NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 D 4.4857 8.3601 120.1892 54.3338 42.2225 175.0018 13 A 4.2335 8.5620 127.3389 50.9988 20.2994 176.7132 14 G 3.8015 8.4559 104.9310 44.2831 0.0000 171.7331 15 I 3.7413 8.3107 119.7650 61.6774 37.6660 175.4907 16 G 4.2187 8.4471 112.5700 43.6574 0.0000 172.6168 17 S 5.0023 8.2617 116.2838 56.1313 66.4546 172.8704 18 W 5.8358 7.8841 116.9660 55.3495 31.3368 173.9003 19 V 4.2966 9.0615 121.0937 61.0981 34.3640 173.9280 20 L 5.1062 8.8133 129.8651 53.7866 43.3456 175.4326 21 H 4.4008 8.8439 125.3355 55.6490 30.2684 175.9772 *23 E 4.1905 8.7152 118.3451 56.7866 30.6941 177.1145 24 S 4.1112 7.9973 112.6808 59.1386 62.6680 175.8722 25 G 3.9926 8.0380 106.0139 45.3529 0.0000 173.7055 26 R 3.9933 7.4933 121.0884 56.4042 31.3462 174.9327 27 L 5.0746 8.1543 127.9012 53.4270 44.1787 175.2082 28 E 4.6437 9.5486 127.3319 55.1379 31.0640 175.3734 29 W 5.5894 8.8036 124.4335 54.7293 31.9643 175.8956 30 S 4.5039 8.7450 118.5382 57.9697 63.8161 175.1727 31 Q 4.0717 9.0488 121.4957 59.2512 28.4375 178.7068 32 A 4.0407 7.9911 121.4968 54.8543 18.3138 179.6079 33 V 3.3327 7.8774 117.0420 66.5450 31.5472 177.8089 34 H 4.1042 8.1157 116.7207 58.6741 28.1330 177.0968 35 D 4.4031 7.9922 120.2477 57.1314 40.5144 178.6720 36 I 3.8548 7.2327 112.3866 63.3050 37.8351 177.5768 37 F 4.1185 8.4069 118.4454 57.1405 39.0623 175.8266 38 G 3.8655 7.6600 105.3390 46.8673 0.0000 173.2820 39 T 4.6791 8.2451 109.3794 59.3898 71.8824 171.8830 40 D 5.0107 8.3485 120.2930 52.1898 42.7741 176.1078 41 S 3.6832 8.8802 121.3401 61.4874 62.2817 176.1649 42 A 3.8905 8.9096 121.2810 54.2599 18.1390 177.8049 43 T 4.5661 7.6720 102.4699 60.6778 69.8719 173.4566 44 F 4.6948 7.7728 125.8136 56.6084 40.4822 176.0319 45 D 3.9419 7.9429 127.5218 55.5417 41.3333 176.4343 46 A 3.4679 5.8000 119.8393 53.0035 16.4508 175.0614 47 T 4.7474 6.4234 114.9215 58.5921 72.8949 173.0953 48 E 3.9978 8.6169 123.9997 59.4417 29.6996 178.4875 49 D 4.5619 8.2501 118.2159 57.5463 40.7452 178.2837 50 A 3.9834 8.0325 119.3325 55.5572 18.4882 178.5308 51 Y 4.3076 7.9677 117.4196 61.0539 38.9259 178.4208 52 F 3.7817 8.1992 118.4711 60.2509 38.7914 177.6341 53 Q 4.1883 8.3483 116.8283 58.0100 28.5553 177.2250 54 R 4.4680 7.6932 117.0164 55.9350 30.9843 176.2187 55 V 4.0212 7.1855 118.7376 60.9984 32.7187 174.8306 56 H 3.8629 8.8175 125.3755 55.9568 30.2060 173.5743 57 P 4.2556 0.0000 0.0000 66.1692 31.0100 177.5381 58 D 4.5621 8.4365 115.7263 55.4634 41.1455 176.6068 59 D 4.9337 8.1776 118.5036 54.2370 42.5903 178.2554 60 R 4.1555 7.6720 118.5918 59.0772 29.9537 178.7789 61 A 3.9162 7.9249 120.0611 55.0955 18.4641 179.0736 62 R 3.8460 8.0959 116.8042 59.8399 29.9657 178.3816 63 V 3.6747 7.9384 117.5105 66.2276 31.5421 177.8784 64 R 4.1044 8.1636 117.6551 59.7437 29.9532 179.2439 65 R 3.9859 8.3056 117.6412 59.3784 29.9189 179.0690 66 E 4.1814 8.5913 118.7457 59.3071 29.4004 179.1470 67 L 4.0674 8.4548 119.5485 58.0637 41.7804 179.0464 68 D 4.5314 8.4691 118.6417 57.7677 40.6916 179.2659 69 R 3.9797 8.6619 119.4341 59.3315 29.8034 178.1675 70 H 4.3576 7.8180 115.4085 58.3320 29.2267 177.7482 71 V 3.9047 8.2628 120.2184 63.8398 31.5147 176.8227 72 L 4.6917 7.9673 115.9968 53.9142 43.6543 176.8303 73 G 4.1583 7.7800 106.5713 43.7022 0.0000 172.5223 74 D 4.6331 8.4145 119.2532 54.0543 41.7418 176.5179 75 R 4.7413 8.4408 124.3481 53.3145 30.4626 173.1984 76 P 4.7108 0.0000 0.0000 63.0404 32.8185 175.4292 77 F 4.8418 8.5059 114.5758 56.5339 41.4580 172.4460 78 D 5.3720 8.7625 118.8294 52.9389 43.4346 176.3362 79 V 4.6047 8.5198 119.9253 61.5989 35.2401 173.5593 80 E 5.5996 8.8254 126.5881 54.2870 31.8222 174.7305 81 Y 4.7198 7.4135 117.8417 56.4742 40.7244 173.2233 82 R 4.9183 8.9313 120.3936 56.0453 31.5966 175.6002 83 I 4.7974 8.9838 115.8579 59.0563 41.4696 174.5765 84 V 4.7763 8.0956 121.0804 59.7253 33.1199 176.0199 85 R 4.1534 9.1638 125.5673 55.1426 30.6517 176.0941 86 P 4.1817 0.0000 0.0000 65.9367 31.3645 177.0293 87 D 4.5971 8.0767 114.8412 53.2776 39.2938 177.2742 88 G 3.9559 8.3268 108.3325 45.6285 0.0000 173.9111 89 Q 4.3256 8.4801 120.1624 55.3215 30.2117 175.0456 90 V 4.6708 8.3124 123.5222 61.8577 33.0539 175.1596 91 R 4.7147 8.8721 126.0886 54.4080 34.0468 174.1109 92 E 4.6540 9.3105 123.5601 55.3753 30.7102 175.7191 93 L 4.8220 8.6117 124.9231 52.6822 44.9947 175.0482 94 L 4.9422 8.9236 125.0444 53.2333 44.6452 174.5701 95 E 5.0056 8.9215 126.6662 54.4167 32.8880 173.9745 96 R 4.7962 8.9815 128.1113 54.8812 32.0910 174.3935 97 N 4.9445 8.7856 124.5578 51.5454 41.5043 173.4067 98 H 4.8514 8.2451 119.2053 53.8448 31.9468 172.6286 99 I 4.7018 8.7134 123.2076 59.8011 40.0123 174.7499 100 Q 4.6706 9.0380 126.0151 54.8408 31.7887 174.6985 101 R 4.9990 8.7644 125.2969 55.1991 32.6880 175.6788 102 Q 4.6597 8.8778 119.2229 54.1735 30.7475 177.1433 103 A 3.6638 8.8774 123.6899 55.5813 18.3957 179.5583 104 S 4.2251 7.9788 110.7368 60.0903 63.2307 174.3475 105 G 4.1404 9.1125 108.8229 45.6761 0.0000 174.2945 106 Q 3.8451 8.2406 120.0691 56.4742 29.2544 176.0679 107 V 4.1853 8.2848 124.8710 61.4264 32.2984 175.2314 108 D 4.5279 9.2144 126.1556 56.9301 41.5365 175.9332 109 H 5.1059 8.1154 113.8795 54.2108 33.5046 172.3192 110 L 5.2660 8.3523 120.7299 53.3900 44.3786 175.3677 111 W 4.5703 7.4900 114.9525 55.6854 31.3038 174.9708 112 G 4.7417 8.4104 106.9600 46.3115 0.0000 171.6097 113 T 4.8705 7.6312 111.1189 60.1097 72.8253 173.7350 114 V 4.9662 8.3553 114.9334 59.7075 35.3506 174.9489 115 I 4.4926 8.9695 125.9447 59.4122 39.8770 175.0910 116 D 4.7921 8.6214 126.5255 54.1754 42.4901 175.2802 *118 T 4.1171 8.1731 117.4960 63.3313 69.7166 174.2017 119 E 4.1316 8.7439 124.3275 56.6850 29.6511 176.5393 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 12 D 8.36 4.49 0.00 2.64 2.63 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 0.00 0.00 0.00 0.00 13 A 8.56 4.23 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 14 G 8.46 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 15 I 8.31 3.74 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.90 0.00 0.00 16 G 8.45 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 0.00 0.00 0.00 17 S 8.26 5.00 0.00 3.69 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 18 W 7.88 5.84 0.00 3.61 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 19 V 9.06 4.30 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 0.60 0.00 0.00 0.82 0.00 0.00 20 L 8.81 5.11 0.00 1.85 1.85 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 21 H 8.84 4.40 0.00 3.24 3.27 0.00 5.70 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *23 E 8.72 4.19 0.00 1.95 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 2.19 2.37 0.00 24 S 8.00 4.11 0.00 3.87 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 25 G 8.04 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 26 R 7.49 3.99 0.00 1.92 1.88 0.00 3.08 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 27 L 8.15 5.07 0.00 1.51 1.35 1.07 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.55 4.64 0.00 2.04 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 2.37 2.42 0.00 29 W 8.80 5.59 0.00 3.11 2.93 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 30 S 8.75 4.50 0.00 3.98 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 31 Q 9.05 4.07 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 32 A 7.99 4.04 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 33 V 7.88 3.33 1.65 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 -1.07 0.00 0.00 0.72 0.00 0.00 34 H 8.12 4.10 0.00 3.46 3.61 0.00 5.95 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 7.99 4.40 0.00 2.92 2.70 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 36 I 7.23 3.85 1.75 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.16 0.89 0.00 0.00 37 F 8.41 4.12 0.00 2.83 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 G 7.66 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 0.00 0.00 0.00 39 T 8.25 4.68 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 1.33 0.00 0.00 40 D 8.35 5.01 0.00 2.73 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 41 S 8.88 3.68 0.00 3.80 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 42 A 8.91 3.89 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 43 T 7.67 4.57 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 1.24 0.00 0.00 44 F 7.77 4.69 0.00 3.18 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 45 D 7.94 3.94 0.00 2.05 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 46 A 5.80 3.47 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 T 6.42 4.75 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 1.10 0.00 0.00 48 E 8.62 4.00 0.00 2.13 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 0.00 2.87 2.51 0.00 49 D 8.25 4.56 0.00 2.75 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 50 A 8.03 3.98 0.95 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 0.00 0.00 51 Y 7.97 4.31 0.00 3.06 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 52 F 8.20 3.78 0.00 3.32 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 4.19 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 54 R 7.69 4.47 0.00 2.23 2.30 0.00 3.54 0.00 0.00 3.37 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.98 0.00 55 V 7.19 4.02 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 0.70 0.00 0.00 0.18 0.00 0.00 56 H 8.82 3.86 0.00 3.18 3.19 0.00 5.74 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.26 0.00 2.26 2.30 0.00 3.43 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 1.94 1.93 0.00 58 D 8.44 4.56 0.00 2.66 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 59 D 8.18 4.93 0.00 2.85 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 60 R 7.67 4.16 0.00 2.03 2.05 0.00 3.17 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.95 0.00 61 A 7.92 3.92 1.32 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 0.00 0.00 62 R 8.10 3.85 0.00 1.92 2.11 0.00 3.22 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 63 V 7.94 3.67 2.32 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 1.31 0.00 0.00 1.05 0.00 0.00 64 R 8.16 4.10 0.00 2.13 1.96 0.00 2.92 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.36 0.00 65 R 8.31 3.99 0.00 2.06 2.02 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 66 E 8.59 4.18 0.00 2.19 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 0.00 2.40 2.61 0.00 67 L 8.45 4.07 0.00 1.96 1.81 1.17 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.47 4.53 0.00 2.87 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 69 R 8.66 3.98 0.00 2.06 2.12 0.00 3.11 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 70 H 7.82 4.36 0.00 3.34 3.40 0.00 5.90 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.26 3.90 2.16 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 0.91 0.00 0.00 0.99 0.00 0.00 72 L 7.97 4.69 0.00 1.77 1.74 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.78 4.16 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 0.00 0.00 0.00 74 D 8.41 4.63 0.00 2.90 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 75 R 8.44 4.74 0.00 1.71 1.83 0.00 3.42 0.00 0.00 3.24 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 76 P 0.00 4.71 0.00 1.85 1.52 0.00 3.54 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.25 0.00 77 F 8.51 4.84 0.00 3.11 3.07 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 0.00 0.00 0.00 0.00 78 D 8.76 5.37 0.00 2.60 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.52 4.60 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 1.13 0.00 0.00 1.11 0.00 0.00 80 E 8.83 5.60 0.00 1.89 1.81 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 2.17 2.11 0.00 81 Y 7.41 4.72 0.00 3.03 3.03 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 82 R 8.93 4.92 0.00 1.78 1.93 0.00 3.17 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 83 I 8.98 4.80 1.95 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 1.31 0.83 1.17 0.00 0.00 84 V 8.10 4.78 2.10 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 0.79 0.00 0.00 0.94 0.00 0.00 85 R 9.16 4.15 0.00 2.08 1.93 0.00 3.30 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 86 P 0.00 4.18 0.00 2.04 2.15 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 87 D 8.08 4.60 0.00 2.79 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 88 G 8.33 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 89 Q 8.48 4.33 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 90 V 8.31 4.67 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 0.80 0.00 0.00 0.94 0.00 0.00 91 R 8.87 4.71 0.00 1.72 1.73 0.00 3.78 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 92 E 9.31 4.65 0.00 1.75 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 2.28 2.26 0.00 93 L 8.61 4.82 0.00 1.02 1.01 0.83 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.92 4.94 0.00 1.63 1.43 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.92 5.01 0.00 2.07 1.94 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 2.13 2.33 0.00 96 R 8.98 4.80 0.00 1.81 1.66 0.00 3.05 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.61 0.00 97 N 8.79 4.94 0.00 1.44 1.92 0.00 0.00 6.38 8.04 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 98 H 8.25 4.85 0.00 1.40 2.02 0.00 5.59 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.71 4.70 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.32 0.98 0.00 0.00 100 Q 9.04 4.67 0.00 2.39 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.65 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 101 R 8.76 5.00 0.00 1.78 1.89 0.00 3.29 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 102 Q 8.88 4.66 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 103 A 8.88 3.66 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 0.00 104 S 7.98 4.23 0.00 3.89 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 0.00 105 G 9.11 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 0.00 0.00 0.00 0.00 106 Q 8.24 3.85 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.04 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 107 V 8.28 4.19 2.13 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 0.77 0.00 0.00 0.99 0.00 0.00 108 D 9.21 4.53 0.00 2.72 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 0.00 109 H 8.12 5.11 0.00 3.28 3.28 0.00 5.84 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.35 5.27 0.00 1.57 1.57 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 111 W 7.49 4.57 0.00 3.43 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 0.00 112 G 8.41 4.74 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 0.00 0.00 0.00 113 T 7.63 4.87 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 1.28 0.00 0.00 114 V 8.36 4.97 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 0.77 0.00 0.00 0.95 0.00 0.00 115 I 8.97 4.49 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.87 0.88 0.00 0.00 116 D 8.62 4.79 0.00 2.66 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 4.12 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 1.20 0.00 0.00 119 E 8.74 4.13 0.00 1.93 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 2.30 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.