NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 Q 4.3108 8.4445 119.6878 51.8202 32.0461 178.0564 *12 R 4.1928 7.8350 116.5861 55.0763 27.5096 177.9928 13 K 4.6607 8.5751 116.6088 55.5016 35.3662 175.4758 14 V 3.6118 8.1992 121.5047 62.5598 31.5370 176.0845 15 V 3.6409 8.3485 128.0474 62.7090 31.8948 176.1595 16 S 4.3380 8.5937 121.6731 57.6810 64.2684 174.0518 17 W 4.2872 9.0660 135.0000 60.9123 30.4061 178.1264 18 I 3.4143 8.1167 112.3967 64.5607 36.6746 177.2947 19 D 4.3843 7.9801 120.1373 56.2711 40.6136 178.7094 20 V 3.4676 7.4389 118.2001 66.0679 31.8485 177.2573 21 Y 3.7430 7.8459 119.3088 60.8785 38.1822 177.4291 22 T 3.7698 8.1142 116.8831 66.7591 69.1330 176.0849 23 R 4.2067 8.2982 118.8119 55.0017 29.6989 177.5675 24 A 4.3206 7.4859 116.7580 53.1216 22.7472 176.6787 25 T 4.4285 7.0519 107.5282 60.2772 71.5930 173.4259 26 C 5.4059 8.7510 121.6571 56.7831 44.5947 172.2011 27 Q 4.8409 8.2461 123.5533 53.5557 32.1829 172.0613 28 P 4.8309 0.0000 0.0000 63.0054 31.9892 175.6945 29 R 4.7385 9.3120 120.0361 54.1697 33.7914 174.1252 30 E 4.5365 8.8122 120.5293 56.7419 30.6151 175.9691 31 V 4.5237 8.6654 124.5968 60.8323 35.1041 174.5244 32 V 4.1921 8.3827 127.0122 62.4393 32.3287 175.3572 33 V 4.2124 9.2149 130.6323 60.5685 32.6697 173.0296 34 P 4.6389 0.0000 0.0000 61.9481 31.9440 177.1112 35 L 4.5483 7.8765 126.1713 55.0991 40.5652 177.7689 36 T 4.2005 7.9459 114.4185 63.9912 68.5302 175.5226 37 V 3.7360 8.2066 116.3073 65.2016 31.9548 177.4235 *38 E 4.3053 7.6975 114.7341 55.2307 30.9117 177.1318 39 L 4.1736 8.4546 117.3375 57.1234 42.1512 177.2421 40 M 4.8145 8.4671 124.2352 53.6747 32.2445 174.3823 41 G 3.8161 7.9577 110.6788 47.5730 0.0000 172.5013 *42 T 3.7019 7.0519 107.5786 60.8723 69.9512 175.6591 43 V 3.9137 8.3800 119.6788 62.5779 31.4537 173.4616 44 A 3.7759 7.5869 129.3970 53.5497 18.5428 179.4019 *45 K 4.4478 7.3130 124.1442 55.1929 35.8722 170.3407 46 Q 4.7638 7.7772 115.0282 55.8822 33.3618 175.0780 47 L 4.6412 8.5063 121.6836 54.7586 43.1470 176.7111 48 V 4.4758 9.2208 122.4845 60.4480 34.4804 173.3552 49 P 4.7614 0.0000 0.0000 62.4188 32.4587 175.6055 50 S 4.8508 8.3667 113.5625 58.2219 64.1386 172.8938 51 C 4.8692 7.5267 111.8341 58.4465 31.6545 173.0646 52 V 4.6154 8.7310 113.1629 60.0508 35.9915 174.4155 53 T 5.2620 8.4334 119.0230 61.9630 70.3585 174.4363 54 V 4.5077 8.3856 124.8216 59.9171 35.6142 173.8685 55 Q 4.5196 8.6177 124.8478 55.7500 29.9849 175.0033 56 R 4.7739 9.0877 125.3779 54.1565 34.9329 174.0927 57 C 4.5934 9.3581 120.4916 58.0336 41.6577 173.3025 58 G 3.9104 9.1633 110.0407 45.1390 0.0000 171.4549 59 G 4.3994 9.3645 105.3638 45.7303 0.0000 172.0949 60 C 4.8129 7.8191 112.3547 56.3234 31.6724 173.5188 61 C 4.6679 8.3914 119.5841 55.2204 41.2046 172.6246 62 P 4.3694 0.0000 0.0000 65.8303 30.6813 175.8865 63 D 4.7407 7.5813 116.0187 51.8220 42.3884 175.6317 64 D 4.4353 8.6526 118.3292 55.8849 39.8142 177.8565 65 G 3.7586 8.5635 108.2478 48.6174 0.0000 173.7006 66 L 5.3162 7.8113 119.6249 53.0869 43.1870 176.4051 67 E 4.6545 9.2817 121.2719 54.7908 32.9094 174.5442 68 C 4.9631 8.7071 121.7549 55.8235 40.3310 172.8219 69 V 4.7158 8.3534 119.7850 58.3904 34.7723 173.7112 70 P 4.8888 0.0000 0.0000 63.1962 31.8300 176.1442 71 T 4.5331 8.7730 111.0923 61.4931 70.2773 174.2367 72 G 4.2880 7.6674 108.7441 45.5962 0.0000 172.5065 73 Q 5.2767 8.6088 122.1721 55.5262 32.6037 172.6927 74 H 4.8799 9.2799 114.0217 54.7792 32.4201 172.4352 75 Q 5.4371 8.5081 117.7497 54.7216 30.0871 176.2103 76 V 4.3098 8.2149 116.3952 59.5723 34.0425 175.0274 77 R 4.7342 8.5770 125.7821 56.0490 31.0337 176.2353 78 M 4.7505 9.1914 124.2750 53.1376 35.5049 175.1545 79 Q 4.3298 8.9111 123.4895 56.3051 29.5709 175.8855 80 I 4.5849 8.6306 124.8852 59.2714 41.0242 174.2485 81 L 4.5831 8.5752 128.9716 54.4028 43.5937 175.1488 82 M 4.8998 8.1399 125.7065 53.2242 32.8371 175.4993 83 I 3.8767 8.6206 120.7895 60.8548 38.7435 176.7422 *84 R 4.7363 7.9102 121.9402 57.4796 33.9449 171.3867 85 Y 4.8681 8.7772 119.4195 57.4862 39.8762 172.3013 86 P 4.8277 0.0000 0.0000 64.0748 33.1702 175.6578 87 S 4.5661 7.8171 119.9205 55.3337 61.3310 173.5005 88 S 4.3653 8.3581 122.5082 58.4861 63.6183 174.6661 89 Q 4.7883 8.3269 121.1235 53.8996 31.6234 174.8626 90 L 4.5548 8.4425 121.6911 54.6606 43.5656 176.0417 91 G 4.4755 9.2679 114.1201 45.0373 0.0000 171.0132 92 E 5.3284 8.6278 118.1846 55.2646 34.0553 174.8896 93 M 4.7723 8.2799 115.4905 54.6350 34.7910 173.6971 94 S 5.7611 8.5364 115.8020 56.4842 66.3813 173.3303 95 L 4.7134 8.2823 122.8531 54.3677 46.4887 175.2221 96 E 4.9040 8.7617 117.9303 55.4708 31.3296 170.7566 97 E 4.5235 9.1294 127.9331 54.5347 31.6907 174.3335 98 H 5.4319 9.1119 123.8714 54.5629 30.1567 174.4583 99 S 4.6166 9.3709 118.4445 59.9405 64.4008 174.5285 100 Q 4.7672 7.9249 117.6429 53.8947 33.0972 174.8172 101 C 5.6298 8.4393 117.6034 55.7115 44.8156 172.5736 102 E 4.7850 9.1037 115.8531 55.8275 32.8630 174.3309 103 C 5.0261 8.8291 119.1221 56.7794 37.1743 173.1857 104 R 4.8567 8.7150 123.6191 53.3906 32.9300 174.2749 105 P 4.8055 0.0000 0.0000 62.2216 32.1450 176.6873 106 K 4.1213 8.5070 123.9389 56.3986 32.5071 177.9062 107 K 3.9380 8.6747 125.2017 59.5865 32.4911 177.9127 *108 K 4.1215 7.9291 123.9112 54.6902 32.3269 179.1614 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 11 Q 8.44 4.31 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 5.99 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 *12 R 7.84 4.19 0.00 1.97 1.50 0.00 3.22 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.28 0.00 13 K 8.58 4.66 0.00 1.71 1.73 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.33 7.81 14 V 8.20 3.61 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 0.79 0.00 0.00 0.95 0.00 0.00 15 V 8.35 3.64 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 0.81 0.00 0.00 0.93 0.00 0.00 16 S 8.59 4.34 0.00 3.97 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 17 W 9.07 4.29 0.00 3.47 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 18 I 8.12 3.41 1.88 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 1.76 0.69 1.04 0.00 0.00 19 D 7.98 4.38 0.00 2.83 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.44 3.47 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 0.77 0.00 0.00 1.01 0.00 0.00 21 Y 7.85 3.74 0.00 1.79 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 0.00 0.00 0.00 22 T 8.11 3.77 4.33 0.00 0.00 0.00 0.00 0.00 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 23 R 8.30 4.21 0.00 1.69 1.86 0.00 3.23 0.00 0.00 3.19 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 24 A 7.49 4.32 1.18 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 25 T 7.05 4.43 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 0.49 0.00 0.00 26 C 8.75 5.41 0.00 2.97 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 27 Q 8.25 4.84 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 28 P 0.00 4.83 0.00 2.15 2.19 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.11 0.00 29 R 9.31 4.74 0.00 1.78 1.98 0.00 2.91 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 30 E 8.81 4.54 0.00 1.90 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 2.38 2.24 0.00 31 V 8.67 4.52 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 0.92 0.00 0.00 0.98 0.00 0.00 32 V 8.38 4.19 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 0.79 0.00 0.00 0.92 0.00 0.00 33 V 9.21 4.21 2.06 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 0.88 0.00 0.00 0.90 0.00 0.00 34 P 0.00 4.64 0.00 1.97 1.97 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 35 L 7.88 4.55 0.00 1.49 1.66 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.95 4.20 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 37 V 8.21 3.74 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 0.92 0.00 0.00 *38 E 7.70 4.31 0.00 1.99 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 0.00 2.23 1.90 0.00 39 L 8.45 4.17 0.00 1.62 1.65 0.92 0.74 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 40 M 8.47 4.81 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 41 G 7.96 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 *42 T 7.05 3.70 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 43 V 8.38 3.91 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 0.78 0.00 0.00 0.97 0.00 0.00 44 A 7.59 3.78 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 *45 K 7.31 4.45 0.00 1.89 1.66 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.14 0.75 7.81 46 Q 7.78 4.76 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.96 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 47 L 8.51 4.64 0.00 1.51 1.59 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 48 V 9.22 4.48 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 1.00 0.00 0.00 0.93 0.00 0.00 49 P 0.00 4.76 0.00 2.26 2.04 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 50 S 8.37 4.85 0.00 3.91 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 51 C 7.53 4.87 0.00 2.93 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 52 V 8.73 4.62 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 0.82 0.00 0.00 0.98 0.00 0.00 53 T 8.43 5.26 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 1.20 0.00 0.00 54 V 8.39 4.51 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 0.60 0.00 0.00 0.87 0.00 0.00 55 Q 8.62 4.52 0.00 2.27 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 56 R 9.09 4.77 0.00 1.62 1.67 0.00 3.26 0.00 0.00 2.82 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.66 0.00 57 C 9.36 4.59 0.00 2.90 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 58 G 9.16 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 59 G 9.36 4.40 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 0.00 60 C 7.82 4.81 0.00 3.07 2.86 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 61 C 8.39 4.67 0.00 3.13 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 62 P 0.00 4.37 0.00 2.08 2.21 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 63 D 7.58 4.74 0.00 2.96 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 64 D 8.65 4.44 0.00 2.79 2.86 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 65 G 8.56 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 0.00 0.00 0.00 66 L 7.81 5.32 0.00 1.56 1.60 0.94 0.79 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 67 E 9.28 4.65 0.00 1.96 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 2.32 2.21 0.00 68 C 8.71 4.96 0.00 2.98 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 V 8.35 4.72 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 0.67 0.00 0.00 0.97 0.00 0.00 70 P 0.00 4.89 0.00 1.90 1.65 0.00 3.65 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 1.89 1.76 0.00 71 T 8.77 4.53 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 72 G 7.67 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 0.00 0.00 0.00 0.00 73 Q 8.61 5.28 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.68 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 74 H 9.28 4.88 0.00 3.14 3.40 0.00 5.25 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 8.51 5.44 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.17 0.00 76 V 8.21 4.31 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 0.88 0.00 0.00 0.93 0.00 0.00 77 R 8.58 4.73 0.00 1.70 1.88 0.00 3.15 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 78 M 9.19 4.75 0.00 1.86 1.92 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 2.71 2.48 0.00 79 Q 8.91 4.33 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.68 0.00 0.00 0.00 0.00 0.00 2.78 2.40 0.00 80 I 8.63 4.58 1.87 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 1.11 1.25 0.94 0.00 0.00 81 L 8.58 4.58 0.00 1.79 1.69 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 82 M 8.14 4.90 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 83 I 8.62 3.88 1.88 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 1.22 0.83 0.92 0.00 0.00 *84 R 7.91 4.74 0.00 1.86 1.63 0.00 3.25 0.00 0.00 3.15 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.95 0.00 85 Y 8.78 4.87 0.00 2.85 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 86 P 0.00 4.83 0.00 2.23 2.56 0.00 3.92 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.20 0.00 87 S 7.82 4.57 0.00 3.85 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 88 S 8.36 4.37 0.00 4.20 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 89 Q 8.33 4.79 0.00 1.74 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.99 0.00 0.00 0.00 0.00 0.00 2.26 1.89 0.00 90 L 8.44 4.55 0.00 1.65 1.58 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 91 G 9.27 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 0.00 0.00 0.00 0.00 92 E 8.63 5.33 0.00 1.80 1.80 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 2.20 2.22 0.00 93 M 8.28 4.77 0.00 2.11 2.10 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 2.48 2.50 0.00 94 S 8.54 5.76 0.00 3.73 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 95 L 8.28 4.71 0.00 1.50 1.50 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.76 4.90 0.00 1.71 1.75 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 2.11 1.83 0.00 97 E 9.13 4.52 0.00 1.84 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 2.23 2.46 0.00 98 H 9.11 5.43 0.00 2.99 3.16 0.00 5.71 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 9.37 4.62 0.00 3.84 4.03 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 0.00 0.00 0.00 100 Q 7.92 4.77 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 101 C 8.44 5.63 0.00 2.78 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 0.00 102 E 9.10 4.78 0.00 1.93 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 2.16 2.25 0.00 103 C 8.83 5.03 0.00 2.89 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 0.00 104 R 8.72 4.86 0.00 1.72 1.79 0.00 3.12 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 105 P 0.00 4.81 0.00 1.94 1.98 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 106 K 8.51 4.12 0.00 1.76 1.75 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.63 1.51 7.81 107 K 8.67 3.94 0.00 1.74 1.87 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.43 7.81 *108 K 7.93 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.