NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1955 8.2116 122.9359 51.3899 19.9760 176.1555 3 D 4.2381 8.2388 119.5121 53.8011 41.6509 175.8353 4 K 4.1172 9.5894 127.4113 58.7332 33.2690 177.5082 5 E 4.6500 8.5111 117.4628 55.6023 29.5364 175.7247 6 L 3.7953 7.7612 121.1644 55.8314 42.5717 176.3018 7 K 4.6954 8.6178 126.9564 55.6160 33.4229 175.0545 8 F 5.2175 9.5557 127.4436 56.4758 41.1167 174.6269 9 L 5.1782 9.1716 125.4048 53.5084 44.2035 174.9892 10 V 4.7371 8.9185 127.4804 61.4255 33.5174 174.4681 11 V 4.8909 8.6467 128.7707 61.5283 33.9615 173.6913 12 D 4.9357 8.7697 125.7073 53.6209 45.1155 175.2332 13 D 4.7567 8.8052 121.1351 52.4356 40.0241 176.3512 14 F 4.7392 7.9388 119.7257 55.6378 41.6040 175.9939 15 S 4.2319 8.8134 119.9659 61.6945 62.7142 176.6133 16 T 3.8857 7.9827 112.9600 64.9210 68.4682 176.0766 17 M 3.9620 8.0549 120.6096 58.2291 32.2875 178.1791 18 R 3.9415 8.1363 118.4145 59.2309 30.1281 179.0261 19 R 3.8863 8.1929 118.5349 59.2482 29.9858 178.4370 20 I 3.6130 7.8997 119.8673 64.5526 37.0679 178.5756 21 V 3.5799 7.9546 118.9785 65.8880 31.3688 177.8249 22 R 3.8566 8.2748 118.8119 59.7766 29.9205 178.3041 23 N 4.3858 8.4523 116.2976 56.1019 38.3477 177.5159 24 L 4.0241 8.2386 120.8483 57.7045 41.6473 179.4300 25 L 3.9794 8.1645 119.1909 57.8152 41.5244 179.7283 26 K 4.0286 8.1882 118.3806 59.4873 31.7495 178.9080 27 E 3.9352 8.1201 118.5909 58.8513 29.5886 178.0016 28 L 4.4061 7.4537 116.5183 54.5963 42.1194 177.4145 29 G 3.6318 8.0051 107.6068 45.1126 0.0000 173.7727 30 F 4.9600 7.8174 118.3386 55.3687 38.3756 175.2412 31 N 4.7779 8.6062 122.2498 53.1990 39.8388 175.7256 32 N 4.8052 7.9764 118.5225 52.1444 38.3160 172.1156 33 V 5.0668 8.0091 121.1483 60.6908 34.8208 173.7045 34 E 5.0249 9.6509 126.3787 54.6687 33.5979 174.4606 35 E 5.4100 8.7450 118.6227 54.9755 33.6284 175.1943 36 A 5.0150 9.0107 122.5882 50.7811 22.8713 176.6647 37 E 5.0474 9.6760 115.9880 55.7705 31.0777 175.1322 38 D 4.5937 7.3761 118.7753 51.7674 43.1805 175.9837 39 G 3.5574 8.4687 105.7072 47.6004 0.0000 176.2886 40 V 3.5497 7.7479 120.1381 65.9981 31.7151 177.3248 41 D 4.2760 8.7315 117.9571 57.2759 40.9233 178.0903 42 A 3.8931 8.0800 121.1347 55.2551 18.4135 179.6382 43 L 3.8988 7.9432 117.4150 57.9206 41.4241 179.3283 44 N 4.3100 8.0952 115.6693 56.4315 38.7810 177.2966 45 K 4.1990 8.0525 119.6526 59.4739 32.2182 179.5231 46 L 3.9068 8.1560 119.5830 57.7398 41.2454 179.4873 47 Q 4.1314 7.9947 116.8240 58.2984 28.6550 178.0607 48 A 4.2112 7.9764 121.1170 52.3718 18.6281 178.4721 49 G 3.9170 7.4538 102.0295 46.3695 0.0000 174.0854 50 G 3.8816 8.6148 106.2874 45.2426 0.0000 173.7717 51 Y 4.1942 7.7358 116.8096 57.9848 38.4753 175.4957 52 G 4.1942 8.8724 107.9273 45.7970 0.0000 172.6081 53 F 4.6117 7.6933 120.3703 57.0836 42.8872 172.4614 54 V 4.9294 8.4911 125.7390 61.1755 34.3936 174.0183 55 I 5.0853 9.0559 128.7962 59.7661 39.6087 174.5108 56 S 5.2010 9.0506 121.9517 56.1733 66.0194 172.8374 57 D 4.9643 8.9433 126.1965 54.0348 42.0554 176.7833 58 W 4.3326 9.6334 135.0000 59.7193 32.0356 174.8203 59 N 5.0414 8.8142 119.1717 52.0937 38.6917 173.2893 60 M 4.8876 7.9806 124.0822 52.8246 36.2701 173.5261 61 P 4.3897 0.0000 0.0000 63.7979 32.4861 175.4314 62 N 4.6711 9.0198 120.6244 53.4703 36.8905 174.6048 63 M 4.7270 7.3611 116.9842 52.9691 34.8522 174.6236 64 D 5.0760 8.9589 127.3593 52.1654 42.4734 177.3905 65 G 3.6235 8.0716 106.9165 47.2699 0.0000 175.6423 66 L 3.9312 7.1615 122.1906 57.9361 42.1531 178.8052 67 E 3.8751 8.2917 118.5229 59.0794 29.2902 178.9380 68 L 3.8783 7.9942 120.5415 58.0870 42.1234 178.6892 69 L 3.9142 8.0504 120.2467 58.3160 42.0314 179.1124 70 K 3.9687 8.2988 118.5204 59.7640 31.7113 179.5702 71 T 3.8662 7.7537 115.1329 66.4741 68.6693 176.4798 72 I 3.8250 7.8877 121.8765 64.7697 37.0077 178.8235 73 R 4.2923 8.2187 118.1919 58.1800 29.8090 177.7520 74 A 4.3138 7.5592 119.0304 52.5842 18.9695 177.9138 *77 A 4.3136 7.9542 125.4609 53.7823 20.6081 178.5807 78 M 4.3693 7.8338 110.9720 55.9788 31.6305 178.1259 79 S 4.8760 8.2700 114.2776 60.3112 63.4677 175.1442 80 A 4.5732 7.7478 122.0301 51.5457 19.0289 176.4552 81 L 4.0054 7.6155 117.9818 55.2397 42.2005 175.8609 82 P 4.0880 0.0000 0.0000 62.7177 32.7129 175.4718 83 V 4.5221 8.4775 122.9214 61.1030 34.7204 173.7157 84 L 4.9609 8.9849 131.3628 53.8130 43.8003 174.7169 85 M 4.8455 8.9951 127.3733 54.7950 33.9946 174.7148 86 V 4.8165 8.8057 126.1089 61.5649 34.2296 174.2610 87 T 4.9493 8.4831 120.4470 60.4883 70.6332 174.4522 88 A 4.0501 8.7968 128.7485 54.5152 18.8755 178.0259 89 E 4.4880 7.4700 114.9906 55.1866 30.8634 172.6866 90 A 4.3803 8.1712 125.6223 51.0374 19.0037 178.0102 91 K 4.5502 8.3086 121.9444 53.6355 36.9266 176.7071 92 K 3.6705 8.7887 125.2190 60.0575 32.0443 178.6495 93 E 3.9764 8.0523 117.8880 59.3524 29.3267 178.9889 94 N 4.2755 7.9409 116.1489 56.1797 38.5262 177.2986 95 I 2.8560 7.4357 121.2614 64.1870 37.0385 178.6377 96 I 3.6123 7.6957 120.3146 64.1390 36.9068 178.3105 97 A 4.0275 8.1707 121.4861 55.1480 18.1719 179.5794 98 A 4.1194 8.4064 119.3005 55.2681 18.5353 179.6936 99 A 3.9252 8.1865 119.4953 55.6141 18.2973 180.0102 100 Q 3.9913 8.3003 115.2148 58.6360 28.8408 178.0596 101 A 4.3545 7.7200 119.7359 52.1301 18.7542 177.7623 102 G 4.0601 7.8558 105.7789 44.9632 0.0000 174.3086 103 A 4.1421 8.0961 122.9124 52.3535 18.8286 178.7579 104 S 4.2862 8.8533 118.3679 61.1547 63.8153 174.2193 105 G 4.0613 7.6187 104.8880 46.2261 0.0000 171.6888 106 Y 5.3839 7.9543 120.2354 56.0145 42.3095 173.9042 107 V 4.4974 8.7859 126.0790 59.7759 35.0079 174.6743 108 V 4.6034 8.4270 123.7031 62.2267 32.2301 175.3130 109 K 4.9402 8.7086 127.6760 54.7449 34.4029 174.8719 110 P 4.2838 0.0000 0.0000 62.6904 32.0085 175.4361 111 F 4.9894 7.4868 113.9908 54.7217 41.1609 174.5141 112 T 4.4880 8.2682 111.9275 60.1727 71.9169 175.4761 113 A 4.0263 8.4612 122.2007 55.3632 18.3163 179.6752 114 A 3.9825 7.9956 118.6823 55.5730 18.5307 179.8316 115 T 3.8010 7.9038 114.0693 66.6775 68.5241 176.6277 116 L 3.7151 8.1576 122.3295 57.9907 42.0357 178.5095 117 E 3.9508 8.5869 119.6883 59.3463 29.4965 178.4090 118 E 3.9183 8.2842 119.2623 59.0546 29.6925 178.6911 119 K 3.8363 8.0700 119.5826 59.5074 32.3071 178.7536 120 L 3.5753 8.0977 119.5862 57.8115 41.4002 179.3467 121 N 4.6306 8.4918 116.7821 56.1068 38.4179 177.3832 122 K 3.9391 8.2933 121.3190 59.5394 32.2142 179.0186 123 I 3.7078 7.7723 120.0041 64.4251 36.9744 178.3641 124 F 4.5608 8.3142 119.0606 60.6814 38.7826 177.3938 125 E 3.9973 8.7080 119.2241 59.1924 29.2699 178.6559 126 K 3.9549 8.0541 118.5303 59.3107 32.3709 177.8529 127 L 4.4472 8.1615 116.2190 53.9270 41.9776 176.8194 128 G 3.9072 7.7551 106.5080 46.9902 0.0000 173.9863 129 M 4.1891 8.4829 125.4102 55.0588 32.1799 176.2476 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 2 A 8.21 4.20 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.24 4.24 0.00 2.85 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 4 K 9.59 4.12 0.00 1.77 1.86 0.00 1.19 0.00 0.00 1.16 0.00 0.00 2.67 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.39 1.24 7.81 5 E 8.51 4.65 0.00 2.11 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 2.30 2.39 0.00 6 L 7.76 3.80 0.00 1.96 1.79 0.94 0.43 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 7 K 8.62 4.70 0.00 1.80 1.66 0.00 1.49 0.00 0.00 1.07 0.00 0.00 2.13 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.18 1.41 7.81 8 F 9.56 5.22 0.00 3.09 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 9 L 9.17 5.18 0.00 1.36 1.42 0.88 0.71 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 10 V 8.92 4.74 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 1.04 0.00 0.00 11 V 8.65 4.89 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 0.89 0.00 0.00 0.93 0.00 0.00 12 D 8.77 4.94 0.00 2.91 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.81 4.76 0.00 2.66 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 14 F 7.94 4.74 0.00 3.06 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 15 S 8.81 4.23 0.00 4.07 4.15 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 16 T 7.98 3.89 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 1.25 0.00 0.00 17 M 8.05 3.96 0.00 2.36 2.02 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.71 0.00 18 R 8.14 3.94 0.00 2.09 2.09 0.00 3.35 0.00 0.00 3.46 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 19 R 8.19 3.89 0.00 1.94 2.07 0.00 3.16 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 20 I 7.90 3.61 1.89 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.59 0.69 0.00 0.00 21 V 7.95 3.58 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 1.17 0.00 0.00 1.03 0.00 0.00 22 R 8.27 3.86 0.00 1.92 2.14 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 23 N 8.45 4.39 0.00 2.94 2.83 0.00 0.00 7.08 7.47 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 24 L 8.24 4.02 0.00 1.87 1.78 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.16 3.98 0.00 1.73 1.68 0.54 0.48 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 26 K 8.19 4.03 0.00 1.95 1.85 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.74 1.54 7.81 27 E 8.12 3.94 0.00 1.97 2.23 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 2.33 2.36 0.00 28 L 7.45 4.41 0.00 1.91 1.78 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.01 3.63 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 0.00 0.00 0.00 30 F 7.82 4.96 0.00 2.87 2.74 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 31 N 8.61 4.78 0.00 2.72 2.86 0.00 0.00 7.07 8.00 0.00 0.00 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 N 7.98 4.81 0.00 3.10 3.05 0.00 0.00 6.58 7.71 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 33 V 8.01 5.07 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 0.97 0.00 0.00 0.95 0.00 0.00 34 E 9.65 5.02 0.00 2.21 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 2.34 2.55 0.00 35 E 8.74 5.41 0.00 1.84 1.84 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 2.25 2.34 0.00 36 A 9.01 5.01 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 37 E 9.68 5.05 0.00 2.10 2.17 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 2.38 2.15 0.00 38 D 7.38 4.59 0.00 3.07 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 39 G 8.47 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.75 3.55 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 1.08 0.00 0.00 0.90 0.00 0.00 41 D 8.73 4.28 0.00 2.79 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 42 A 8.08 3.89 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 43 L 7.94 3.90 0.00 1.82 1.70 0.89 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.10 4.31 0.00 2.85 2.90 0.00 0.00 7.10 7.32 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 45 K 8.05 4.20 0.00 1.84 1.84 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.65 7.81 46 L 8.16 3.91 0.00 1.58 1.66 0.81 0.31 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 47 Q 7.99 4.13 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 48 A 7.98 4.21 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 49 G 7.45 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 50 G 8.61 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 0.00 0.00 0.00 51 Y 7.74 4.19 0.00 3.02 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 52 G 8.87 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 0.00 0.00 0.00 0.00 53 F 7.69 4.61 0.00 2.39 1.59 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 54 V 8.49 4.93 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 1.02 0.00 0.00 0.86 0.00 0.00 55 I 9.06 5.09 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.06 1.04 0.00 0.00 56 S 9.05 5.20 0.00 3.88 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 57 D 8.94 4.96 0.00 3.02 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 58 W 9.63 4.33 0.00 3.42 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 59 N 8.81 5.04 0.00 2.82 2.94 0.00 0.00 7.02 7.46 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 60 M 7.98 4.89 0.00 1.97 2.01 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 2.52 2.56 0.00 61 P 0.00 4.39 0.00 2.14 2.01 0.00 3.81 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 62 N 9.02 4.67 0.00 2.89 3.03 0.00 0.00 6.62 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 63 M 7.36 4.73 0.00 1.91 1.81 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 64 D 8.96 5.08 0.00 2.92 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 G 8.07 3.62 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 0.00 0.00 0.00 66 L 7.16 3.93 0.00 1.00 1.38 1.09 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.29 3.88 0.00 2.12 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 2.25 2.30 0.00 68 L 7.99 3.88 0.00 1.70 1.80 0.87 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.05 3.91 0.00 1.87 1.94 0.89 1.11 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 70 K 8.30 3.97 0.00 1.93 1.83 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.63 7.81 71 T 7.75 3.87 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 1.19 0.00 0.00 72 I 7.89 3.82 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.78 0.91 0.00 0.00 73 R 8.22 4.29 0.00 1.77 1.99 0.00 3.26 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.86 0.00 74 A 7.56 4.31 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *77 A 7.95 4.31 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 78 M 7.83 4.37 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 79 S 8.27 4.88 0.00 4.19 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 80 A 7.75 4.57 1.26 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 0.00 0.00 81 L 7.62 4.01 0.00 1.57 1.54 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.09 0.00 0.49 1.31 0.00 3.45 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 1.93 1.93 0.00 83 V 8.48 4.52 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 1.04 0.00 0.00 0.90 0.00 0.00 84 L 8.98 4.96 0.00 2.01 1.77 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 85 M 9.00 4.85 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.91 0.00 86 V 8.81 4.82 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 1.03 0.00 0.00 1.06 0.00 0.00 87 T 8.48 4.95 3.75 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 0.65 0.00 0.00 88 A 8.80 4.05 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 89 E 7.47 4.49 0.00 1.89 1.84 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 2.24 2.25 0.00 90 A 8.17 4.38 1.33 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 0.00 0.00 0.00 91 K 8.31 4.55 0.00 1.68 1.62 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.64 7.81 92 K 8.79 3.67 0.00 1.75 1.78 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.49 7.81 93 E 8.05 3.98 0.00 2.10 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 2.40 2.45 0.00 94 N 7.94 4.28 0.00 2.54 1.87 0.00 0.00 7.15 7.22 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 95 I 7.44 2.86 1.64 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 -0.18 0.54 0.00 0.00 96 I 7.70 3.61 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.68 0.89 0.00 0.00 97 A 8.17 4.03 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.41 4.12 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.19 3.93 1.33 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 0.00 0.00 0.00 100 Q 8.30 3.99 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 101 A 7.72 4.35 1.41 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 0.00 102 G 7.86 4.06 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 0.00 0.00 0.00 103 A 8.10 4.14 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 0.00 104 S 8.85 4.29 0.00 3.74 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 0.00 105 G 7.62 4.06 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 0.00 0.00 0.00 106 Y 7.95 5.38 0.00 2.89 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 0.00 107 V 8.79 4.50 1.84 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 0.26 0.00 0.00 0.58 0.00 0.00 108 V 8.43 4.60 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 0.84 0.00 0.00 0.97 0.00 0.00 109 K 8.71 4.94 0.00 1.69 1.91 0.00 1.58 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.51 1.34 7.81 110 P 0.00 4.28 0.00 2.11 1.98 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 111 F 7.49 4.99 0.00 3.02 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 T 8.27 4.49 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 0.00 113 A 8.46 4.03 1.41 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 0.00 114 A 8.00 3.98 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 0.00 115 T 7.90 3.80 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 116 L 8.16 3.72 0.00 1.83 1.87 0.72 0.81 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 0.00 117 E 8.59 3.95 0.00 2.15 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 0.00 2.36 2.41 0.00 118 E 8.28 3.92 0.00 2.17 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 2.29 2.32 0.00 119 K 8.07 3.84 0.00 1.86 1.78 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.44 7.81 120 L 8.10 3.58 0.00 1.56 1.08 0.67 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.49 4.63 0.00 2.84 2.96 0.00 0.00 6.69 7.97 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 0.00 122 K 8.29 3.94 0.00 1.88 2.01 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 123 I 7.77 3.71 1.87 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.52 0.91 0.00 0.00 124 F 8.31 4.56 0.00 3.21 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 0.00 125 E 8.71 4.00 0.00 2.16 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 0.00 2.35 2.37 0.00 126 K 8.05 3.95 0.00 1.91 1.99 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.50 7.81 127 L 8.16 4.45 0.00 1.81 1.74 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 128 G 7.76 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 0.00 129 M 8.48 4.19 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 * Residues marked with a * may have inaccurate shift predictions.