NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0770 8.0244 114.2795 61.9708 39.1337 172.7306 4 E 4.2805 9.2201 120.3017 56.3161 28.4349 176.0486 5 K 4.1582 7.8095 116.9350 58.0614 33.4250 177.5632 6 L 4.1240 7.8137 120.5498 58.1427 42.4216 178.4065 7 K 3.9523 8.0141 118.8795 59.3425 31.9757 178.3612 8 A 4.1301 7.7814 119.5427 54.5426 18.4219 179.1370 9 A 4.0292 7.5038 118.8199 53.9426 18.7882 178.3371 10 L 3.9639 6.8641 116.8030 54.0887 42.3932 175.5492 11 P 4.3055 0.0000 0.0000 61.8813 32.2875 176.9311 12 E 3.8218 8.3344 119.8723 59.4000 29.6483 177.7430 13 Y 4.5761 7.2408 113.1086 57.4242 38.1921 175.1649 14 A 4.7943 7.5141 123.5212 51.5789 20.0054 178.7043 15 K 3.8238 7.9494 123.0616 61.4850 32.0645 177.9294 16 D 4.3710 8.0859 118.3873 57.5702 40.7621 178.7265 17 I 3.6878 7.7149 119.7248 64.0691 37.0891 178.1845 18 K 3.8815 7.9896 120.4453 59.6167 32.0873 178.8426 19 L 3.9931 8.0200 119.1659 57.9477 41.4471 179.3546 20 N 4.4627 8.3296 117.8941 55.4534 38.4058 177.3446 21 L 3.8958 8.1411 122.0362 58.0704 41.9795 179.1024 22 S 4.1393 7.9847 114.3555 61.5436 62.7266 176.6484 23 S 4.2338 8.0804 116.7398 61.6848 62.5607 176.2470 24 I 3.5875 7.8618 123.1120 63.5906 37.3943 177.1673 25 T 3.7333 7.5944 111.7074 63.5803 67.3635 175.6035 26 R 4.4040 7.8038 118.2069 56.2076 31.3814 176.6777 27 S 4.2067 6.8786 112.9268 58.9100 62.7338 174.0186 28 S 4.6791 8.3889 120.0925 58.0891 63.8213 175.1672 29 V 3.7060 7.3688 120.8399 65.0911 31.3153 175.9609 30 L 4.9137 7.5151 117.1990 52.3720 44.4356 176.2213 31 D 4.7152 8.8352 122.0369 52.8488 41.6100 177.2976 32 Q 4.1868 8.6774 119.9451 59.4580 28.8233 177.9508 33 E 4.1742 8.3476 119.8947 59.1576 29.8679 178.5007 34 Q 4.3200 9.9287 119.1717 58.9922 28.8604 178.4025 35 L 3.8537 8.3450 121.5419 58.2587 42.2042 179.1605 36 W 3.9688 8.5764 118.6378 58.9755 28.9012 178.9270 37 G 2.8091 8.4394 106.4600 47.4556 0.0000 176.1346 38 T 3.8388 7.9547 118.0136 66.3727 68.3986 176.9244 39 L 3.7907 7.7602 120.9900 57.4305 41.5453 179.4124 40 L 3.8505 7.7985 120.0779 57.9839 42.0809 178.7204 41 A 3.8733 7.7677 120.8717 55.3041 18.1391 179.8011 42 S 3.9538 8.1924 113.4760 61.6362 62.6994 176.5468 43 A 3.9678 7.9523 122.1874 55.3552 18.3600 179.2224 44 A 4.0436 8.0530 118.7614 55.3105 18.2493 179.7781 45 A 4.0314 7.7298 118.3360 55.1102 18.4795 179.5533 46 T 3.9209 7.6407 107.3555 62.7137 68.9505 175.7267 47 R 3.7969 7.5341 118.6842 56.8482 28.7533 175.7511 48 N 4.6187 8.0009 118.3544 52.1297 39.6551 173.8317 49 P 4.2728 0.0000 0.0000 65.9186 31.3568 178.3275 50 Q 3.8919 8.0833 118.8346 59.0304 29.1253 178.1277 51 V 3.5749 8.3723 119.6007 65.7492 31.4585 177.6873 52 L 3.8906 7.8636 119.5661 58.0375 41.9663 178.6423 53 A 4.0137 8.1520 120.7773 55.4698 18.3679 179.3825 54 D 4.3007 8.3719 117.4673 57.7073 40.9488 179.2387 55 I 4.1121 8.4062 120.9273 64.2085 36.8744 178.6924 56 G 3.6373 8.6237 106.2608 47.5715 0.0000 175.4452 57 A 4.0945 7.9968 122.9914 55.2049 18.0779 179.6807 58 E 3.6870 8.1100 116.7196 59.1786 29.5669 178.9920 59 A 4.0294 8.0711 119.8809 53.7981 18.2636 179.3881 60 T 3.8450 7.5543 108.1902 64.4008 68.9578 175.7963 61 D 4.4150 7.2639 119.0155 55.5506 41.0831 176.2835 62 H 4.8695 7.6911 113.4148 54.6197 30.9678 172.9609 63 L 4.7827 7.6683 119.8315 52.1442 43.9411 177.2700 64 S 4.3838 8.5839 118.4080 57.8752 65.1722 175.0067 65 A 3.9013 8.5409 123.4862 55.3164 18.0124 179.8277 66 A 4.0093 8.0426 118.4863 55.1496 18.4955 179.4674 67 A 4.2607 8.1433 119.2868 55.6146 18.5567 179.9953 68 R 3.7564 8.1793 116.6785 59.9078 30.0538 179.1496 69 H 4.3858 8.2070 115.5253 58.5096 28.6294 177.8144 70 A 4.2676 8.7489 123.0925 55.2027 18.2743 179.4295 71 A 3.8850 8.3824 119.6967 55.4395 18.4113 179.9536 72 L 4.0835 8.1800 117.6000 57.7920 41.5994 179.9890 73 G 3.7488 8.6759 105.9167 47.5323 0.0000 175.6907 74 A 3.9912 8.2018 122.2114 55.0674 18.4737 179.2545 75 A 4.0492 7.6412 117.5069 55.0590 18.4741 179.5311 76 A 4.1452 7.6723 118.2728 55.1783 18.6677 181.7433 77 I 4.0031 7.8974 115.7659 61.0611 38.1343 176.6203 *79 G 3.7853 7.8748 104.3066 45.1025 0.0000 173.9606 *81 N 4.9181 8.0270 118.5836 53.2155 40.3677 176.5873 82 N 4.4155 8.1558 114.9080 56.0223 38.4738 177.5174 83 V 3.5896 7.7024 119.3075 65.6710 31.7949 177.5581 84 F 3.8464 8.0341 119.7835 61.6525 39.3033 176.5692 85 Y 3.8420 8.1614 116.5967 60.7379 37.7212 178.6801 86 R 3.6117 7.5332 119.7561 59.0758 29.9733 178.6205 87 G 3.4961 7.5487 104.1377 47.9917 0.0000 175.2529 88 R 3.8508 7.6535 122.1344 58.6892 29.7282 178.7982 89 G 3.5265 7.6413 104.9112 47.5062 0.0000 175.1316 90 F 4.8575 7.5178 117.4700 58.7604 39.2601 175.6121 91 L 4.5727 7.8144 119.0611 54.9879 42.1093 176.3829 92 E 3.8286 9.2464 114.6287 58.0340 27.2160 175.4204 93 G 4.4308 8.2295 102.4197 46.5885 0.0000 175.4969 94 R 4.1182 8.3164 118.2614 58.1560 30.2095 176.9718 95 Y 4.5681 7.9544 114.2650 57.6336 39.1798 176.9410 96 D 4.5723 8.0907 121.8415 56.5938 41.0027 177.8921 97 D 4.5664 7.9900 117.3400 54.6014 40.1310 176.4996 98 L 4.3826 7.3786 120.5753 53.7915 42.5587 176.5632 99 R 4.2334 8.4354 121.9808 55.1663 30.2545 174.6593 100 P 4.1508 0.0000 0.0000 64.6043 31.3969 177.9960 101 G 3.8723 7.9361 103.4316 46.4312 0.0000 172.6928 102 L 4.5553 6.8823 115.7060 52.2847 43.4069 176.9953 103 R 4.2471 8.3816 122.9351 56.4463 30.9134 177.3858 104 M 4.8297 8.2428 120.7433 52.6549 31.2873 176.5139 105 N 4.2763 8.5873 119.4344 57.6336 38.4554 176.2223 106 I 3.7724 7.7114 118.8342 63.8215 38.0974 177.5202 107 I 3.5446 7.6816 120.0701 64.2842 37.0666 177.9453 108 A 4.2717 7.8587 119.9777 53.2873 19.5592 177.0842 109 N 4.7850 7.6905 114.3484 50.5029 36.6390 172.2914 110 P 4.1906 0.0000 0.0000 63.1593 32.1617 178.2324 111 G 4.3474 8.4089 106.0731 46.1745 0.0000 173.0012 112 I 4.5002 7.1429 117.2205 57.2518 40.9247 173.0440 113 P 4.2979 0.0000 0.0000 63.3064 32.5668 177.4518 114 K 3.9641 8.6452 119.6856 59.3912 32.1637 179.0876 115 A 3.8950 8.0321 120.7080 55.5882 18.1561 179.3958 116 N 3.6303 7.7258 113.9619 56.0743 38.5952 177.2618 117 F 3.8300 7.3358 120.9159 61.3031 39.4234 177.0706 118 E 4.0259 8.6417 118.6619 59.1960 29.2550 179.0566 119 L 3.9526 7.4843 120.2765 57.9100 42.1180 179.1333 120 W 4.4424 7.8958 119.0121 59.9014 29.0032 178.8102 121 S 4.0285 8.1329 115.2213 61.1232 62.1065 176.6009 122 F 4.1234 8.3248 123.4187 61.1885 39.0702 176.9559 123 A 3.8916 8.2918 120.4625 55.3425 18.1452 179.8558 124 V 3.5149 7.9387 116.6384 66.1776 31.5473 178.4390 125 S 4.1530 8.1439 114.7328 61.3115 62.3392 176.6201 126 A 3.7895 7.4634 122.8877 55.0949 18.1780 179.4751 127 I 3.7584 7.0670 117.0141 64.6842 37.2996 178.2633 128 N 4.5077 8.3917 116.3561 53.8080 39.1972 175.0737 129 G 3.5308 8.3242 107.3461 47.0596 0.0000 174.9035 130 C 4.5979 7.5717 118.8439 56.9915 33.4458 172.6355 131 S 4.0826 8.5119 124.6234 61.7732 62.5703 175.5018 132 H 3.9912 8.2430 121.4440 59.3174 29.4239 176.8168 133 C 4.1968 8.0846 117.7245 62.6301 28.1733 175.4240 134 L 3.9615 8.1362 122.1971 58.3151 41.5867 179.3285 135 V 3.6432 8.2111 118.1005 66.0364 31.5875 177.8849 136 A 3.9542 7.9699 120.5424 55.4529 18.0923 179.2804 137 H 4.4284 8.6634 115.0079 58.6091 28.8219 177.5669 138 E 3.7497 8.5529 121.4388 59.2505 29.3540 178.3794 139 H 4.1256 8.2551 118.3096 59.5632 30.0071 177.3122 140 T 3.7135 7.7278 117.2262 66.6145 68.2353 176.2572 141 L 3.8930 8.1087 121.1692 58.2202 41.7957 180.0250 142 R 4.0193 8.0702 117.6363 59.5753 29.7249 179.3000 143 T 3.8586 7.7326 114.9295 66.1626 68.4804 175.9143 144 V 4.0418 7.6095 117.3912 62.7033 31.5967 176.4026 145 G 3.8849 7.6576 104.7385 45.6936 0.0000 173.8913 146 V 3.8266 7.5853 119.7301 61.9544 32.3845 176.1649 147 D 4.6222 8.3484 126.4929 52.9030 41.7650 177.5690 148 R 3.8952 8.5733 120.5723 59.7676 30.0645 179.0045 149 E 3.9780 8.2200 117.4596 59.3770 29.4592 179.2226 150 A 3.9938 7.6132 120.1672 55.2338 18.5786 179.6918 151 I 3.3963 7.6476 118.3781 64.4276 37.0954 178.4169 152 F 4.3249 8.9209 121.7836 61.4247 39.1896 176.7079 153 E 3.8485 8.5541 118.7156 59.2130 29.3130 178.7128 154 A 4.0567 8.1074 120.9600 54.9675 18.4591 179.3692 155 L 3.9075 8.1191 118.8250 58.1314 42.1905 179.3179 156 K 3.7303 7.9847 118.2816 59.3406 31.8954 179.0930 157 A 3.8752 8.2334 121.1233 55.0959 18.2990 179.5124 158 A 3.9686 8.5905 120.7459 54.6571 18.4358 179.7846 159 A 3.8830 8.0433 119.2544 55.2966 18.3956 179.9407 160 I 3.5979 8.1388 118.7358 64.5940 37.2148 178.9289 161 V 3.5366 8.0323 119.3035 65.9777 31.2722 178.2811 162 S 4.2378 8.1343 115.3258 61.3599 62.5646 176.8440 163 G 3.5769 8.1625 108.6097 47.6137 0.0000 175.9229 164 V 3.5539 8.0346 120.6046 65.7385 31.5855 178.0122 165 A 3.9841 8.0333 120.4483 55.0683 18.2124 179.3759 166 Q 3.8555 8.0749 117.7746 59.3671 28.9971 178.0484 167 A 4.0716 7.8961 120.3947 55.5626 18.6836 179.3586 168 L 4.0774 8.1241 116.9644 57.7340 41.4995 179.3055 169 A 4.2024 7.9147 119.2112 54.1836 18.4624 178.4164 170 T 4.2578 7.4569 110.0697 62.4703 67.6045 174.4248 171 I 4.0298 7.4952 125.4483 62.3528 37.2015 175.5862 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 3 I 8.02 4.08 1.95 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.20 1.12 0.00 0.00 4 E 9.22 4.28 0.00 2.27 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 0.00 2.23 2.42 0.00 5 K 7.81 4.16 0.00 1.79 1.98 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.48 7.81 6 L 7.81 4.12 0.00 2.02 1.66 0.93 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.01 3.95 0.00 1.88 1.79 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.51 7.81 8 A 7.78 4.13 1.37 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 0.00 0.00 0.00 9 A 7.50 4.03 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 10 L 6.86 3.96 0.00 1.83 1.54 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.31 0.00 0.90 1.81 0.00 3.56 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 12 E 8.33 3.82 0.00 1.99 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 2.37 2.35 0.00 13 Y 7.24 4.58 0.00 3.09 3.09 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 0.00 0.00 0.00 14 A 7.51 4.79 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 15 K 7.95 3.82 0.00 1.99 1.83 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 16 D 8.09 4.37 0.00 2.81 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 17 I 7.71 3.69 2.00 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 1.53 0.44 0.89 0.00 0.00 18 K 7.99 3.88 0.00 1.81 1.96 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.47 7.81 19 L 8.02 3.99 0.00 1.88 1.70 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.33 4.46 0.00 2.89 2.83 0.00 0.00 6.31 6.25 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 21 L 8.14 3.90 0.00 1.79 1.82 0.87 0.69 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 22 S 7.98 4.14 0.00 4.03 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 23 S 8.08 4.23 0.00 4.06 4.11 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 24 I 7.86 3.59 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.07 0.88 0.00 0.00 25 T 7.59 3.73 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 1.35 0.00 0.00 26 R 7.80 4.40 0.00 1.92 1.98 0.00 3.44 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.78 0.00 27 S 6.88 4.21 0.00 3.78 3.89 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 0.00 0.00 0.00 0.00 28 S 8.39 4.68 0.00 3.90 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 29 V 7.37 3.71 2.21 0.00 0.00 0.00 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 1.00 0.00 0.00 30 L 7.52 4.91 0.00 1.64 1.57 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.84 4.72 0.00 2.97 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 32 Q 8.68 4.19 0.00 2.30 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.96 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 33 E 8.35 4.17 0.00 2.24 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 2.82 2.70 0.00 34 Q 9.93 4.32 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.68 0.00 35 L 8.35 3.85 0.00 1.91 1.55 0.76 0.69 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 36 W 8.58 3.97 0.00 3.62 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 37 G 8.44 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 0.00 0.00 0.00 38 T 7.95 3.84 4.36 0.00 0.00 0.00 0.00 0.00 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 39 L 7.76 3.79 0.00 1.31 1.42 -0.37 0.12 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 40 L 7.80 3.85 0.00 1.81 1.56 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.77 3.87 1.23 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 0.00 0.00 0.00 42 S 8.19 3.95 0.00 3.96 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 43 A 7.95 3.97 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 44 A 8.05 4.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 4.03 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 46 T 7.64 3.92 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 1.27 0.00 0.00 47 R 7.53 3.80 0.00 2.01 2.09 0.00 3.32 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 48 N 8.00 4.62 0.00 2.77 2.69 0.00 0.00 6.95 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 49 P 0.00 4.27 0.00 2.30 2.29 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 50 Q 8.08 3.89 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 51 V 8.37 3.57 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 0.94 0.00 0.00 0.98 0.00 0.00 52 L 7.86 3.89 0.00 2.01 1.74 0.92 0.95 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 53 A 8.15 4.01 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 54 D 8.37 4.30 0.00 2.89 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 55 I 8.41 4.11 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 1.60 1.02 1.08 0.00 0.00 56 G 8.62 3.64 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 0.00 0.00 0.00 57 A 8.00 4.09 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 58 E 8.11 3.69 0.00 2.12 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 2.20 2.56 0.00 59 A 8.07 4.03 1.52 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 0.00 0.00 60 T 7.55 3.84 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 1.24 0.00 0.00 61 D 7.26 4.41 0.00 2.34 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 0.00 0.00 0.00 0.00 62 H 7.69 4.87 0.00 3.09 3.32 0.00 5.64 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.67 4.78 0.00 1.86 1.55 1.14 0.69 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 64 S 8.58 4.38 0.00 4.08 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 65 A 8.54 3.90 1.37 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 0.00 0.00 0.00 66 A 8.04 4.01 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 67 A 8.14 4.26 1.54 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 0.00 0.00 68 R 8.18 3.76 0.00 1.71 1.87 0.00 3.07 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 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129 G 8.32 3.53 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 0.00 130 C 7.57 4.60 0.00 3.11 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 0.00 131 S 8.51 4.08 0.00 4.10 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 0.00 132 H 8.24 3.99 0.00 3.18 3.32 0.00 5.67 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 0.00 133 C 8.08 4.20 0.00 3.13 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 0.00 134 L 8.14 3.96 0.00 1.64 1.66 -0.08 0.99 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 0.00 135 V 8.21 3.64 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 0.93 0.00 0.00 1.00 0.00 0.00 136 A 7.97 3.95 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 0.00 137 H 8.66 4.43 0.00 3.45 3.50 0.00 5.82 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.55 3.75 0.00 2.40 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 2.13 2.54 0.00 139 H 8.26 4.13 0.00 3.35 3.48 0.00 5.84 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 0.00 140 T 7.73 3.71 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 1.19 0.00 0.00 141 L 8.11 3.89 0.00 1.72 1.58 0.60 0.74 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 0.00 142 R 8.07 4.02 0.00 1.91 1.93 0.00 3.40 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.81 0.00 143 T 7.73 3.86 4.30 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 1.15 0.00 0.00 144 V 7.61 4.04 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 0.77 0.00 0.00 0.89 0.00 0.00 145 G 7.66 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 0.00 146 V 7.59 3.83 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 0.73 0.00 0.00 0.88 0.00 0.00 147 D 8.35 4.62 0.00 3.12 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 0.00 148 R 8.57 3.90 0.00 1.82 1.99 0.00 3.09 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 149 E 8.22 3.98 0.00 2.25 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 2.40 2.44 0.00 150 A 7.61 3.99 1.45 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 0.00 151 I 7.65 3.40 1.87 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.07 0.14 0.00 0.00 152 F 8.92 4.32 0.00 3.10 3.26 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 0.00 153 E 8.55 3.85 0.00 2.35 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 0.00 2.31 2.35 0.00 154 A 8.11 4.06 1.56 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 0.00 155 L 8.12 3.91 0.00 2.06 1.88 0.79 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 156 K 7.98 3.73 0.00 1.86 1.69 0.00 1.49 0.00 0.00 1.40 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.16 0.74 7.81 157 A 8.23 3.88 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 0.00 158 A 8.59 3.97 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 0.00 159 A 8.04 3.88 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 0.00 160 I 8.14 3.60 1.95 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.59 0.85 0.00 0.00 161 V 8.03 3.54 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 0.98 0.00 0.00 0.88 0.00 0.00 162 S 8.13 4.24 0.00 4.04 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 0.00 163 G 8.16 3.58 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 0.00 0.00 0.00 164 V 8.03 3.55 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 0.99 0.00 0.00 0.98 0.00 0.00 165 A 8.03 3.98 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 0.00 166 Q 8.07 3.86 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 167 A 7.90 4.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 L 8.12 4.08 0.00 2.00 1.73 0.99 0.79 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 0.00 169 A 7.91 4.20 1.37 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 0.00 0.00 0.00 170 T 7.46 4.26 4.53 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 1.58 0.00 0.00 171 I 7.50 4.03 1.97 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 1.38 0.92 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.