NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4338 8.3193 115.4056 57.9612 64.4397 173.1979 -1 N 4.4176 8.1476 119.6578 51.4195 38.5435 175.1076 0 A 4.1542 8.9874 119.0760 52.5386 18.8660 180.6905 0 E 4.1842 9.1674 115.4760 56.6386 29.6660 179.4905 3 A 3.8793 8.0414 120.3892 54.9235 18.2559 179.4346 4 L 3.6962 7.9887 118.1899 58.2306 42.3130 179.0154 5 K 3.7404 7.7815 117.8278 59.5717 31.8404 179.3294 6 R 3.9222 7.7838 117.6425 59.1166 29.9645 178.8012 7 K 3.8623 7.9431 119.3526 59.4121 31.9668 178.8676 8 I 4.0163 8.0367 120.2540 64.7379 36.9187 178.3749 9 E 4.0773 8.2814 117.9674 59.2079 29.3049 179.0608 10 E 4.1888 8.4415 118.3891 58.7714 29.8416 177.5744 11 E 4.6735 8.4837 115.4435 56.1543 31.7963 176.7913 12 G 3.9883 8.2545 106.5436 46.0500 0.0000 173.4188 13 V 4.5487 8.6991 122.8769 60.6990 34.5154 174.4566 14 V 4.4721 8.5170 128.1085 62.2783 32.4028 174.7144 15 L 4.5573 9.0844 128.8916 53.9160 43.8148 177.0820 16 S 3.7913 9.5533 118.6505 59.8335 60.6238 171.7799 17 D 4.7492 8.3616 113.8421 53.8238 38.3453 174.3580 18 Q 4.6067 8.3374 117.5848 55.6177 33.2699 174.4698 19 V 4.3874 7.7900 117.8994 60.8031 34.3284 173.8625 20 L 4.9126 8.4739 129.8939 53.6338 43.2665 175.3378 21 K 4.3336 9.2030 129.6017 54.9504 33.4828 177.1714 22 V 4.5756 7.8250 123.5122 61.0028 31.5089 177.2002 23 D 4.5742 8.2036 121.1539 56.6864 41.6140 180.0769 24 S 4.3589 8.1699 112.3614 60.0099 63.7521 174.6611 25 F 5.0082 7.5716 112.6774 55.8300 39.6877 175.1280 26 L 4.3065 7.7710 120.6813 56.4592 43.4711 176.6867 27 N 4.8009 7.8060 110.5962 52.6791 39.0791 173.7939 28 H 5.0867 7.6504 117.5046 57.2507 36.8241 172.9738 29 Q 4.3451 8.5759 120.7205 55.4939 30.0090 174.4251 30 I 4.6320 8.2360 125.6657 59.5697 40.0215 174.7471 31 D 4.6205 8.7072 127.3712 52.4635 40.4958 174.2825 32 P 4.4005 0.0000 0.0000 65.3574 32.0989 178.1677 33 L 4.0778 8.1709 119.7993 58.0991 42.2212 180.1054 34 L 3.9443 8.0160 120.2366 55.0008 41.3870 178.4633 *36 Q 4.2322 8.2825 119.3630 55.7501 31.0092 177.0692 37 R 3.8918 8.0105 116.7731 59.2761 30.0276 179.0944 38 I 3.5536 7.9899 119.7845 64.3322 37.1192 178.7248 39 G 4.1431 8.0651 105.9861 47.6828 0.0000 175.2802 40 D 4.4104 8.4984 121.6025 56.9127 40.8231 178.5253 41 E 3.8634 8.1953 119.9068 59.2391 29.5711 178.7261 42 F 4.6178 8.0090 117.6007 60.8156 38.8856 177.5181 43 A 4.1803 8.4335 120.5544 55.2804 17.9785 179.8435 44 S 4.1362 8.1692 111.8217 61.7454 63.1176 176.7360 45 R 4.0093 8.0524 120.6498 57.8607 29.8546 177.4421 46 F 5.2189 8.0249 114.5819 56.2164 39.5970 177.1359 47 A 4.1561 7.9674 126.1884 54.4573 18.1754 179.2772 48 K 4.6349 7.9935 113.8847 56.5678 32.7753 176.3288 49 D 4.8214 8.1097 117.6357 53.3676 41.6708 177.1564 50 G 4.1971 8.2668 106.6337 46.1298 0.0000 174.1621 51 I 3.9596 8.1006 119.9570 61.9596 37.4781 176.0222 52 T 4.5592 8.3374 114.1665 62.0575 70.8068 174.3201 53 K 4.6267 7.7032 121.1175 55.5047 35.7835 173.8280 54 I 4.9464 8.4293 126.5946 59.5669 39.9922 174.7007 55 V 4.8217 8.3414 125.4085 61.6930 34.4729 174.4855 56 T 5.1470 8.6817 120.8699 60.0334 70.9506 171.4938 57 I 5.1682 8.1434 119.2379 58.9410 41.5993 175.5278 58 E 4.2042 8.9554 126.7835 57.0064 30.2780 177.3427 59 S 4.4781 8.4361 115.5106 60.2542 64.4029 177.0625 60 S 4.3154 8.0273 117.3249 61.1763 62.6318 176.5582 61 G 3.9617 7.6051 109.3722 46.5057 0.0000 175.9612 62 I 3.5750 7.5715 122.0660 64.3105 36.9105 177.8247 63 A 3.9725 7.9358 119.7736 54.9611 18.3082 177.5116 64 P 4.3927 0.0000 0.0000 65.8163 31.6435 178.1295 65 A 4.1433 8.0007 120.6289 54.8138 18.2520 180.9111 66 V 3.8177 8.0577 115.7386 63.6023 31.6378 178.0815 *68 T 4.5233 7.9892 115.0746 63.1627 70.5239 176.6133 69 G 3.6604 8.5014 108.3219 47.5986 0.0000 175.3988 70 L 3.9587 8.3153 123.0070 57.9696 41.9361 179.1236 71 K 4.0589 7.9248 117.6849 59.4324 32.3721 178.2708 72 L 4.2614 8.0942 118.0348 55.1237 41.8849 176.9971 73 G 3.8310 7.7783 105.5240 46.8178 0.0000 173.5850 74 V 4.7069 7.6721 110.9604 58.0748 35.5750 174.6263 75 P 4.5318 0.0000 0.0000 62.9557 32.9342 175.0125 76 V 4.8096 8.1829 119.8053 61.1806 34.1041 174.4855 77 V 4.3825 8.9718 128.8691 61.0650 33.4905 174.0049 78 F 5.3645 8.4346 123.1809 54.9291 39.4572 175.6740 79 A 4.3107 9.2313 126.1721 52.1968 19.8433 176.1003 80 R 5.0414 8.7941 119.6252 54.8339 31.9573 177.6977 81 K 4.2009 9.9101 122.4889 57.2968 33.0287 176.3387 82 H 5.0498 7.6970 113.6661 53.1369 32.5122 173.2016 83 K 4.1839 8.4935 120.6231 56.7075 32.3869 176.5840 84 S 4.7530 8.0927 115.5795 56.2026 66.4779 173.7946 85 L 4.0805 8.7417 122.0865 57.8253 41.6826 177.5198 86 T 4.3751 7.7723 104.2909 61.0996 69.7831 174.0923 87 L 4.3872 7.2090 125.8312 53.9846 40.8727 175.0660 88 T 4.4107 8.2460 112.8085 61.9271 70.9937 173.9805 89 D 4.9390 7.6284 118.5057 52.1750 44.5644 174.1963 90 N 4.2070 8.5966 113.3917 54.2196 36.2930 174.2057 91 L 4.5625 7.9242 116.5455 54.7471 42.7953 176.5880 92 L 4.7481 9.3261 124.3398 53.3999 43.3749 175.7557 93 T 5.2314 8.5295 113.2230 59.9662 72.0355 173.0092 94 A 4.7191 8.7641 123.0163 50.5784 23.1977 174.7908 95 S 5.0282 8.5346 114.5862 56.6988 64.3437 173.4714 96 V 3.8136 9.0393 127.6859 61.1478 33.8038 173.6546 97 Y 5.0770 7.3559 125.9300 57.2211 39.0414 174.8615 98 S 4.6638 8.8759 119.3728 56.4314 63.9012 174.6902 99 F 4.4833 8.4527 130.1329 56.9583 38.2265 173.6754 *103 T 4.4082 7.1900 117.4383 61.8245 69.4412 172.1425 104 E 5.0700 8.8193 117.8559 55.9483 31.3066 175.4271 105 S 4.7775 8.9723 115.8995 56.7084 66.7706 171.8628 106 Q 5.1577 8.5944 124.2689 54.3670 30.4930 174.5065 107 I 4.9320 8.7788 119.3206 59.3318 41.0967 174.2011 108 A 5.1868 8.5126 123.9407 50.7740 23.0313 175.3798 109 V 4.5452 8.7279 120.4054 60.7453 35.6572 174.8707 110 S 4.3548 8.6659 122.0476 57.9317 62.8737 175.2712 111 G 3.7115 9.2893 117.7051 48.3605 0.0000 175.6082 112 T 3.8183 7.3715 109.4625 64.2744 68.7548 174.8092 113 H 4.7828 7.8688 117.4015 55.5857 29.2464 174.8078 114 L 4.9486 7.6547 120.1594 52.7544 44.9230 175.9207 115 S 4.8604 9.1564 117.5592 55.8303 65.7547 174.7846 116 D 4.6562 8.4482 119.1782 55.3532 39.1402 177.3244 117 Q 4.2350 7.5344 117.1748 57.1860 29.5029 175.9234 118 D 4.5679 7.9954 119.4116 54.4078 42.4078 175.0251 119 H 4.9870 9.1705 122.1705 53.6422 32.5004 172.1710 120 V 4.6627 8.8095 127.0088 61.1092 33.9585 174.1128 121 L 4.6284 8.2840 129.8282 53.4818 43.5588 175.1485 122 I 4.5692 8.0879 128.0630 60.7363 38.7279 175.0982 123 I 4.7171 8.4138 126.7666 59.5768 40.8220 174.0845 124 D 4.7934 8.7070 124.6274 53.1353 44.9720 175.7408 125 D 4.4014 8.9858 122.0200 56.0527 40.5579 175.9306 126 F 5.3132 8.2296 116.4857 54.7286 42.3302 174.4090 127 L 4.3911 9.0974 124.1485 54.8832 44.2437 174.5454 128 A 4.5719 8.9842 126.4225 52.6395 20.8762 176.4572 129 N 4.3398 9.1857 119.6269 52.5061 40.3072 176.6891 130 G 3.9379 8.2829 106.1608 46.4375 0.0000 175.4311 131 Q 4.0207 8.0496 120.6286 58.6472 28.6821 178.2458 132 A 3.9343 7.9394 121.1832 54.8720 18.4094 179.3050 133 A 3.8353 7.8900 118.8125 55.7335 18.4444 179.2951 134 H 4.1593 8.2556 114.7811 58.9968 28.7677 178.2470 135 G 3.5455 8.0562 107.3959 47.8540 0.0000 175.8222 136 L 3.9866 8.0522 121.6428 57.1817 41.5867 179.6365 137 V 3.3748 7.8242 118.4237 65.9394 31.3462 177.8346 138 S 4.0888 8.2457 113.0172 61.5996 61.8176 176.1952 139 I 3.6438 7.7331 122.2101 64.3406 36.9699 178.5240 140 V 3.5746 7.8376 118.9663 66.1072 31.3504 178.1891 141 K 4.0170 8.1670 118.1015 59.6560 31.6355 179.3600 142 Q 4.0162 8.2259 117.4209 58.4887 28.6872 177.8506 143 A 4.3062 7.4969 119.2368 52.0770 18.7664 178.1552 144 G 3.7626 8.1324 105.8517 45.5454 0.0000 173.3678 145 A 4.5765 7.5907 120.6168 50.8394 20.5289 177.6105 146 S 4.8240 8.5480 113.6664 57.0299 66.0573 173.2424 147 I 4.3734 8.2100 121.7188 59.7226 37.8108 175.6892 148 A 4.1359 9.1712 130.9068 52.7254 19.2490 177.3468 149 G 4.1738 6.8611 100.7427 46.5505 0.0000 171.1086 150 I 4.8925 8.4879 120.4917 59.3839 40.7175 175.1866 151 G 3.9167 9.0633 115.6572 44.5498 0.0000 172.2918 152 I 5.1337 8.7963 125.6839 59.7122 40.4291 176.6240 153 V 3.6969 8.8190 127.3320 65.6917 32.4784 175.5681 154 I 4.8302 8.0407 122.0311 59.3170 40.2839 173.6616 155 E 4.8988 9.3622 128.9920 54.5152 32.0387 175.1187 156 K 4.5849 9.0466 127.5952 55.1854 31.5808 177.7032 157 S 4.2136 9.1075 122.5016 60.5462 63.0456 176.0017 158 F 4.4930 7.9856 113.7890 58.0259 38.2290 175.2639 159 Q 4.5192 7.0242 120.7406 53.8368 30.4362 174.5418 160 P 4.5700 0.0000 0.0000 63.9060 31.7456 178.4876 161 G 3.6885 8.0190 107.0355 48.1532 0.0000 175.5175 162 R 3.9093 7.9342 121.0933 59.2493 30.1344 178.0065 163 D 4.3856 8.1497 118.0195 57.4655 40.2585 178.6118 164 E 4.0207 8.2828 118.9770 59.4614 29.6380 179.4921 165 L 4.1973 7.8806 118.6296 57.8298 41.6806 179.7013 166 V 3.8303 8.1533 118.5362 65.9468 31.2515 177.9473 167 K 3.9274 8.1066 118.4568 59.2853 32.0965 177.9256 168 L 4.2370 7.3377 115.7923 55.0785 41.7439 177.6528 169 G 3.7921 7.9443 107.8603 45.0275 0.0000 172.9590 170 Y 4.6205 7.1703 116.8964 56.9508 39.1810 175.4462 171 R 4.1291 8.8970 124.5060 56.4780 31.3547 174.9389 172 V 4.8274 8.5420 126.9048 61.3364 33.5825 174.7601 173 E 4.6851 9.6287 128.6361 54.9228 31.1935 174.3713 174 S 5.2376 8.4909 120.2385 56.9205 64.0688 174.6195 175 L 4.2409 8.9401 125.2524 56.5911 42.5281 177.3676 176 A 4.6484 8.2877 120.7254 49.9782 22.1607 175.2895 177 R 5.0205 8.8132 121.6009 54.6479 32.8967 175.1155 178 I 4.5799 9.1967 126.7562 60.2286 38.1470 176.7638 179 Q 4.1692 9.4066 130.2985 59.0559 30.1289 175.6435 180 S 4.2949 7.8190 111.0726 56.9815 65.8879 174.5782 181 L 5.1916 7.7348 122.7565 53.4912 42.4797 176.5052 182 E 4.0384 7.9858 119.4967 57.2094 29.8094 176.4351 183 E 3.5135 9.5188 117.8935 57.5327 27.1054 175.2808 184 G 3.9587 9.0285 104.2342 45.9859 0.0000 174.4297 185 K 4.5658 7.5072 115.8924 54.5610 35.6900 175.0196 186 V 4.2488 8.2039 120.9277 62.2829 32.4429 175.0233 187 S 4.6790 8.7559 124.5054 56.7809 65.1048 173.7379 188 F 5.1040 8.6155 123.2495 56.0969 40.5740 176.0295 189 V 4.5362 8.5070 120.3126 62.9613 30.9283 175.7839 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 S 8.32 4.43 0.00 4.15 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 -1 N 8.15 4.42 0.00 2.99 2.96 0.00 0.00 5.92 6.11 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 A 8.99 4.15 1.19 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 E 9.17 4.18 0.00 1.77 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 2.36 2.25 0.00 3 A 8.04 3.88 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.99 3.70 0.00 1.72 1.61 1.00 0.85 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 5 K 7.78 3.74 0.00 1.51 1.21 0.00 1.21 0.00 0.00 0.80 0.00 0.00 2.69 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.43 1.12 7.81 6 R 7.78 3.92 0.00 1.92 2.11 0.00 3.21 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 7 K 7.94 3.86 0.00 1.66 1.25 0.00 1.28 0.00 0.00 1.32 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.30 0.65 7.81 8 I 8.04 4.02 2.39 0.00 0.00 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 1.88 0.84 1.14 0.00 0.00 9 E 8.28 4.08 0.00 2.16 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 2.54 2.90 0.00 10 E 8.44 4.19 0.00 1.95 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 2.35 2.42 0.00 11 E 8.48 4.67 0.00 2.31 2.18 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 2.31 2.26 0.00 12 G 8.25 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 13 V 8.70 4.55 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 0.92 0.00 0.00 0.97 0.00 0.00 14 V 8.52 4.47 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 0.87 0.00 0.00 0.91 0.00 0.00 15 L 9.08 4.56 0.00 1.59 1.55 0.91 0.67 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 16 S 9.55 3.79 0.00 3.96 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 17 D 8.36 4.75 0.00 2.76 2.66 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 18 Q 8.34 4.61 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 19 V 7.79 4.39 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 0.89 0.00 0.00 0.91 0.00 0.00 20 L 8.47 4.91 0.00 1.80 1.77 1.02 0.84 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 21 K 9.20 4.33 0.00 1.83 1.80 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.39 7.81 22 V 7.83 4.58 0.93 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 0.93 0.00 0.00 0.91 0.00 0.00 23 D 8.20 4.57 0.00 2.68 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 24 S 8.17 4.36 0.00 4.08 4.07 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 25 F 7.57 5.01 0.00 3.21 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 26 L 7.77 4.31 0.00 1.29 1.48 0.95 0.68 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 27 N 7.81 4.80 0.00 2.89 2.81 0.00 0.00 7.00 8.16 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 28 H 7.65 5.09 0.00 3.03 3.37 0.00 5.92 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.58 4.35 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.35 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 30 I 8.24 4.63 1.88 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 1.24 0.79 0.94 0.00 0.00 31 D 8.71 4.62 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 32 P 0.00 4.40 0.00 2.09 2.10 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 33 L 8.17 4.08 0.00 1.71 1.79 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.02 3.94 0.00 1.83 1.75 0.80 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 *36 Q 8.28 4.23 0.00 2.15 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.30 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 37 R 8.01 3.89 0.00 1.99 1.90 0.00 3.30 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 38 I 7.99 3.55 1.89 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 1.29 0.94 0.76 0.00 0.00 39 G 8.07 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 40 D 8.50 4.41 0.00 2.93 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 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0.00 0.00 0.00 0.00 0.00 0.00 92 L 9.33 4.75 0.00 1.60 1.56 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.53 5.23 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 1.19 0.00 0.00 94 A 8.76 4.72 1.16 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 95 S 8.53 5.03 0.00 3.90 3.77 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 96 V 9.04 3.81 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 0.89 0.00 0.00 0.85 0.00 0.00 97 Y 7.36 5.08 0.00 2.95 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 98 S 8.88 4.66 0.00 3.90 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 99 F 8.45 4.48 0.00 3.05 2.99 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 *103 T 7.19 4.41 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 1.23 0.00 0.00 104 E 8.82 5.07 0.00 2.14 2.38 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 2.34 2.39 0.00 105 S 8.97 4.78 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 0.00 106 Q 8.59 5.16 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.54 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 107 I 8.78 4.93 1.84 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 1.22 0.72 0.86 0.00 0.00 108 A 8.51 5.19 1.19 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 0.00 109 V 8.73 4.55 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 0.89 0.00 0.00 0.88 0.00 0.00 110 S 8.67 4.35 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 0.00 111 G 9.29 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 0.00 0.00 0.00 112 T 7.37 3.82 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 1.14 0.00 0.00 113 H 7.87 4.78 0.00 3.25 3.30 0.00 5.60 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.65 4.95 0.00 1.51 1.51 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 115 S 9.16 4.86 0.00 3.92 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 0.00 116 D 8.45 4.66 0.00 2.91 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 0.00 117 Q 7.53 4.24 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 118 D 8.00 4.57 0.00 2.81 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 0.00 119 H 9.17 4.99 0.00 3.20 3.31 0.00 5.80 0.00 0.00 0.00 0.00 6.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.81 4.66 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 0.73 0.00 0.00 0.89 0.00 0.00 121 L 8.28 4.63 0.00 1.36 1.23 -0.28 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.09 4.57 1.67 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.55 0.80 0.00 0.00 123 I 8.41 4.72 1.70 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.30 0.72 0.00 0.00 124 D 8.71 4.79 0.00 2.62 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 0.00 125 D 8.99 4.40 0.00 2.78 2.94 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 0.00 126 F 8.23 5.31 0.00 2.90 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 0.00 127 L 9.10 4.39 0.00 1.74 1.53 0.91 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.98 4.57 1.19 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 0.00 129 N 9.19 4.34 0.00 2.74 2.88 0.00 0.00 6.89 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 0.00 130 G 8.28 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 0.00 0.00 0.00 131 Q 8.05 4.02 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.52 2.68 0.00 132 A 7.94 3.93 1.28 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 0.00 0.00 0.00 133 A 7.89 3.84 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 0.00 134 H 8.26 4.16 0.00 3.36 3.35 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 G 8.06 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.05 3.99 0.00 1.74 1.64 0.86 0.62 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 0.00 137 V 7.82 3.37 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 0.45 0.00 0.00 138 S 8.25 4.09 0.00 3.91 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 0.00 139 I 7.73 3.64 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.79 0.87 0.00 0.00 140 V 7.84 3.57 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 1.04 0.00 0.00 0.88 0.00 0.00 141 K 8.17 4.02 0.00 2.03 1.87 0.00 1.88 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.60 7.81 142 Q 8.23 4.02 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 143 A 7.50 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 0.00 144 G 8.13 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 0.00 0.00 0.00 145 A 7.59 4.58 1.30 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 0.00 0.00 146 S 8.55 4.82 0.00 4.07 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 0.00 147 I 8.21 4.37 1.95 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.59 0.78 0.00 0.00 148 A 9.17 4.14 1.14 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 0.00 149 G 6.86 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 0.00 0.00 0.00 0.00 150 I 8.49 4.89 1.84 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 0.96 0.55 0.80 0.00 0.00 151 G 9.06 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 0.00 152 I 8.80 5.13 1.94 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 1.11 1.03 0.99 0.00 0.00 153 V 8.82 3.70 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 0.93 0.00 0.00 1.15 0.00 0.00 154 I 8.04 4.83 0.64 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.35 0.92 0.00 0.00 155 E 9.36 4.90 0.00 2.02 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 2.30 2.27 0.00 156 K 9.05 4.58 0.00 1.46 0.88 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.58 7.81 157 S 9.11 4.21 0.00 4.03 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 0.00 158 F 7.99 4.49 0.00 3.15 3.32 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 0.00 159 Q 7.02 4.52 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.98 0.00 0.00 0.00 0.00 0.00 2.18 1.49 0.00 160 P 0.00 4.57 0.00 2.40 2.27 0.00 3.80 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 2.03 1.97 0.00 161 G 8.02 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 0.00 0.00 0.00 162 R 7.93 3.91 0.00 1.90 1.95 0.00 3.60 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.86 0.00 163 D 8.15 4.39 0.00 2.88 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 0.00 164 E 8.28 4.02 0.00 2.30 2.18 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 2.39 2.53 0.00 165 L 7.88 4.20 0.00 1.91 1.83 0.86 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 166 V 8.15 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 1.09 0.00 0.00 1.00 0.00 0.00 167 K 8.11 3.93 0.00 1.99 1.98 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.49 7.81 168 L 7.34 4.24 0.00 1.95 1.50 1.18 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 169 G 7.94 3.79 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 0.00 0.00 0.00 170 Y 7.17 4.62 0.00 3.13 2.87 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 0.00 171 R 8.90 4.13 0.00 2.01 2.02 0.00 3.13 0.00 0.00 3.38 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.67 0.00 172 V 8.54 4.83 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 0.92 0.00 0.00 1.00 0.00 0.00 173 E 9.63 4.69 0.00 2.21 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 2.41 2.46 0.00 174 S 8.49 5.24 0.00 3.80 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 0.00 175 L 8.94 4.24 0.00 1.59 1.56 0.10 0.42 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 0.00 176 A 8.29 4.65 1.28 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 0.00 0.00 0.00 177 R 8.81 5.02 0.00 1.85 1.94 0.00 3.16 0.00 0.00 3.39 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 178 I 9.20 4.58 2.12 0.00 0.00 1.00 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 0.92 1.10 0.00 0.00 179 Q 9.41 4.17 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 180 S 7.82 4.29 0.00 3.78 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 0.00 181 L 7.73 5.19 0.00 1.76 1.59 1.15 1.17 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 0.00 182 E 7.99 4.04 0.00 1.93 1.79 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 2.20 2.05 0.00 183 E 9.52 3.51 0.00 2.06 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 0.00 2.19 2.25 0.00 184 G 9.03 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 0.00 185 K 7.51 4.57 0.00 1.90 1.83 0.00 1.29 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.31 7.81 186 V 8.20 4.25 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 0.13 0.00 0.00 0.90 0.00 0.00 187 S 8.76 4.68 0.00 3.71 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 0.00 188 F 8.62 5.10 0.00 2.99 2.97 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 0.00 0.00 0.00 0.00 189 V 8.51 4.54 2.18 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 1.07 0.00 0.00 1.07 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.