NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 K 4.2797 8.2993 120.1441 55.9150 32.6223 174.6462 *11 P 4.1406 0.0000 0.0000 61.8386 34.4292 176.3034 12 L 4.7586 7.5494 121.1413 54.1032 44.0358 174.7798 13 M 4.9335 9.0246 126.2067 53.3876 35.9885 175.1945 14 V 4.8336 8.1565 119.6216 61.1515 35.2126 174.4345 15 K 4.9701 8.9129 126.1424 54.6282 35.9996 175.3504 16 V 4.8206 8.9392 124.5739 61.0543 34.7856 174.1841 17 L 5.0587 8.9004 126.7730 52.8944 45.9565 174.8613 18 D 5.2414 8.9645 121.5403 52.7379 42.5373 176.5719 19 A 4.3058 9.3709 128.6732 53.7127 18.5226 178.4573 20 V 3.9172 8.8076 115.3800 64.7323 31.9630 177.0042 21 R 4.3545 8.4675 115.8093 55.2056 31.3773 175.7959 22 G 3.9600 8.0473 105.6891 45.9391 0.0000 172.5896 23 S 4.7509 7.3563 111.3045 55.8731 67.2576 172.9015 24 P 4.6139 0.0000 0.0000 62.7578 31.9869 176.5925 25 A 4.3333 8.7450 125.2223 50.3820 19.1219 176.5323 26 V 4.0528 8.3517 121.4623 63.3831 33.0159 175.5218 27 D 4.5343 8.6521 125.4923 55.0062 38.7944 174.0302 28 V 3.8513 7.8744 120.7646 62.4008 32.5545 175.1306 29 A 4.6275 8.6533 130.4878 51.8718 19.7821 175.9357 30 V 4.8067 9.0573 122.6840 60.8941 34.9660 174.4160 31 K 4.8267 8.8760 126.3214 54.4866 35.6627 175.1309 32 V 4.8167 8.8852 124.8612 61.1496 34.1581 174.3607 33 F 5.4632 9.4575 125.2933 55.5754 43.2514 173.7047 34 K 4.7218 9.0363 122.6234 54.2557 34.7430 175.2328 35 K 4.1633 8.6543 129.5033 56.3582 33.0877 176.6936 36 T 4.3274 8.2772 117.4325 59.9657 70.7189 175.8812 37 S 4.0448 8.4235 117.4067 61.5575 62.7542 176.0011 38 E 3.9416 7.8902 116.3132 57.3721 29.6833 177.4639 39 G 3.7810 7.7201 107.6115 44.7591 0.0000 173.5504 40 S 4.4352 7.4868 114.7444 56.8745 65.5058 173.2731 41 W 5.0325 8.4476 121.4898 55.8249 29.8340 175.5215 42 E 4.9750 9.0615 123.3873 53.5822 31.9919 173.8283 43 P 4.4194 0.0000 0.0000 63.6726 31.4682 175.1245 44 F 4.8676 8.7777 124.9024 59.5194 41.6144 174.7496 45 A 4.5625 7.6946 117.2529 51.4446 22.2972 174.9833 46 S 4.8044 7.8626 112.2805 57.8596 66.0394 174.4349 47 G 4.0179 8.0618 106.3239 46.2820 0.0000 171.7377 48 K 5.2700 8.5752 120.0203 54.4072 35.6673 177.0374 49 T 4.2127 8.5515 116.3154 61.8217 70.2564 174.8310 50 A 4.5510 8.4687 127.0900 51.2433 20.5323 177.6345 51 E 3.9536 8.7498 115.6384 59.6815 29.4593 178.7982 52 S 4.1721 7.9979 111.3616 58.8920 63.6478 175.1946 53 G 3.9021 8.4149 110.1202 44.9374 0.0000 172.5341 54 E 5.0756 7.9417 119.3079 54.3450 32.7707 174.7464 55 L 4.9679 9.1135 124.7066 53.7537 44.5920 175.0121 56 H 4.9313 8.9149 122.6959 54.5732 32.0919 174.0773 57 G 3.8513 8.7540 107.1150 46.3924 0.0000 174.9975 58 L 3.9883 7.9108 121.3248 57.4816 41.7245 176.5890 59 T 4.4425 7.1792 109.4204 61.3220 70.2823 171.5735 60 T 4.7861 8.0672 110.3040 59.4100 71.9125 174.2812 61 D 4.5405 8.9002 121.9299 57.8292 41.1090 178.3981 62 E 4.1741 8.3012 117.1427 59.4299 29.5564 178.4367 63 K 4.3007 7.7260 115.5183 58.2890 32.6953 177.7669 64 F 4.9804 8.1053 123.0670 57.0116 37.4995 174.9604 65 V 4.0997 7.5248 117.7698 59.3867 33.2088 175.5925 66 E 4.0585 8.6151 121.9313 56.4814 29.8750 176.4193 67 G 3.7155 7.6932 113.0516 46.4858 0.0000 170.8355 68 V 4.6742 7.1559 119.3872 61.5386 33.1784 174.2145 69 Y 5.1698 8.7947 125.3393 56.0602 41.7667 174.6075 70 R 4.6779 8.8966 122.3924 54.5402 33.0775 174.0864 71 V 4.7274 9.0466 127.4863 61.2809 33.7140 173.8048 72 E 4.9881 9.3645 129.7954 54.4154 32.0808 174.3512 73 L 4.7544 8.7591 128.1041 53.6813 43.1383 176.6896 74 D 5.2720 8.9977 125.5008 53.7516 38.2883 176.6458 75 T 3.9635 7.9079 114.8782 63.8625 69.4427 176.6312 76 K 4.1043 8.1603 122.0980 59.7810 32.3902 178.8543 77 S 4.2138 8.2865 114.8432 61.4688 62.3347 176.1021 78 Y 3.9400 7.7139 121.7931 60.6223 38.4893 178.3074 79 W 4.2519 8.0933 119.7856 59.7117 29.1602 178.8073 80 K 4.2474 8.2407 119.8556 59.2027 31.2124 179.5367 81 T 3.9267 7.7779 115.4294 66.1482 68.3502 175.6111 82 L 4.4335 7.1019 117.2881 54.1720 41.6962 177.1392 83 G 3.9162 7.9406 106.6963 46.1915 0.0000 173.5588 84 I 4.4342 8.0933 120.3871 59.0899 39.5642 175.3066 85 S 4.3857 8.6656 121.8537 56.9727 62.3360 172.2517 86 P 4.3490 0.0000 0.0000 61.0599 33.0299 176.2420 87 F 3.8532 8.1707 120.9122 61.2255 39.3026 175.5832 88 H 4.4274 7.8300 115.7727 54.8600 29.5918 175.4672 89 E 3.9562 8.3753 122.3824 59.2951 29.4855 176.4265 90 F 4.8135 6.8729 110.2708 57.0463 40.6911 173.0385 91 A 4.4918 8.5439 120.3257 50.2865 20.8473 175.1086 92 D 5.2006 8.9701 122.2915 53.5446 43.0263 176.5646 93 V 4.4861 8.9487 122.2498 61.2355 34.3867 174.1926 94 V 5.1210 8.5477 127.9089 61.1766 33.8595 174.4112 95 F 5.0797 8.6859 120.8867 56.1951 41.5407 173.1045 96 T 4.8066 8.7673 117.3592 63.1615 69.2641 173.9775 97 A 4.7412 9.0180 127.8845 50.4886 22.4122 175.7282 98 N 4.8858 9.6143 115.8050 53.2186 36.8551 175.7827 99 D 4.6841 8.3336 118.1686 55.3350 40.7173 176.3358 100 S 4.5477 7.8131 113.3939 56.4402 62.9752 174.1384 101 G 4.0184 7.9091 107.5660 46.0800 0.0000 171.2766 102 H 4.8724 8.4344 117.2463 55.6634 29.2395 175.3633 103 R 4.7061 8.9707 122.3893 54.6085 33.7563 174.1783 104 H 5.2167 8.3136 115.8513 54.6569 31.0012 173.6488 105 Y 5.0939 9.4068 120.9651 56.4259 41.1419 174.6927 106 T 4.8939 8.9805 120.5314 61.8515 71.8231 173.1501 107 I 4.6245 8.6792 127.8312 59.8931 38.7171 174.5417 108 A 5.2973 8.8628 129.7092 50.4056 21.4869 175.4738 109 A 5.1301 8.9938 121.6791 50.1785 23.4168 174.8319 110 L 5.0466 9.2264 123.6932 53.2901 44.8717 174.9679 111 L 5.4325 9.1111 126.7582 53.3553 44.1927 175.8698 112 S 5.2001 9.4644 118.7788 55.9937 67.1081 173.3028 113 P 3.0982 0.0000 0.0000 65.2594 31.0346 177.7567 114 Y 4.7400 7.8000 111.4529 57.3240 38.7441 175.0233 115 S 4.7418 8.1023 114.1390 57.2841 65.7353 172.4120 116 Y 5.5185 7.8165 122.8465 55.6876 41.1240 173.8113 117 S 4.9051 9.1227 115.1234 56.9121 65.7859 172.6410 118 T 5.2660 8.4873 119.1798 60.8707 70.3852 172.8521 119 T 4.8326 9.0597 123.7679 61.6815 72.9134 172.4320 120 A 5.0414 8.5972 125.9923 50.2443 21.2588 175.9408 121 V 4.2385 8.6421 123.2556 61.1080 33.6459 174.5986 122 V 4.6936 8.3670 127.6984 60.9093 33.8766 175.2005 123 S 4.2618 8.5653 121.9939 58.5138 62.6865 173.8235 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 9 K 8.30 4.28 0.00 1.77 1.87 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.46 7.81 *11 P 0.00 4.14 0.00 2.10 2.59 0.00 3.52 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 12 L 7.55 4.76 0.00 0.63 1.11 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.02 4.93 0.00 1.81 1.82 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 2.42 2.33 0.00 14 V 8.16 4.83 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 0.92 0.00 0.00 0.89 0.00 0.00 15 K 8.91 4.97 0.00 1.68 1.60 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.30 7.81 16 V 8.94 4.82 1.89 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 0.79 0.00 0.00 0.81 0.00 0.00 17 L 8.90 5.06 0.00 1.60 1.52 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.96 5.24 0.00 2.72 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 19 A 9.37 4.31 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 0.00 0.00 0.00 0.00 0.00 20 V 8.81 3.92 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 0.93 0.00 0.00 1.01 0.00 0.00 21 R 8.47 4.35 0.00 1.92 2.02 0.00 3.46 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.04 0.00 22 G 8.05 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 23 S 7.36 4.75 0.00 3.88 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 24 P 0.00 4.61 0.00 2.04 2.18 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00 25 A 8.74 4.33 0.66 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 0.00 0.00 26 V 8.35 4.05 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 0.86 0.00 0.00 1.07 0.00 0.00 27 D 8.65 4.53 0.00 2.93 2.85 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 28 V 7.87 3.85 1.89 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 0.72 0.00 0.00 0.39 0.00 0.00 29 A 8.65 4.63 1.24 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 0.00 0.00 30 V 9.06 4.81 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 0.92 0.00 0.00 0.92 0.00 0.00 31 K 8.88 4.83 0.00 1.66 1.16 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.19 1.27 7.81 32 V 8.89 4.82 2.31 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 1.21 0.00 0.00 0.95 0.00 0.00 33 F 9.46 5.46 0.00 2.81 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 34 K 9.04 4.72 0.00 1.42 1.57 0.00 1.23 0.00 0.00 1.47 0.00 0.00 2.60 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.90 0.21 7.81 35 K 8.65 4.16 0.00 0.79 1.19 0.00 1.45 0.00 0.00 1.33 0.00 0.00 2.28 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.81 0.21 7.81 36 T 8.28 4.33 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 1.19 0.00 0.00 37 S 8.42 4.04 0.00 3.82 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 38 E 7.89 3.94 0.00 2.01 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 2.20 2.21 0.00 39 G 7.72 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 40 S 7.49 4.44 0.00 3.84 3.90 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 41 W 8.45 5.03 0.00 3.00 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 42 E 9.06 4.97 0.00 2.14 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 0.00 2.39 2.39 0.00 43 P 0.00 4.42 0.00 1.98 2.01 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.27 0.00 44 F 8.78 4.87 0.00 3.06 3.24 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 45 A 7.69 4.56 1.08 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 0.00 0.00 0.00 0.00 0.00 46 S 7.86 4.80 0.00 3.83 3.65 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 47 G 8.06 4.02 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 0.00 48 K 8.58 5.27 0.00 1.69 1.60 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.19 1.38 7.81 49 T 8.55 4.21 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 1.11 0.00 0.00 50 A 8.47 4.55 1.29 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 51 E 8.75 3.95 0.00 1.96 2.04 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 2.31 2.25 0.00 52 S 8.00 4.17 0.00 3.98 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 G 8.41 3.90 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 0.00 54 E 7.94 5.08 0.00 1.98 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 2.21 2.39 0.00 55 L 9.11 4.97 0.00 1.62 1.40 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.91 4.93 0.00 2.97 3.14 0.00 6.00 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.75 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 58 L 7.91 3.99 0.00 1.55 1.68 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.18 4.44 4.19 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 1.10 0.00 0.00 60 T 8.07 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 1.20 0.00 0.00 61 D 8.90 4.54 0.00 2.70 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 62 E 8.30 4.17 0.00 1.98 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 2.34 2.43 0.00 63 K 7.73 4.30 0.00 1.90 2.00 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.42 7.81 64 F 8.11 4.98 0.00 3.13 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 65 V 7.52 4.10 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 0.83 0.00 0.00 0.97 0.00 0.00 66 E 8.62 4.06 0.00 2.01 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 2.24 2.38 0.00 67 G 7.69 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.16 4.67 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 1.19 0.00 0.00 0.84 0.00 0.00 69 Y 8.79 5.17 0.00 1.89 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.90 4.68 0.00 0.67 0.76 0.00 2.21 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.10 0.00 71 V 9.05 4.73 2.22 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 0.97 0.00 0.00 1.12 0.00 0.00 72 E 9.36 4.99 0.00 1.92 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 1.99 1.99 0.00 73 L 8.76 4.75 0.00 1.51 1.46 0.81 0.67 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 74 D 9.00 5.27 0.00 2.77 2.58 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 75 T 7.91 3.96 4.47 0.00 0.00 0.00 0.00 0.00 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 76 K 8.16 4.10 0.00 2.20 1.93 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.57 7.81 77 S 8.29 4.21 0.00 4.04 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 78 Y 7.71 3.94 0.00 2.90 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 79 W 8.09 4.25 0.00 3.52 3.30 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 80 K 8.24 4.25 0.00 1.92 1.89 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.55 7.81 81 T 7.78 3.93 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 1.15 0.00 0.00 82 L 7.10 4.43 0.00 1.79 1.68 0.26 0.73 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 83 G 7.94 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 84 I 8.09 4.43 2.27 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.36 0.77 0.00 0.00 85 S 8.67 4.39 0.00 3.88 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 86 P 0.00 4.35 0.00 2.20 2.03 0.00 3.77 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.17 0.00 87 F 8.17 3.85 0.00 1.89 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 88 H 7.83 4.43 0.00 3.26 3.39 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.38 3.96 0.00 1.21 1.78 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 2.05 2.02 0.00 90 F 6.87 4.81 0.00 3.01 3.01 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 91 A 8.54 4.49 0.34 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 92 D 8.97 5.20 0.00 2.71 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 93 V 8.95 4.49 2.22 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 1.04 0.00 0.00 1.00 0.00 0.00 94 V 8.55 5.12 2.19 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 1.09 0.00 0.00 0.84 0.00 0.00 95 F 8.69 5.08 0.00 3.15 3.12 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 0.00 96 T 8.77 4.81 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 1.34 0.00 0.00 97 A 9.02 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 N 9.61 4.89 0.00 2.70 2.78 0.00 0.00 6.99 7.87 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 99 D 8.33 4.68 0.00 2.78 2.82 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 0.00 100 S 7.81 4.55 0.00 3.94 3.88 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 0.00 101 G 7.91 4.02 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 0.00 102 H 8.43 4.87 0.00 3.24 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.97 4.71 0.00 1.39 1.39 0.00 3.20 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 104 H 8.31 5.22 0.00 3.04 3.17 0.00 5.76 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 9.41 5.09 0.00 2.86 2.72 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 0.00 0.00 0.00 0.00 106 T 8.98 4.89 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 1.18 0.00 0.00 107 I 8.68 4.62 1.85 0.00 0.00 0.43 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 1.21 0.91 0.00 0.00 108 A 8.86 5.30 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 0.00 109 A 8.99 5.13 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 0.00 110 L 9.23 5.05 0.00 1.77 1.58 0.98 0.47 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 0.00 111 L 9.11 5.43 0.00 1.80 2.02 0.53 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 112 S 9.46 5.20 0.00 3.87 3.71 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 0.00 113 P 0.00 3.10 0.00 2.10 1.65 0.00 3.27 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.79 0.00 114 Y 7.80 4.74 0.00 2.77 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 0.00 115 S 8.10 4.74 0.00 3.79 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 0.00 116 Y 7.82 5.52 0.00 3.09 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 0.00 117 S 9.12 4.91 0.00 3.93 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 0.00 118 T 8.49 5.27 4.42 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 0.00 0.00 1.34 0.00 0.00 119 T 9.06 4.83 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 0.00 120 A 8.60 5.04 1.13 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 0.00 0.00 121 V 8.64 4.24 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 0.97 0.00 0.00 0.91 0.00 0.00 122 V 8.37 4.69 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 0.49 0.00 0.00 0.94 0.00 0.00 123 S 8.57 4.26 0.00 3.80 3.69 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 * Residues marked with a * may have inaccurate shift predictions.