NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 I 3.9700 7.8833 120.7981 61.4910 37.9815 174.9071 15 L 3.8115 8.6067 127.0128 53.7366 39.1814 171.7054 16 E 4.0668 8.6738 120.9791 57.2798 31.3092 175.6663 17 L 4.9227 8.5306 124.8713 53.1044 45.2134 175.5877 18 V 4.4035 8.5130 121.0055 60.4445 33.7143 173.4057 19 P 4.3210 0.0000 0.0000 62.6007 31.6463 176.2489 20 L 4.3284 8.1054 123.0673 55.4037 42.5124 175.9349 21 S 4.4340 7.0183 110.9894 56.4606 65.2589 172.0290 22 P 4.3045 0.0000 0.0000 65.8725 30.8058 176.6976 23 T 4.8502 7.9292 112.5120 63.0443 70.7630 173.7667 24 S 5.4355 7.2860 116.7898 57.2375 67.9849 172.8259 25 F 5.2752 9.0587 119.4222 56.4476 43.7748 173.5943 26 V 5.1225 8.6917 122.1855 60.8033 34.8834 174.8184 27 T 4.2288 8.5966 116.7833 62.2045 68.5167 174.2487 28 K 4.0352 8.4751 126.7533 58.6601 32.8281 176.0863 29 Y 4.9550 9.1145 114.7972 55.4775 40.9282 174.1367 30 L 5.1433 8.5327 119.8077 53.6461 43.1132 173.8680 *39 G 3.9630 7.8740 106.5963 46.0270 0.0000 175.3039 40 T 4.1068 8.0297 118.5225 65.4240 68.5067 176.2171 41 F 4.4392 8.3396 122.9191 61.1918 39.6041 176.9173 42 G 3.8511 8.4399 105.0544 48.0914 0.0000 175.6904 43 G 3.6986 7.9987 107.8893 47.3267 0.0000 176.0535 44 T 3.8104 7.8016 118.1000 66.5432 68.5426 176.7338 45 L 3.5989 7.3727 121.0400 57.6183 41.3359 179.9585 46 V 3.5855 7.2874 117.8220 65.9750 31.4446 177.9949 47 S 4.0454 7.7441 114.8052 62.0678 62.7297 177.0261 48 Q 3.7500 8.0662 120.7119 58.6883 28.3568 178.9231 49 S 3.7552 7.8533 115.4358 61.0381 63.0857 176.3625 50 L 3.9900 8.0267 124.1569 57.6954 41.5625 178.9469 51 L 3.8202 7.7095 118.3137 57.4794 41.8629 178.7219 52 A 3.1548 7.8433 121.3526 55.1597 18.2489 179.9929 53 S 4.1105 7.8846 112.2750 61.4507 62.8684 176.5105 54 L 4.0243 7.8003 121.6004 57.2671 41.4026 178.1130 55 H 4.6267 7.6525 114.3388 56.4212 29.0404 175.6317 56 T 4.4835 7.5213 109.9799 61.1572 69.4841 174.4978 57 V 4.1454 7.0239 114.6740 58.5774 34.7353 173.5423 58 P 4.4409 0.0000 0.0000 62.0956 32.0576 177.1891 59 L 3.8680 8.6119 121.7407 58.5017 41.9965 178.0516 60 N 4.9544 8.0265 114.2200 53.2811 39.7882 174.1534 61 F 4.9328 7.8846 118.0469 55.7840 40.8787 175.5571 62 F 5.2641 9.0587 122.2949 54.5117 42.8154 172.9296 63 P 4.2434 0.0000 0.0000 63.6264 30.9211 175.9231 64 T 4.4914 8.6790 114.2294 63.2783 70.4555 174.7612 65 S 4.6142 7.5135 114.0752 57.1686 66.4460 173.1330 66 L 5.0181 7.8871 121.4439 54.0830 45.3267 174.8821 67 H 4.6938 9.3212 121.9343 54.4494 32.4563 172.3273 68 S 4.8980 8.5187 119.2788 56.6106 65.8883 173.2878 69 Y 4.3879 8.2842 121.7725 56.0351 40.3762 175.0750 70 F 4.4318 9.1716 123.9589 57.4834 38.7067 175.2536 71 I 4.2921 8.5657 125.0522 63.1398 38.1224 176.7506 72 K 4.7175 8.2051 118.3487 54.7007 36.3100 176.7350 73 G 3.8643 9.0670 112.6948 45.8843 0.0000 172.8297 74 G 4.4464 9.0511 109.4925 42.5953 0.0000 171.8292 75 D 4.7533 8.4179 118.4794 50.7338 40.8136 174.9912 76 P 4.3514 0.0000 0.0000 64.8862 32.0770 176.0741 77 R 4.5341 7.2934 113.7873 55.9650 33.0443 173.9243 78 T 4.6981 7.9982 119.1135 61.1146 71.8301 174.6138 79 K 4.2247 8.5904 124.3569 56.6552 33.0056 176.1554 80 I 4.6112 8.7495 122.7547 59.9596 39.9056 174.6675 81 T 4.9610 8.3835 123.2439 62.1119 70.8912 172.8667 82 Y 5.2819 9.3775 124.9384 56.7062 40.3648 174.3455 83 H 5.5301 9.2333 121.8606 54.1105 31.5297 173.6821 84 V 4.8407 8.8114 123.5673 61.4920 32.9217 174.8005 85 Q 4.8375 9.2743 127.1859 54.0746 32.1774 174.1669 86 N 4.9697 8.6683 120.3335 53.1344 39.5322 174.4099 87 L 4.4939 9.8753 125.1131 54.0220 44.0199 175.8600 88 R 4.7422 7.5705 126.7357 55.9118 31.8659 173.2597 89 N 4.4257 8.1268 123.9602 52.1480 40.0715 174.0458 90 G 3.6172 6.2842 107.9019 44.0839 0.0000 176.2907 91 R 2.9381 6.4047 110.8433 53.1724 33.3719 175.5894 92 N 5.3146 8.0609 110.7341 51.7930 41.2723 173.4604 93 F 6.2905 7.9324 113.8758 54.7814 42.2246 173.3122 94 I 4.5529 8.7927 119.7416 59.8474 40.7658 173.8090 95 H 5.3562 9.1473 126.8348 54.8371 31.4405 173.0940 96 K 5.1670 9.3509 126.3550 55.0344 34.6827 175.3375 97 Q 5.1295 8.8659 124.9277 54.3898 31.6246 174.2186 98 V 5.1425 9.0167 126.6014 61.1839 34.3858 174.1316 99 S 5.3143 9.4555 122.7391 56.4935 65.9935 172.7565 100 A 5.0669 9.0711 124.0728 50.4015 21.8107 174.9675 101 Y 5.1748 8.6314 118.1150 56.2712 42.4610 174.5510 102 Q 4.7108 8.5987 121.3581 54.8070 32.5737 175.5142 103 H 3.9757 9.3052 120.3337 57.4208 25.9116 174.9732 104 D 4.4308 8.5164 114.8054 54.8255 38.8635 173.5826 105 K 4.6740 7.9772 119.5737 54.0433 33.9275 175.5184 106 L 3.7666 8.6050 125.6371 55.4409 42.4985 176.1200 107 I 4.2791 8.4135 127.5717 63.2009 39.1757 175.7282 108 F 5.1194 7.5116 120.4164 57.5637 42.6514 173.0006 109 T 5.2548 7.9031 113.8310 60.3010 72.5183 172.7608 110 S 5.2811 9.1579 118.7020 57.2865 67.4247 172.7037 111 M 5.1043 9.0712 123.1435 53.9186 34.0265 174.9963 112 I 4.8259 8.9585 124.8148 59.4128 40.6385 174.5111 113 L 5.3015 8.8279 126.8887 53.1037 44.4687 175.5372 114 F 5.5176 9.5308 120.5642 55.8220 43.1032 173.9353 115 A 5.7556 9.1730 122.7704 49.1999 22.8868 175.2576 116 V 4.3532 8.1136 118.3883 61.5720 32.6344 175.8466 117 Q 4.1811 8.5425 123.8695 57.6530 29.7646 176.2146 118 R 4.2024 7.8522 119.2923 56.6133 29.8027 176.0589 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 14 I 7.88 3.97 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.29 0.94 0.00 0.00 15 L 8.61 3.81 0.00 1.83 1.86 0.89 0.68 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 16 E 8.67 4.07 0.00 2.20 1.85 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 2.34 2.37 0.00 17 L 8.53 4.92 0.00 1.65 1.75 0.65 0.97 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 18 V 8.51 4.40 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 0.95 0.00 0.00 0.87 0.00 0.00 19 P 0.00 4.32 0.00 1.93 1.79 0.00 3.70 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 2.00 2.19 0.00 20 L 8.11 4.33 0.00 1.49 1.63 0.90 1.07 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 21 S 7.02 4.43 0.00 3.84 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 22 P 0.00 4.30 0.00 2.18 2.22 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 23 T 7.93 4.85 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 1.32 0.00 0.00 24 S 7.29 5.44 0.00 3.64 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 25 F 9.06 5.28 0.00 3.15 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 26 V 8.69 5.12 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 1.18 0.00 0.00 0.95 0.00 0.00 27 T 8.60 4.23 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 1.41 0.00 0.00 28 K 8.48 4.04 0.00 1.61 1.64 0.00 1.50 0.00 0.00 1.34 0.00 0.00 2.71 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.30 0.95 7.81 29 Y 9.11 4.96 0.00 3.04 2.78 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 30 L 8.53 5.14 0.00 1.83 1.82 1.10 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 *39 G 7.87 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 40 T 8.03 4.11 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 1.25 0.00 0.00 41 F 8.34 4.44 0.00 3.10 3.14 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 42 G 8.44 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 0.00 0.00 0.00 43 G 8.00 3.70 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 0.00 44 T 7.80 3.81 4.34 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 1.19 0.00 0.00 45 L 7.37 3.60 0.00 0.37 0.13 -0.15 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.29 3.59 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 1.11 0.00 0.00 1.09 0.00 0.00 47 S 7.74 4.05 0.00 4.06 3.84 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 48 Q 8.07 3.75 0.00 1.87 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 49 S 7.85 3.76 0.00 4.16 4.35 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 50 L 8.03 3.99 0.00 1.79 1.88 0.92 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 51 L 7.71 3.82 0.00 1.58 1.55 0.85 0.99 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 52 A 7.84 3.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.88 4.11 0.00 4.26 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 54 L 7.80 4.02 0.00 1.78 1.68 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 55 H 7.65 4.63 0.00 3.20 3.46 0.00 5.63 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.52 4.48 4.21 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 1.38 0.00 0.00 57 V 7.02 4.15 1.58 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 -0.11 0.00 0.00 0.56 0.00 0.00 58 P 0.00 4.44 0.00 2.53 2.05 0.00 3.03 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 59 L 8.61 3.87 0.00 1.58 1.74 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.03 4.95 0.00 2.55 2.71 0.00 0.00 6.95 8.13 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 61 F 7.88 4.93 0.00 2.93 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 62 F 9.06 5.26 0.00 3.10 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 63 P 0.00 4.24 0.00 1.89 1.56 0.00 4.12 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 64 T 8.68 4.49 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 1.29 0.00 0.00 65 S 7.51 4.61 0.00 3.76 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 66 L 7.89 5.02 0.00 1.48 1.38 0.86 0.87 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 67 H 9.32 4.69 0.00 3.11 3.14 0.00 5.61 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.52 4.90 0.00 3.55 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 69 Y 8.28 4.39 0.00 2.74 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 70 F 9.17 4.43 0.00 2.86 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 71 I 8.57 4.29 1.92 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 1.49 0.75 0.93 0.00 0.00 72 K 8.21 4.72 0.00 1.68 1.74 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.50 7.81 73 G 9.07 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 0.00 0.00 0.00 74 G 9.05 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.42 4.75 0.00 2.72 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 76 P 0.00 4.35 0.00 2.17 2.08 0.00 3.55 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.76 0.00 77 R 7.29 4.53 0.00 1.74 1.85 0.00 3.14 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 78 T 8.00 4.70 4.32 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 1.11 0.00 0.00 79 K 8.59 4.22 0.00 1.75 1.76 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.48 7.81 80 I 8.75 4.61 1.76 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 1.21 0.72 0.23 0.00 0.00 81 T 8.38 4.96 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 1.13 0.00 0.00 82 Y 9.38 5.28 0.00 3.07 2.95 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 83 H 9.23 5.53 0.00 3.31 3.28 0.00 5.59 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.81 4.84 2.26 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 0.84 0.00 0.00 1.12 0.00 0.00 85 Q 9.27 4.84 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 86 N 8.67 4.97 0.00 2.71 2.69 0.00 0.00 6.92 7.78 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 87 L 9.88 4.49 0.00 1.59 1.54 0.80 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 88 R 7.57 4.74 0.00 1.90 2.02 0.00 3.30 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.42 0.00 89 N 8.13 4.43 0.00 2.59 2.45 0.00 0.00 6.87 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 90 G 6.28 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 91 R 6.40 2.94 0.00 2.05 2.14 0.00 3.23 0.00 0.00 3.37 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 92 N 8.06 5.31 0.00 2.80 2.91 0.00 0.00 6.34 8.13 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 93 F 7.93 6.29 0.00 3.29 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 94 I 8.79 4.55 1.86 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.43 0.77 0.00 0.00 95 H 9.15 5.36 0.00 3.52 3.44 0.00 5.67 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 9.35 5.17 0.00 1.97 1.83 0.00 1.82 0.00 0.00 1.60 0.00 0.00 2.60 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.45 1.50 7.81 97 Q 8.87 5.13 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 98 V 9.02 5.14 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 1.22 0.00 0.00 1.09 0.00 0.00 99 S 9.46 5.31 0.00 3.74 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 0.00 100 A 9.07 5.07 1.02 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 0.00 101 Y 8.63 5.17 0.00 2.96 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 0.00 102 Q 8.60 4.71 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.21 0.00 0.00 0.00 0.00 0.00 2.46 2.30 0.00 103 H 9.31 3.98 0.00 3.36 3.44 0.00 5.87 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.52 4.43 0.00 2.84 2.77 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 0.00 105 K 7.98 4.67 0.00 2.00 1.77 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.56 7.81 106 L 8.60 3.77 0.00 1.43 1.52 0.47 0.98 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 0.00 107 I 8.41 4.28 1.94 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 1.35 0.72 0.97 0.00 0.00 108 F 7.51 5.12 0.00 2.93 2.66 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 0.00 109 T 7.90 5.25 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 1.16 0.00 0.00 110 S 9.16 5.28 0.00 3.83 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 0.00 111 M 9.07 5.10 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.77 0.00 112 I 8.96 4.83 2.04 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 1.23 0.92 0.46 0.00 0.00 113 L 8.83 5.30 0.00 1.43 1.55 0.85 0.70 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 0.00 114 F 9.53 5.52 0.00 3.22 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 0.00 115 A 9.17 5.76 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 0.00 116 V 8.11 4.35 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 0.48 0.00 0.00 0.81 0.00 0.00 117 Q 8.54 4.18 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 5.71 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 118 R 7.85 4.20 0.00 1.96 1.96 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.