NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 K 4.1318 8.3149 121.7880 57.4430 33.8643 176.5862 9 K 4.3433 7.1061 121.7796 57.9322 29.6122 174.4477 10 G 3.9852 8.4869 116.4428 45.8336 0.0000 171.0080 11 S 4.5486 7.4752 124.7326 57.6500 63.2118 171.0622 12 K 3.9658 8.9857 126.7392 56.3040 32.6637 172.0541 13 K 3.6331 8.5830 127.0696 56.1376 31.9034 174.6187 *22 D 4.2956 8.5700 121.3540 54.7780 40.9833 174.7221 23 G 3.9164 8.5306 111.0781 45.4829 0.0000 171.5134 24 K 3.6218 8.5405 117.2598 56.9515 28.2437 176.5031 25 K 3.8707 8.0097 116.5135 56.9431 31.8875 178.1453 26 R 3.9659 9.0485 116.8750 57.0234 27.3590 173.5812 27 R 3.4609 7.8122 121.7667 53.7070 29.8081 175.7867 28 K 4.1816 8.4194 126.8947 55.9640 33.0146 176.3108 29 T 4.0750 8.2587 116.0372 60.9743 69.4806 174.4805 30 R 3.8487 8.5151 122.4380 55.9856 29.9838 175.7631 31 K 4.3066 8.4293 123.7229 54.3703 32.6196 175.4522 32 E 4.2982 8.4146 124.7549 56.0722 30.6905 175.4731 33 S 4.4594 7.8020 112.7574 56.8679 65.6960 174.3164 34 Y 4.6343 9.2941 117.0891 58.0624 37.6661 177.3752 35 A 4.1091 8.0421 124.2828 55.6395 18.4565 180.0519 36 I 3.5936 7.5231 110.5342 64.0440 37.6188 177.9214 37 Y 4.1997 7.3954 118.1832 60.7773 37.8918 177.6909 38 V 3.7258 8.4743 119.7004 66.3014 31.6150 177.4216 39 Y 3.9149 8.4994 119.5283 60.6028 38.4691 178.1507 40 K 3.9935 8.1281 119.4528 59.5338 32.1658 179.5433 41 V 3.7821 7.9766 118.4951 65.7291 31.4662 177.6122 42 L 3.8653 8.0802 120.4121 58.3976 41.9696 179.3161 43 K 4.0306 7.7743 117.9738 59.3146 31.6278 179.4634 44 Q 4.0775 7.4902 117.9797 58.7434 28.7091 178.3673 45 V 4.0316 7.5535 112.0240 62.5307 33.4581 176.4394 46 H 4.8889 8.6040 115.6307 52.5872 29.6360 171.5357 47 P 4.3262 0.0000 0.0000 64.3217 31.6210 177.1469 48 D 4.8881 8.0150 114.5827 54.0972 41.1512 175.5253 49 T 4.4865 7.8560 116.4340 61.7897 70.2150 174.7249 50 G 4.1796 8.3080 114.9372 44.1365 0.0000 172.0978 51 I 4.5662 7.8931 117.9339 58.2730 41.0029 175.5728 52 S 4.4818 8.5597 122.5430 57.9668 65.1415 175.4578 53 S 4.1297 8.5432 117.7019 61.5768 62.7188 176.7894 54 K 3.9744 8.0360 121.5364 59.1985 31.7960 179.0154 55 A 4.0480 7.9677 120.7479 55.2441 18.2196 179.3871 56 M 4.0231 8.3943 117.2388 58.7554 32.2776 178.4342 57 S 4.1274 8.3972 113.7712 61.2443 62.4580 176.1604 58 I 3.7319 7.8997 122.5489 64.8316 36.8221 178.3220 59 M 4.1837 8.3822 119.6638 58.3952 31.7552 178.3949 60 N 4.4762 8.5762 117.4739 56.8336 39.0696 177.1770 61 S 4.1999 8.2248 116.6807 61.4004 62.8703 176.4099 62 F 4.1945 8.5770 123.5535 61.3801 39.1670 177.2491 63 V 3.0907 8.0599 118.0452 66.0456 31.1935 177.7260 64 N 4.3367 8.2142 116.1004 56.1566 38.3027 176.9829 65 D 4.2772 8.3504 119.7828 57.4438 41.3441 178.5167 66 V 3.4733 7.5726 118.8309 65.6228 31.3901 177.5394 67 F 3.8544 8.2260 120.5778 61.4932 39.1532 176.9987 68 E 4.1235 8.6209 118.0807 59.4354 29.2594 179.6935 69 R 3.8655 8.3921 118.4567 59.2854 30.0873 179.2066 70 I 3.5762 7.9344 119.6574 64.3419 37.0249 178.4051 71 A 3.8334 8.0749 122.1395 54.8732 18.0947 179.9701 72 G 3.4552 8.2400 104.4929 47.9471 0.0000 175.8127 73 E 3.8982 8.1459 121.0808 59.0049 29.3968 179.3225 74 A 3.8633 8.1167 121.0160 54.9955 18.3287 179.4555 75 S 3.9181 8.1445 111.8106 61.6680 62.4869 176.6340 76 R 3.4564 7.7567 120.4123 58.9810 29.7582 178.8946 77 L 3.7907 7.7717 118.5926 57.7716 41.6347 179.4345 78 A 3.9297 8.0471 120.6905 55.6070 18.2677 179.4258 79 H 4.1135 8.1783 114.7203 59.2923 28.5554 177.6600 80 Y 4.4601 8.1823 117.7785 60.5547 37.6688 177.5382 81 N 4.8042 7.7427 114.2719 51.5758 39.5310 174.9147 82 K 3.8782 8.0502 118.6078 57.9279 30.3039 175.3729 83 R 4.6466 8.2926 116.3218 54.6187 32.6284 176.7160 84 S 4.5661 8.5798 114.9498 58.2073 63.6883 173.7073 85 T 4.4710 7.5537 117.6941 61.9343 70.7356 173.2724 86 I 4.0904 8.3232 127.5824 60.4868 37.9376 175.8637 87 T 4.5595 9.0839 117.3764 59.6609 72.4032 175.2187 88 S 4.1654 8.3633 114.7412 61.1586 62.7959 176.2548 89 R 3.8790 7.9691 123.0628 59.3447 29.7445 178.1918 90 E 4.0005 8.0466 118.0895 59.1236 29.4536 179.1642 91 I 3.6007 7.6275 119.8244 64.2572 37.1887 178.1113 92 Q 3.9206 8.2984 120.7202 59.6639 28.8734 178.6565 93 T 3.8730 7.9523 116.4474 66.4799 68.3787 176.5401 94 A 3.9521 8.1527 122.8763 55.1428 18.2575 179.8603 95 V 3.4921 8.0903 117.0403 66.2855 31.3932 178.5739 96 R 3.9178 7.7399 116.6894 59.1011 29.9125 178.7893 97 L 4.1332 7.8713 118.2952 57.5528 41.7252 178.7734 98 L 4.1313 8.0871 119.5033 56.3589 42.5860 176.9776 99 L 4.5249 7.4721 118.0336 52.6538 43.1609 174.7702 100 P 4.3668 0.0000 0.0000 63.1684 33.3852 179.4593 101 G 3.1059 8.0640 102.9655 45.0186 0.0000 177.1064 102 E 3.9373 8.9593 120.6234 59.0561 30.2440 178.3825 103 L 4.0148 7.9159 118.3632 57.7876 41.8098 179.2149 104 A 3.9825 8.0719 120.6731 54.9601 18.4138 179.7430 105 K 3.8432 8.0171 116.9905 60.1747 32.1995 179.3504 106 H 4.3565 8.3492 116.0792 58.5105 28.5094 177.7913 107 A 3.9987 8.3536 123.1019 55.1257 18.1565 179.7963 108 V 3.4977 8.2582 117.1804 66.0773 31.4981 178.0861 109 S 4.0782 7.9351 112.3930 61.6150 62.2839 176.0745 110 E 4.0654 8.3777 121.3210 59.2899 29.1819 179.6598 111 G 3.5792 8.4291 106.1354 48.0257 0.0000 175.9720 112 T 3.8649 8.2058 118.6756 66.2010 68.5299 176.5808 113 K 3.8581 8.3123 121.5408 59.6035 32.0794 178.6228 114 A 4.0354 8.1497 120.9372 55.1534 18.3216 179.8471 115 V 3.5902 7.8996 116.8374 66.3731 31.3821 178.4021 116 T 3.9127 8.0140 114.9001 66.3720 68.5091 176.2746 117 K 4.0779 8.1775 121.4574 59.7768 32.4003 177.9333 118 Y 4.0782 8.3583 120.4172 61.0277 38.4597 177.7857 119 T 4.2885 7.9911 107.6315 62.6678 69.4689 175.8294 120 S 4.3706 7.9907 116.2525 58.2099 63.9831 173.5177 121 A 4.5433 6.8010 124.3027 51.6948 20.7974 177.1054 122 K 4.1545 8.6035 118.9657 56.6269 31.5130 176.5794 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 8 K 8.31 4.13 0.00 1.73 1.90 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.47 7.81 9 K 7.11 4.34 0.00 1.89 1.72 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.44 7.81 10 G 8.49 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 11 S 7.48 4.55 0.00 4.01 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 12 K 8.99 3.97 0.00 2.04 2.15 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.53 7.81 13 K 8.58 3.63 0.00 1.96 1.79 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 *22 D 8.57 4.30 0.00 2.69 2.69 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 0.00 0.00 0.00 23 G 8.53 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 24 K 8.54 3.62 0.00 1.90 1.88 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.49 7.81 25 K 8.01 3.87 0.00 1.72 1.79 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.48 7.81 26 R 9.05 3.97 0.00 1.84 2.07 0.00 3.08 0.00 0.00 3.80 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 27 R 7.81 3.46 0.00 2.01 1.83 0.00 3.35 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 28 K 8.42 4.18 0.00 1.75 1.67 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.41 1.41 7.81 29 T 8.26 4.07 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 1.20 0.00 0.00 30 R 8.52 3.85 0.00 1.91 1.97 0.00 2.98 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 31 K 8.43 4.31 0.00 1.68 1.74 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.43 7.81 32 E 8.41 4.30 0.00 2.01 1.86 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 2.16 2.09 0.00 33 S 7.80 4.46 0.00 4.11 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 34 Y 9.29 4.63 0.00 3.23 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 35 A 8.04 4.11 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 36 I 7.52 3.59 1.58 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.36 0.72 0.00 0.00 37 Y 7.40 4.20 0.00 3.44 3.17 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 38 V 8.47 3.73 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 1.17 0.00 0.00 1.16 0.00 0.00 39 Y 8.50 3.91 0.00 3.26 3.13 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 0.00 40 K 8.13 3.99 0.00 2.18 1.93 0.00 1.87 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.71 7.81 41 V 7.98 3.78 2.25 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 1.01 0.00 0.00 1.03 0.00 0.00 42 L 8.08 3.87 0.00 1.69 1.57 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.77 4.03 0.00 1.87 1.77 0.00 1.51 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.17 1.47 7.81 44 Q 7.49 4.08 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 45 V 7.55 4.03 1.91 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 0.74 0.00 0.00 0.96 0.00 0.00 46 H 8.60 4.89 0.00 3.03 3.09 0.00 5.65 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.33 0.00 2.02 2.13 0.00 3.70 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.23 0.00 48 D 8.02 4.89 0.00 2.64 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 49 T 7.86 4.49 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 1.16 0.00 0.00 50 G 8.31 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 0.00 0.00 0.00 0.00 51 I 7.89 4.57 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.85 1.06 0.00 0.00 52 S 8.56 4.48 0.00 4.10 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 53 S 8.54 4.13 0.00 4.08 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 0.00 54 K 8.04 3.97 0.00 1.83 1.91 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.51 7.81 55 A 7.97 4.05 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 56 M 8.39 4.02 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.64 0.00 57 S 8.40 4.13 0.00 3.94 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 58 I 7.90 3.73 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.78 0.93 0.00 0.00 59 M 8.38 4.18 0.00 2.13 2.33 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.91 0.00 60 N 8.58 4.48 0.00 3.05 3.02 0.00 0.00 7.18 7.67 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 61 S 8.22 4.20 0.00 4.21 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 62 F 8.58 4.19 0.00 3.11 3.28 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 0.00 63 V 8.06 3.09 1.72 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 -0.04 0.00 0.00 0.90 0.00 0.00 64 N 8.21 4.34 0.00 2.89 2.88 0.00 0.00 6.70 7.39 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 65 D 8.35 4.28 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 66 V 7.57 3.47 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 0.84 0.00 0.00 0.33 0.00 0.00 67 F 8.23 3.85 0.00 3.15 3.18 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 0.00 68 E 8.62 4.12 0.00 2.25 2.05 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 2.53 2.79 0.00 69 R 8.39 3.87 0.00 1.89 1.93 0.00 3.11 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 70 I 7.93 3.58 1.71 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.66 0.76 0.00 0.00 71 A 8.07 3.83 0.88 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 0.00 0.00 72 G 8.24 3.46 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 0.00 73 E 8.15 3.90 0.00 2.10 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 0.00 2.44 2.43 0.00 74 A 8.12 3.86 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 75 S 8.14 3.92 0.00 3.92 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 76 R 7.76 3.46 0.00 1.89 1.18 0.00 3.15 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.51 0.00 77 L 7.77 3.79 0.00 1.82 1.67 0.92 1.32 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 78 A 8.05 3.93 1.30 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 79 H 8.18 4.11 0.00 3.17 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 8.18 4.46 0.00 3.01 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 81 N 7.74 4.80 0.00 2.81 2.85 0.00 0.00 7.12 8.23 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 82 K 8.05 3.88 0.00 1.87 1.87 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.15 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.47 7.81 83 R 8.29 4.65 0.00 1.79 1.77 0.00 3.30 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 84 S 8.58 4.57 0.00 3.94 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 85 T 7.55 4.47 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 1.19 0.00 0.00 86 I 8.32 4.09 1.81 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 1.39 0.44 0.83 0.00 0.00 87 T 9.08 4.56 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 1.19 0.00 0.00 88 S 8.36 4.17 0.00 4.03 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 0.00 89 R 7.97 3.88 0.00 1.91 1.94 0.00 3.08 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 90 E 8.05 4.00 0.00 2.20 1.91 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 2.34 2.41 0.00 91 I 7.63 3.60 1.94 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 1.54 0.90 0.82 0.00 0.00 92 Q 8.30 3.92 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 93 T 7.95 3.87 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 1.21 0.00 0.00 94 A 8.15 3.95 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 95 V 8.09 3.49 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 0.94 0.00 0.00 96 R 7.74 3.92 0.00 1.97 1.97 0.00 3.21 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 97 L 7.87 4.13 0.00 1.79 1.73 0.94 0.86 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 98 L 8.09 4.13 0.00 1.61 1.73 0.91 0.93 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 99 L 7.47 4.52 0.00 1.66 1.58 0.94 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.37 0.00 2.22 2.18 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 101 G 8.06 3.11 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 0.00 102 E 8.96 3.94 0.00 1.99 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 2.39 2.35 0.00 103 L 7.92 4.01 0.00 1.90 1.75 0.96 0.95 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 0.00 104 A 8.07 3.98 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 0.00 105 K 8.02 3.84 0.00 1.89 1.79 0.00 1.86 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.75 7.81 106 H 8.35 4.36 0.00 3.19 3.31 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.35 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.26 3.50 2.25 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 1.07 0.00 0.00 0.94 0.00 0.00 109 S 7.94 4.08 0.00 3.99 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 0.00 110 E 8.38 4.07 0.00 2.17 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 2.45 2.49 0.00 111 G 8.43 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 0.00 0.00 0.00 112 T 8.21 3.86 4.38 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 1.22 0.00 0.00 113 K 8.31 3.86 0.00 1.89 2.01 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 114 A 8.15 4.04 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 0.00 115 V 7.90 3.59 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 1.06 0.00 0.00 0.91 0.00 0.00 116 T 8.01 3.91 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 0.00 117 K 8.18 4.08 0.00 1.95 2.03 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.47 7.81 118 Y 8.36 4.08 0.00 3.21 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 0.00 119 T 7.99 4.29 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 1.40 0.00 0.00 120 S 7.99 4.37 0.00 4.03 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 0.00 121 A 6.80 4.54 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 0.00 122 K 8.60 4.15 0.00 1.72 2.14 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.21 1.22 7.81 * Residues marked with a * may have inaccurate shift predictions.