NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3230 8.0327 110.9453 61.2149 70.3783 174.5016 6 E 3.8057 8.5873 121.6396 59.2345 29.5812 175.4247 7 E 3.9340 8.3554 118.2905 59.4159 29.8220 178.3727 8 Q 4.3373 8.0352 120.4375 58.5792 28.9102 178.3782 9 I 4.3290 7.5633 119.9934 63.6604 37.5183 178.0188 10 A 4.0974 8.3187 122.0333 54.8895 18.2225 179.6643 11 E 3.9140 8.5205 117.7959 59.7011 29.6905 179.3866 12 F 4.7703 7.7304 117.6138 60.3932 38.9372 177.8017 13 K 3.7295 9.1269 119.9324 59.3759 31.8587 178.3756 14 E 3.8240 8.0509 117.8985 59.2593 29.8089 178.3136 15 A 4.1450 8.4376 120.9111 55.2331 18.3457 178.9566 16 F 3.8115 8.5283 118.0415 61.2705 39.5469 177.1223 17 S 4.3666 8.3173 110.6105 58.7209 63.5659 174.0966 18 L 4.2497 7.8009 122.2203 54.0952 44.2634 176.0709 19 F 4.9328 7.3169 114.9388 55.4285 38.3927 175.3524 20 D 5.6823 7.0980 121.8126 53.5693 42.4161 176.1336 21 K 4.4630 7.7469 122.8038 56.9880 29.4113 175.4418 22 D 4.6573 7.7336 116.5118 52.9118 43.1586 176.6649 23 G 3.8005 7.8482 105.3844 46.2778 0.0000 172.6225 24 D 4.8837 7.4113 117.8744 51.2545 42.3583 176.3628 25 G 3.7802 8.0179 109.7172 43.4250 0.0000 171.6786 26 T 4.4184 8.5892 110.5873 60.9272 71.8395 173.0958 27 I 4.2295 7.7802 121.4329 60.8637 39.6632 175.6645 28 T 4.7939 7.5871 115.0648 60.0687 71.5000 175.3829 29 T 3.9226 8.6530 116.9127 67.1352 67.9278 176.7575 30 K 3.9727 8.0500 119.6530 59.5393 32.0149 178.9593 31 E 3.8631 7.8333 117.3559 58.4647 29.2287 178.8125 32 L 4.1777 8.4065 120.9203 58.3059 42.2630 178.9894 33 G 3.7765 7.6495 104.2171 48.1637 0.0000 175.5045 34 T 3.9007 7.3920 117.7220 65.9896 68.0982 176.4084 35 V 4.1026 7.6529 118.2712 63.6643 31.7842 177.0041 *37 R 4.8750 8.1674 116.8888 55.8784 31.9087 177.2975 38 S 4.2517 7.5553 109.7941 61.0885 63.4756 175.0851 39 L 4.2238 8.3478 121.9385 55.9655 41.9381 177.2863 40 G 4.4547 7.6632 113.9159 46.7305 0.0000 173.0980 41 Q 4.3982 7.1879 119.3305 56.9110 30.9660 173.8110 42 N 4.7559 8.0121 107.0768 53.1950 40.1885 173.0866 43 P 4.4951 0.0000 0.0000 62.0687 31.6775 178.2298 44 T 4.3125 7.6301 112.1175 62.0139 71.4210 174.6708 45 E 4.2434 8.7662 118.3204 58.7929 30.3461 178.4561 46 A 4.3768 7.7678 119.7665 53.9429 19.4372 178.9383 47 E 4.1441 8.3981 116.4641 58.9033 29.6248 177.6036 48 L 4.3771 7.2307 116.1517 55.0665 42.2219 176.2589 49 Q 4.4486 8.3598 117.7251 57.0000 29.6741 174.9904 50 D 4.7549 7.6547 116.7707 54.9905 40.8031 177.6842 *52 I 4.1431 7.0891 120.0550 61.6288 39.5517 177.0694 53 N 4.6109 7.8989 119.2685 53.9657 37.8859 175.6198 54 E 3.8620 7.4881 121.1932 58.5138 29.7201 177.4660 55 V 3.8794 7.9192 120.6780 62.2772 31.5885 177.2318 56 D 4.4729 7.5570 119.7405 52.5261 42.8046 175.0946 57 A 4.0610 8.6192 129.2380 55.2900 20.4003 177.6327 58 D 4.4237 8.3718 115.4519 54.4771 38.9024 179.7796 59 G 5.1149 5.3800 121.6401 46.6405 0.0000 172.7679 60 N 4.8704 7.6626 119.7329 51.9930 42.2629 177.2802 61 G 3.9361 8.3464 108.6423 46.1339 0.0000 173.2866 62 T 5.3029 8.1945 110.2744 60.5065 69.1908 174.7009 63 I 5.1788 8.2156 121.1766 58.4876 38.9549 175.3809 64 D 4.7224 9.2985 127.0930 54.4557 41.7505 177.8231 65 F 3.3629 9.0830 120.8013 61.0951 39.0912 175.4431 66 P 3.5251 0.0000 0.0000 65.0777 31.3972 177.9269 67 E 4.1248 7.9629 117.1478 58.4105 29.4432 177.9442 68 F 4.3719 8.1865 119.6827 59.1155 39.6727 175.6990 69 L 3.9833 8.0705 120.4415 54.6737 42.4597 176.4485 70 T 4.2733 6.7803 107.5270 61.1487 68.9526 174.1097 *81 S 4.1755 8.5247 114.1968 58.1369 63.0904 171.9996 82 E 4.8708 8.1552 128.3890 56.3134 33.2247 175.8752 83 E 4.6153 7.6832 116.3349 56.7368 32.3572 177.8160 84 E 3.9208 8.2622 119.6947 59.2891 29.9675 178.7044 85 I 3.6481 7.7032 118.5625 63.4198 37.4033 177.8698 86 R 3.9815 7.3679 120.4770 59.0118 30.0104 176.8917 87 E 4.0438 8.2229 117.2306 58.3646 30.2765 177.6402 88 A 3.5341 7.1129 120.9690 54.2433 18.3653 177.5016 89 F 4.7827 7.0965 115.3694 56.1560 41.0571 174.0934 *97 N 4.5347 8.6039 125.7437 53.1031 40.3379 174.1075 98 G 4.4108 9.2556 107.4559 44.8857 0.0000 173.6453 99 Y 5.9390 7.9819 113.3789 54.8711 42.1405 174.3015 100 I 4.7674 8.1516 113.5047 58.9781 40.5132 176.3662 101 S 4.7892 9.0149 119.2770 60.8720 62.8158 175.2123 *115 K 4.0066 7.6242 116.3711 57.0287 32.9488 175.4612 116 L 4.4079 8.9785 121.6320 55.1380 42.6001 173.8262 117 T 4.7239 8.7468 113.4728 59.0557 73.0511 174.5712 118 D 4.3339 8.7404 123.0580 57.9534 40.6659 178.9391 119 E 4.1265 8.0618 118.8966 58.8637 29.6882 178.3972 120 E 4.5140 7.5260 119.6366 58.5739 29.3031 179.1031 121 V 3.3746 7.8888 117.8501 66.1876 31.6953 177.3236 122 D 4.5243 8.2896 118.6118 57.4481 40.6021 179.0290 123 E 3.9011 7.4641 115.8428 57.8479 29.6893 178.9355 *125 I 4.1473 7.6709 121.1591 61.4007 39.0933 177.3331 126 R 4.0733 8.2485 119.1323 58.7453 29.5425 176.9299 127 E 3.8126 7.5552 118.1049 57.5324 30.0621 175.4823 128 A 4.0341 8.1005 127.6902 51.4576 18.8105 176.5748 129 D 4.3476 8.7767 122.4306 55.0482 41.2485 176.5140 130 I 3.9436 8.2440 127.7604 61.4798 38.0604 176.5610 131 D 4.5279 9.7170 122.4498 54.6707 40.7447 177.6439 132 G 3.9690 8.0000 104.8085 46.4755 0.0000 174.2617 133 D 4.6883 8.0915 117.4159 54.0861 43.2457 175.8902 134 G 3.6843 8.0738 104.8900 45.0684 0.0000 173.2026 135 Q 5.5308 7.8803 119.7291 54.1483 31.3050 174.7107 136 V 4.8165 8.3770 120.0335 61.5380 35.6355 172.1624 137 N 4.1434 8.7394 122.3295 53.4820 38.2159 175.1499 138 Y 3.8446 8.4168 124.0798 59.9494 38.3669 178.2793 139 E 3.9969 6.9032 118.8032 57.4505 29.3635 177.5889 140 E 4.0783 8.3482 118.7697 59.0008 29.4063 178.2088 141 F 4.7133 7.3030 115.5311 59.3858 39.4462 177.7776 142 V 4.4542 8.0770 109.9964 61.8676 32.6911 176.4093 143 Q 4.2787 7.3447 119.7516 54.5379 27.4614 174.3582 *146 T 4.3995 8.0170 112.2042 60.9181 71.0485 174.6749 147 A 4.1561 7.7457 127.9668 52.4253 19.0389 175.4973 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 5 T 8.03 4.32 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 6 E 8.59 3.81 0.00 2.15 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 2.40 2.49 0.00 7 E 8.36 3.93 0.00 2.07 1.97 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 2.39 2.43 0.00 8 Q 8.04 4.34 0.00 2.11 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 9 I 7.56 4.33 2.14 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 1.68 0.96 1.14 0.00 0.00 10 A 8.32 4.10 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 11 E 8.52 3.91 0.00 1.87 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 2.26 2.43 0.00 12 F 7.73 4.77 0.00 3.46 3.41 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 13 K 9.13 3.73 0.00 2.05 2.04 0.00 0.77 0.00 0.00 0.87 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.37 7.81 14 E 8.05 3.82 0.00 2.24 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 2.28 2.31 0.00 15 A 8.44 4.14 1.68 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 0.00 0.00 16 F 8.53 3.81 0.00 3.01 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 17 S 8.32 4.37 0.00 3.71 3.77 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 18 L 7.80 4.25 0.00 1.38 0.13 0.73 0.06 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 19 F 7.32 4.93 0.00 2.99 2.88 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 20 D 7.10 5.68 0.00 2.38 2.24 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 0.00 21 K 7.75 4.46 0.00 1.72 1.73 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.46 7.81 22 D 7.73 4.66 0.00 2.70 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 23 G 7.85 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 0.00 0.00 0.00 24 D 7.41 4.88 0.00 2.88 2.59 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 25 G 8.02 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 26 T 8.59 4.42 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 27 I 7.78 4.23 1.77 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.21 0.12 0.00 0.00 28 T 7.59 4.79 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 1.22 0.00 0.00 29 T 8.65 3.92 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 30 K 8.05 3.97 0.00 1.77 1.86 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.48 7.81 31 E 7.83 3.86 0.00 2.30 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 0.00 2.33 2.30 0.00 32 L 8.41 4.18 0.00 1.84 2.00 1.29 1.16 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 33 G 7.65 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 34 T 7.39 3.90 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 0.54 0.00 0.00 35 V 7.65 4.10 2.45 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 1.07 0.00 0.00 1.01 0.00 0.00 *37 R 8.17 4.88 0.00 1.76 1.97 0.00 3.22 0.00 0.00 3.70 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.77 0.00 38 S 7.56 4.25 0.00 4.16 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 39 L 8.35 4.22 0.00 2.03 1.96 1.55 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.66 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 41 Q 7.19 4.40 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.01 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 42 N 8.01 4.76 0.00 2.62 2.67 0.00 0.00 6.86 7.69 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 43 P 0.00 4.50 0.00 2.09 1.98 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 44 T 7.63 4.31 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 1.26 0.00 0.00 45 E 8.77 4.24 0.00 1.96 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 0.00 2.26 2.43 0.00 46 A 7.77 4.38 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 47 E 8.40 4.14 0.00 2.02 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 2.34 2.25 0.00 48 L 7.23 4.38 0.00 1.66 1.73 0.97 0.72 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 49 Q 8.36 4.45 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 7.24 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 50 D 7.65 4.75 0.00 2.69 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 *52 I 7.09 4.14 1.89 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 1.51 0.88 0.94 0.00 0.00 53 N 7.90 4.61 0.00 2.83 2.94 0.00 0.00 5.95 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 54 E 7.49 3.86 0.00 1.97 1.79 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 2.36 2.27 0.00 55 V 7.92 3.88 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 0.83 0.00 0.00 0.89 0.00 0.00 56 D 7.56 4.47 0.00 2.79 2.44 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 57 A 8.62 4.06 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 58 D 8.37 4.42 0.00 2.81 2.18 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 59 G 5.38 5.11 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 60 N 7.66 4.87 0.00 2.80 2.78 0.00 0.00 6.96 7.58 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 61 G 8.35 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 0.00 0.00 0.00 62 T 8.19 5.30 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 1.30 0.00 0.00 63 I 8.22 5.18 2.01 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.01 1.05 0.00 0.00 64 D 9.30 4.72 0.00 2.80 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 65 F 9.08 3.36 0.00 2.81 2.96 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 66 P 0.00 3.53 0.00 2.03 2.04 0.00 3.77 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 2.05 2.19 0.00 67 E 7.96 4.12 0.00 2.26 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 0.00 2.39 2.38 0.00 68 F 8.19 4.37 0.00 3.07 2.88 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 69 L 8.07 3.98 0.00 0.70 1.12 0.42 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 70 T 6.78 4.27 4.12 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 1.15 0.00 0.00 *81 S 8.52 4.18 0.00 3.89 3.87 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 0.00 0.00 0.00 82 E 8.16 4.87 0.00 1.91 1.88 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 2.09 2.21 0.00 83 E 7.68 4.62 0.00 2.03 1.92 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 2.29 2.25 0.00 84 E 8.26 3.92 0.00 1.98 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 2.32 2.29 0.00 85 I 7.70 3.65 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 1.31 1.23 0.91 0.00 0.00 86 R 7.37 3.98 0.00 1.81 2.13 0.00 3.29 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.87 0.00 87 E 8.22 4.04 0.00 1.90 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 88 A 7.11 3.53 0.15 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 0.00 0.00 0.00 0.00 0.00 0.00 89 F 7.10 4.78 0.00 3.57 3.45 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 *97 N 8.60 4.53 0.00 2.75 2.94 0.00 0.00 7.41 7.98 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 98 G 9.26 4.41 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 0.00 99 Y 7.98 5.94 0.00 2.90 3.04 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 0.00 100 I 8.15 4.77 2.08 0.00 0.00 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 1.85 0.90 1.05 0.00 0.00 101 S 9.01 4.79 0.00 3.93 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 *115 K 7.62 4.01 0.00 1.80 1.82 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.40 7.81 116 L 8.98 4.41 0.00 1.73 2.01 1.05 0.79 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 0.00 117 T 8.75 4.72 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 0.00 118 D 8.74 4.33 0.00 2.72 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 0.00 119 E 8.06 4.13 0.00 1.94 1.98 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 2.28 2.26 0.00 120 E 7.53 4.51 0.00 2.27 1.92 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 2.30 2.14 0.00 121 V 7.89 3.37 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 0.67 0.00 0.00 0.87 0.00 0.00 122 D 8.29 4.52 0.00 2.81 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 0.00 123 E 7.46 3.90 0.00 2.11 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 2.31 2.51 0.00 *125 I 7.67 4.15 1.98 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.64 0.92 0.00 0.00 126 R 8.25 4.07 0.00 1.93 1.99 0.00 3.16 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 127 E 7.56 3.81 0.00 1.95 1.88 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 2.32 2.33 0.00 128 A 8.10 4.03 1.28 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 0.00 0.00 129 D 8.78 4.35 0.00 2.64 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 0.00 130 I 8.24 3.94 1.92 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 1.42 1.48 1.01 0.00 0.00 131 D 9.72 4.53 0.00 2.71 2.67 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 0.00 0.00 0.00 0.00 132 G 8.00 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 0.00 133 D 8.09 4.69 0.00 2.81 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 0.00 134 G 8.07 3.68 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 0.00 0.00 0.00 135 Q 7.88 5.53 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.07 0.00 136 V 8.38 4.82 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 1.04 0.00 0.00 1.25 0.00 0.00 137 N 8.74 4.14 0.00 2.59 2.34 0.00 0.00 6.59 7.48 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 0.00 138 Y 8.42 3.84 0.00 3.28 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 0.00 139 E 6.90 4.00 0.00 1.24 1.42 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 2.14 2.27 0.00 140 E 8.35 4.08 0.00 1.68 1.74 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 2.16 2.09 0.00 141 F 7.30 4.71 0.00 3.24 2.40 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 0.00 142 V 8.08 4.45 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 1.18 0.00 0.00 1.08 0.00 0.00 143 Q 7.34 4.28 0.00 2.30 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 *146 T 8.02 4.40 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 1.33 0.00 0.00 147 A 7.75 4.16 1.22 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.