NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4538 8.3049 120.3511 55.1649 33.4293 174.4057 2 K 4.5292 8.4668 122.9505 52.6511 35.1743 174.0837 3 S 4.9744 9.2470 118.3210 56.8280 66.8799 172.7478 4 R 5.2790 8.5305 119.7458 54.8723 34.4912 174.0580 5 I 4.8114 8.6889 114.5894 59.3774 40.4255 174.4950 6 I 5.2446 8.5664 124.1729 59.7666 40.5210 175.2081 7 V 4.5508 8.8160 117.9184 59.6534 35.5847 174.7470 8 R 5.2220 8.6326 122.6039 55.0235 33.1857 174.7083 9 T 4.8996 9.1628 116.9088 61.6800 71.6864 171.7717 10 S 5.1501 8.5153 116.0707 57.7368 65.8301 173.3376 11 F 4.9969 8.2670 114.1490 56.2239 41.4470 172.4008 12 D 5.6468 9.2842 119.7815 52.9623 43.4816 175.3771 13 A 5.1748 8.9728 122.1919 51.1018 23.6317 174.6069 14 A 5.2841 8.7097 120.3085 50.4208 22.5567 175.9345 15 H 4.8599 8.1826 109.7960 55.0814 29.1331 173.8089 *26 V 4.0327 7.5667 112.9432 62.1963 33.5238 176.0050 27 H 4.6658 8.6321 123.4349 54.0079 32.5901 172.5904 28 G 3.9272 8.6621 113.5545 46.9149 0.0000 171.2032 29 H 4.9521 9.9304 119.9095 54.0441 33.7850 172.3671 30 T 4.4922 8.0036 115.7769 62.0349 70.3990 173.7982 31 F 5.0378 8.4845 126.3188 55.4861 41.0086 174.9701 32 F 5.1153 8.8534 121.3502 55.6751 41.5625 173.9155 33 L 5.3476 9.3732 126.6851 53.2445 44.6686 174.4398 34 E 5.2701 9.5718 127.2735 54.4162 32.7326 174.4943 35 V 4.9817 9.0564 126.1758 61.0342 34.9446 173.6898 36 A 5.2834 9.0406 129.5274 50.3337 21.5727 174.7854 37 I 4.7521 8.7126 123.9825 59.6918 39.7839 174.5884 38 E 5.0210 8.8826 128.3659 54.9067 31.9942 175.3224 39 G 4.4458 8.0025 110.6008 46.8194 0.0000 171.9365 40 E 4.6458 8.1366 118.4831 54.4439 31.1475 175.9343 41 I 4.0312 8.2552 123.4206 61.3921 36.8679 175.7868 42 K 4.3812 9.2266 126.8750 55.2465 33.5269 176.7741 43 N 3.9816 9.6949 123.5159 54.4559 35.7230 175.7711 44 G 3.9123 8.4385 104.6429 45.6447 0.0000 173.1874 45 Y 4.6734 7.7226 117.1082 56.2055 41.3075 176.5019 46 V 3.9894 8.5790 122.3741 63.3294 32.3933 176.3557 47 M 4.2885 7.3453 112.9805 53.1167 32.8048 174.8555 48 D 4.3600 8.0645 123.0107 53.4159 41.2482 177.2205 49 F 4.4673 8.4847 121.9091 61.1106 39.0322 177.7288 50 L 4.1498 8.0780 119.1959 57.9834 41.9184 178.5324 51 E 3.9391 7.7853 119.7706 59.0067 29.5307 178.5256 52 L 3.9055 7.7624 120.2182 58.3490 42.2411 178.7589 53 R 3.9075 8.6409 118.9525 59.4598 29.8792 178.3631 54 K 3.9729 8.2576 119.3745 59.4208 32.0217 178.8968 55 I 3.6775 7.6798 120.1833 64.3167 36.9522 178.6429 56 V 3.5281 8.0597 119.1996 66.1849 31.3875 177.9968 57 E 4.5468 8.2987 119.7170 59.0017 29.0529 179.1372 58 E 4.0239 8.0919 117.7604 58.9401 29.7789 178.9785 59 I 4.0759 7.1522 119.5874 63.9505 37.6904 178.2776 60 T 3.6966 8.1154 110.9463 64.3474 68.0157 176.5258 61 K 4.0506 8.4731 121.8984 59.5403 32.2679 178.7389 62 E 3.7476 7.9818 118.4384 58.1690 29.8402 177.8442 63 L 4.4543 7.5869 117.8477 53.6887 42.7907 175.8652 64 D 4.7985 6.8926 118.7883 55.9244 41.2998 175.4078 65 H 4.1740 9.8883 123.7856 56.8351 26.9312 174.6055 66 R 4.5783 7.7226 117.6798 54.3264 32.9395 174.5055 67 N 5.1899 8.2803 117.5126 52.1265 39.5772 175.7531 68 L 4.1989 9.1347 126.9516 57.3382 41.9121 178.8523 69 N 4.6418 9.6616 116.2215 55.0441 38.5099 175.3932 70 N 4.6717 7.9003 114.4481 53.3591 39.4807 175.4331 71 I 3.9985 7.4212 116.4578 60.5208 39.9220 175.1328 72 F 4.8907 7.9989 118.4175 55.0388 41.2072 175.0532 73 E 4.0099 9.0722 125.7740 58.8929 29.5302 176.4452 74 N 4.7661 7.7826 117.5473 51.2686 40.2926 172.7970 75 P 4.4024 0.0000 0.0000 62.2198 30.0627 177.2947 76 T 4.2533 7.1975 110.8360 62.1237 71.7291 175.5127 77 T 3.9187 8.4795 118.9493 66.8152 68.4035 176.6849 78 E 3.9086 8.0688 119.9605 59.6554 29.5465 178.9830 79 N 4.3276 8.0931 116.3109 56.2696 38.4516 177.6326 80 I 3.0985 7.6475 121.0129 64.0386 37.1165 178.2431 81 A 4.0911 8.1763 121.7239 55.1547 18.2381 179.5095 82 L 4.0783 8.3206 117.8245 57.8074 41.6984 179.3667 83 W 4.3089 8.5305 128.2664 60.8601 30.6018 177.7311 84 I 3.4852 8.4669 119.8507 64.4569 36.5267 178.6034 85 G 3.5873 8.3898 106.3353 47.8655 0.0000 175.6234 86 E 3.8602 8.2173 121.1295 59.1271 29.2445 179.7102 87 R 3.6369 7.4748 117.1867 58.9687 30.2770 179.0046 88 I 3.6734 7.7571 119.8367 64.3459 37.3255 178.0833 89 R 3.6630 7.9389 119.9179 59.8508 29.5607 177.8202 90 D 4.3971 7.8484 115.6723 56.1542 41.2455 177.1305 91 K 4.3964 7.9579 116.7525 55.4404 33.5475 176.5450 92 L 4.1620 6.6145 117.9295 53.6629 42.1612 175.1886 93 P 4.4785 0.0000 0.0000 61.6857 32.0721 174.9212 94 P 4.0966 0.0000 0.0000 65.6726 31.5545 177.5918 95 Y 4.6462 7.5376 114.4334 56.3294 37.6350 175.1151 96 V 4.8293 7.0396 117.2601 61.7882 35.1819 173.5142 97 K 4.6509 8.9096 123.8557 54.6948 36.4274 175.0416 98 L 4.1455 8.2938 124.3409 55.4092 42.1517 175.7401 99 K 4.5548 9.2448 128.0854 58.0314 33.9519 176.0046 100 R 5.4530 7.8955 118.5309 54.8538 34.3071 173.6008 101 V 4.9894 9.4433 124.4292 61.3318 34.9793 174.0879 102 V 4.7510 8.9587 128.1689 60.9444 34.3375 173.7447 103 L 5.2792 8.7641 130.2127 53.1926 44.8609 174.7563 104 W 5.0550 9.4434 127.1301 55.3845 31.0816 175.7489 105 E 4.1794 9.5583 128.3379 53.7599 27.3997 176.0858 106 G 4.0769 8.3601 109.9200 44.2122 0.0000 171.4189 107 K 3.8429 8.3925 116.8101 58.1059 32.1002 177.9121 108 D 4.8797 8.0481 116.4373 54.1348 42.3871 175.7746 109 N 5.2703 8.2158 116.6296 51.6073 42.8061 173.6548 110 G 3.8003 8.3995 108.5514 45.0449 0.0000 171.6472 111 V 4.3518 8.5601 119.5135 60.7277 34.3662 173.6150 112 E 4.8944 8.6672 128.5120 54.3376 31.6233 174.5846 113 L 4.4899 9.1235 127.0170 52.6984 44.6708 175.0271 114 E 5.0624 8.1883 124.0019 54.0969 32.4409 175.2920 115 W 4.4485 9.6078 126.1518 56.8052 29.0244 175.9823 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 1 M 8.30 4.45 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 2 K 8.47 4.53 0.00 1.85 1.85 0.00 1.77 0.00 0.00 2.14 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.51 7.81 3 S 9.25 4.97 0.00 3.87 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 4 R 8.53 5.28 0.00 1.72 1.98 0.00 3.21 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 5 I 8.69 4.81 2.27 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.96 0.96 0.00 0.00 6 I 8.57 5.24 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.77 1.02 0.00 0.00 7 V 8.82 4.55 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 0.86 0.00 0.00 1.06 0.00 0.00 8 R 8.63 5.22 0.00 1.69 1.89 0.00 3.20 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 9 T 9.16 4.90 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 1.43 0.00 0.00 10 S 8.52 5.15 0.00 3.59 3.81 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 11 F 8.27 5.00 0.00 3.34 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 12 D 9.28 5.65 0.00 2.84 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.97 5.17 1.46 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 14 A 8.71 5.28 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 15 H 8.18 4.86 0.00 3.22 3.36 0.00 5.61 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *26 V 7.57 4.03 2.14 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 0.71 0.00 0.00 0.96 0.00 0.00 27 H 8.63 4.67 0.00 3.27 3.29 0.00 5.87 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 28 G 8.66 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 0.00 0.00 0.00 29 H 9.93 4.95 0.00 2.48 2.45 0.00 5.78 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.00 4.49 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 0.58 0.00 0.00 31 F 8.48 5.04 0.00 1.51 2.42 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 32 F 8.85 5.12 0.00 3.14 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 33 L 9.37 5.35 0.00 1.98 1.73 1.17 0.79 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 34 E 9.57 5.27 0.00 2.23 1.93 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 2.30 2.32 0.00 35 V 9.06 4.98 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 0.94 0.00 0.00 1.02 0.00 0.00 36 A 9.04 5.28 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 37 I 8.71 4.75 1.92 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 1.13 0.74 0.93 0.00 0.00 38 E 8.88 5.02 0.00 2.07 1.82 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 2.26 2.44 0.00 39 G 8.00 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 40 E 8.14 4.65 0.00 2.05 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 2.33 2.33 0.00 41 I 8.26 4.03 1.87 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 1.40 0.47 0.89 0.00 0.00 42 K 9.23 4.38 0.00 1.73 1.68 0.00 1.74 0.00 0.00 1.52 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.54 7.81 43 N 9.69 3.98 0.00 2.91 2.95 0.00 0.00 7.23 7.65 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 44 G 8.44 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 45 Y 7.72 4.67 0.00 2.95 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.58 3.99 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 0.87 0.00 0.00 0.93 0.00 0.00 47 M 7.35 4.29 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 48 D 8.06 4.36 0.00 2.98 2.80 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 49 F 8.48 4.47 0.00 3.17 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 50 L 8.08 4.15 0.00 1.85 1.72 0.97 0.91 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 51 E 7.79 3.94 0.00 2.36 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 2.31 2.31 0.00 52 L 7.76 3.91 0.00 1.82 1.92 0.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.64 3.91 0.00 2.00 2.05 0.00 3.20 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 54 K 8.26 3.97 0.00 1.90 2.04 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 55 I 7.68 3.68 2.04 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 1.38 0.82 0.86 0.00 0.00 56 V 8.06 3.53 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 1.18 0.00 0.00 1.04 0.00 0.00 57 E 8.30 4.55 0.00 2.15 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 2.39 2.34 0.00 58 E 8.09 4.02 0.00 2.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 59 I 7.15 4.08 1.96 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.01 0.64 0.00 0.00 60 T 8.12 3.70 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 1.37 0.00 0.00 61 K 8.47 4.05 0.00 1.97 2.20 0.00 1.31 0.00 0.00 1.65 0.00 0.00 3.16 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.59 1.48 7.81 62 E 7.98 3.75 0.00 2.28 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 0.00 2.38 2.56 0.00 63 L 7.59 4.45 0.00 1.20 1.36 0.81 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 64 D 6.89 4.80 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.89 4.17 0.00 3.28 3.43 0.00 5.68 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.72 4.58 0.00 1.89 1.78 0.00 3.25 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.76 0.00 67 N 8.28 5.19 0.00 2.73 2.70 0.00 0.00 6.88 6.66 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 68 L 9.13 4.20 0.00 1.82 1.96 0.83 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 69 N 9.66 4.64 0.00 2.77 2.90 0.00 0.00 6.92 7.88 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 70 N 7.90 4.67 0.00 2.84 2.80 0.00 0.00 6.72 7.43 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 71 I 7.42 4.00 1.50 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.22 0.59 0.00 0.00 72 F 8.00 4.89 0.00 3.08 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 73 E 9.07 4.01 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 2.32 0.00 74 N 7.78 4.77 0.00 2.65 2.67 0.00 0.00 6.98 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 75 P 0.00 4.40 0.00 2.32 2.40 0.00 3.85 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.23 0.00 76 T 7.20 4.25 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 1.21 0.00 0.00 77 T 8.48 3.92 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 1.32 0.00 0.00 78 E 8.07 3.91 0.00 2.01 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 2.36 2.41 0.00 79 N 8.09 4.33 0.00 2.53 2.68 0.00 0.00 7.13 6.55 0.00 0.00 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 I 7.65 3.10 1.86 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.14 0.87 0.00 0.00 81 A 8.18 4.09 1.44 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 0.00 0.00 82 L 8.32 4.08 0.00 1.97 1.87 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 83 W 8.53 4.31 0.00 3.69 3.61 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 84 I 8.47 3.49 2.17 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.15 0.96 0.00 0.00 85 G 8.39 3.59 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 0.00 0.00 0.00 86 E 8.22 3.86 0.00 2.05 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 2.52 2.54 0.00 87 R 7.47 3.64 0.00 1.22 1.50 0.00 3.01 0.00 0.00 2.92 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.50 0.00 88 I 7.76 3.67 1.84 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 1.32 0.65 0.81 0.00 0.00 89 R 7.94 3.66 0.00 1.54 1.97 0.00 2.94 0.00 0.00 2.80 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 90 D 7.85 4.40 0.00 2.60 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 91 K 7.96 4.40 0.00 1.60 1.75 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.51 7.81 92 L 6.61 4.16 0.00 1.63 1.55 0.82 0.98 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 93 P 0.00 4.48 0.00 2.06 2.00 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 94 P 0.00 4.10 0.00 1.56 1.69 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 95 Y 7.54 4.65 0.00 2.92 2.95 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 96 V 7.04 4.83 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 0.71 0.00 0.00 1.02 0.00 0.00 97 K 8.91 4.65 0.00 1.75 1.80 0.00 1.38 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.36 7.81 98 L 8.29 4.15 0.00 1.32 1.02 0.79 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 99 K 9.24 4.55 0.00 1.99 2.02 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.52 7.81 100 R 7.90 5.45 0.00 1.99 1.80 0.00 3.22 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 101 V 9.44 4.99 2.42 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 1.03 0.00 0.00 1.19 0.00 0.00 102 V 8.96 4.75 2.20 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 0.59 0.00 0.00 0.97 0.00 0.00 103 L 8.76 5.28 0.00 1.86 1.51 1.16 1.35 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 0.00 104 W 9.44 5.05 0.00 3.57 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.56 4.18 0.00 1.97 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 1.88 1.86 0.00 106 G 8.36 4.08 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 0.00 107 K 8.39 3.84 0.00 1.64 1.59 0.00 1.60 0.00 0.00 1.46 0.00 0.00 2.46 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.78 1.34 7.81 108 D 8.05 4.88 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.22 5.27 0.00 2.66 2.69 0.00 0.00 6.78 7.95 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 0.00 110 G 8.40 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 0.00 111 V 8.56 4.35 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.90 0.00 0.00 112 E 8.67 4.89 0.00 1.82 1.67 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 2.10 2.25 0.00 113 L 9.12 4.49 0.00 1.35 0.61 0.97 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.19 5.06 0.00 1.86 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 0.00 2.18 2.34 0.00 115 W 9.61 4.45 0.00 3.41 2.95 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 * Residues marked with a * may have inaccurate shift predictions.