NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.3200 8.3344 116.7664 57.9379 64.2842 172.6115 5 V 3.5694 8.1067 121.8631 61.8468 31.6594 170.0511 6 V 4.1954 9.0319 128.3470 61.6061 33.7435 174.4879 7 K 4.7243 8.2627 125.0910 54.3512 35.1970 177.3518 8 S 4.1723 8.9184 118.8394 62.0931 62.8088 176.5591 9 E 4.2220 8.1411 116.4372 58.3474 29.4190 176.9603 10 D 4.6884 8.3258 119.8056 54.4406 40.6489 177.7246 11 Y 4.2342 7.6231 119.0977 59.0398 37.8002 176.7444 12 A 4.6057 7.4121 121.2314 51.8011 20.1567 176.1602 13 L 4.5960 7.5239 116.1861 52.0529 43.2562 174.9820 14 P 4.3555 0.0000 0.0000 63.1716 31.7581 175.4494 15 S 4.8422 8.3071 114.4206 56.7567 66.2685 172.1454 16 Y 4.7940 8.2199 120.7618 56.3053 40.0528 175.1359 17 V 3.8666 6.7311 121.6298 60.8915 33.7779 172.3208 18 D 4.3677 8.3145 125.7739 53.2343 41.3478 176.3146 19 R 4.1412 8.3860 116.8058 55.9549 31.5379 176.0798 20 R 3.7040 8.2803 123.4049 58.9340 30.3381 176.7071 21 D 4.8502 7.9641 114.5146 53.3356 40.1565 176.6538 22 Y 5.0078 8.2908 120.2110 55.9232 39.3551 172.4355 23 P 4.4563 0.0000 0.0000 65.0963 31.8449 177.0575 24 L 4.6512 7.2693 119.3204 51.3995 41.3251 174.0279 25 P 4.4778 0.0000 0.0000 62.4879 31.7899 176.8574 26 D 4.5767 8.7452 117.6907 56.1998 41.0918 176.9418 27 V 4.4815 7.5144 116.5858 60.3906 34.8170 174.4246 28 A 3.9722 8.3416 127.6132 51.8430 19.0016 177.1311 29 H 3.5223 8.3523 123.7067 58.1660 29.9167 175.5679 30 V 4.0840 7.2220 118.6989 60.8333 32.7395 174.7091 31 K 4.0863 8.4237 128.6520 58.0836 32.6521 176.5007 32 N 4.7421 7.8723 115.7020 51.8242 39.5695 174.1689 33 L 4.8938 8.2154 123.1200 53.0123 44.1755 177.0456 34 S 4.5126 8.8962 117.7063 57.1114 65.5553 175.2969 35 A 3.9551 8.4945 123.9113 55.7023 17.9204 180.0941 36 S 4.0514 8.0979 111.8147 61.6390 62.8641 176.6882 37 Q 3.9343 7.8077 121.3110 58.8340 28.6994 178.4176 38 K 4.0132 8.5556 119.6238 59.3810 32.0070 179.3116 39 A 3.9549 8.1796 121.2037 55.1166 18.4509 179.2971 40 L 3.9211 8.0936 119.1899 58.4230 41.8698 179.3455 41 K 4.0274 8.4403 117.6901 59.3510 32.1280 178.9993 42 E 4.1257 8.0283 118.6198 59.5034 29.5231 179.3247 43 K 3.8912 8.1834 118.4477 59.6359 31.8459 178.8343 44 E 4.2995 7.9878 118.0102 58.8532 29.5985 178.4930 45 K 4.2305 8.1825 117.4286 58.6707 32.5097 176.8453 46 A 4.3639 7.7288 121.5825 50.6584 20.6767 176.3282 47 S 4.0724 8.3403 111.8556 58.1627 63.0317 175.7397 48 W 4.6230 8.4957 127.1387 59.6256 29.2183 178.5636 49 S 4.2204 7.7805 114.2906 61.5336 62.2701 175.2796 50 S 4.5387 7.8394 113.6775 58.6444 62.6427 174.0004 51 L 4.7580 7.7150 121.2000 53.6471 43.0928 176.8451 52 S 4.6793 9.2743 116.4048 57.2407 65.7711 175.2868 53 I 3.6687 8.2950 124.6390 65.1190 36.9178 178.3629 54 D 4.3732 8.0962 118.7956 57.4488 40.6658 178.6063 55 E 4.0232 8.2579 119.1216 59.3058 29.3892 179.5605 56 K 4.0166 8.3956 119.0923 59.2386 32.0896 179.7101 57 V 3.5837 8.0655 118.9402 66.0106 31.3232 177.6297 58 E 4.0037 8.5688 118.0700 59.1457 29.7977 178.1841 59 L 4.0631 8.3229 120.6864 58.3965 42.1571 178.0660 60 Y 4.1416 8.1253 119.3411 60.9977 38.6375 178.2206 61 R 4.2194 8.6284 117.9904 58.3256 30.5379 178.2066 62 L 4.0805 7.6716 120.3952 57.4264 42.1860 178.4926 63 K 3.4811 7.7860 119.4520 57.8484 32.0872 176.4872 64 F 5.1054 6.7282 114.5079 55.5887 42.0272 175.1002 65 K 4.0786 9.9581 123.9481 57.8059 32.7267 176.6375 66 E 5.0799 8.0552 116.2783 54.1052 32.7549 176.5318 67 S 5.3822 8.9778 118.8687 57.2052 65.6315 175.4663 68 F 3.8969 9.1708 120.7217 60.7728 38.3411 177.7906 69 A 4.0436 8.0920 119.2191 54.9140 18.4745 179.1252 70 E 4.1416 7.8327 115.9887 59.6857 29.6070 179.2444 71 M 4.1033 8.1249 115.7092 57.8742 31.2342 177.2471 72 N 4.7459 7.9870 115.2446 51.8490 39.2004 175.0687 73 R 4.0035 7.4670 122.8247 56.1819 30.6236 176.2893 74 S 4.4650 8.5731 120.3154 57.9832 64.1583 173.4234 75 T 4.5760 8.1785 112.2379 60.3447 70.7438 173.3853 76 N 4.8023 8.3837 115.9649 53.5095 38.9302 177.0677 77 E 3.9287 8.4392 121.7494 59.3117 29.6089 178.4691 78 W 4.5501 8.5568 116.1901 59.9708 27.6386 178.2001 79 K 3.0684 6.4918 117.5060 59.2934 31.3431 179.3925 80 T 3.7873 7.6511 115.8863 66.4601 68.3148 176.7662 81 V 3.6088 7.7370 119.5862 66.1663 31.6881 178.1110 82 V 3.7938 8.4182 118.3942 65.8645 31.4525 178.2521 83 G 3.5688 8.5290 105.6495 47.9512 0.0000 175.6358 84 A 4.1581 8.5036 124.0371 54.4735 18.2696 179.7068 85 A 4.1677 8.2200 119.6365 55.7818 18.5135 179.7658 86 M 4.0838 8.2829 117.2877 58.3282 31.9366 178.7866 87 F 4.0967 8.4303 120.8437 61.5003 39.7300 177.3374 88 F 4.1189 8.0653 117.3479 60.5044 38.4523 177.8305 89 I 3.9834 8.0817 119.0890 63.8849 37.1262 178.5604 90 G 3.6062 8.1015 107.0224 47.8202 0.0000 175.5300 91 F 4.0475 8.1377 124.1178 61.2216 39.1257 177.1904 92 T 3.5657 7.8944 114.8663 66.5100 68.2314 176.2903 93 A 4.0026 7.9263 122.4430 54.7465 18.2158 179.7154 94 L 3.8655 7.6036 117.8288 57.9387 41.6315 179.4499 95 L 3.8173 7.4117 118.2742 57.9466 41.5457 179.5034 96 L 3.9904 7.6520 118.3308 57.7624 41.4309 179.7930 97 I 3.7043 7.9051 119.8143 64.0161 37.0506 178.0409 98 W 4.2556 8.4106 129.4058 60.6860 30.4836 177.5726 99 E 3.9081 8.7595 119.2627 58.9688 28.8227 178.4833 100 K 3.8814 7.6872 118.7011 59.9137 32.3335 177.9464 101 H 3.9443 8.0075 116.8669 58.9946 29.8274 175.9436 102 Y 4.1973 7.3695 116.6800 59.2387 38.5967 177.1385 103 V 3.7675 6.9984 117.6737 64.8765 32.2682 175.7126 104 Y 4.7188 7.9795 118.2224 57.1990 38.2612 176.0329 105 G 3.9399 8.5214 114.3891 43.7260 0.0000 170.9587 106 P 4.3649 0.0000 0.0000 62.1619 31.8859 176.4118 107 I 3.9488 7.8982 114.1569 59.3107 38.8348 173.7633 108 P 4.2557 0.0000 0.0000 63.3623 31.2136 176.9756 109 H 4.2895 8.6546 115.6266 58.0478 28.4711 176.6750 110 T 2.8254 6.9820 108.6474 62.2401 68.4276 174.6817 111 F 4.5815 7.5152 119.9578 57.8040 40.2714 176.7197 112 E 4.1823 7.8357 121.7578 56.1804 31.1303 177.1950 113 E 4.0261 8.9907 122.8865 60.0165 29.6559 179.6433 114 E 3.9557 8.2735 118.2780 59.0369 29.6902 178.3324 115 W 3.9185 8.3095 127.8851 60.7120 30.7751 178.2348 116 V 3.5323 8.0827 111.7105 64.1149 30.9113 178.5697 117 A 4.0221 8.0087 120.7265 55.0339 18.2087 179.7338 118 K 3.7299 8.4030 117.3341 59.7517 32.1165 179.2548 119 Q 3.8624 8.5598 120.4297 59.6911 28.8579 178.6975 120 T 4.1040 8.3630 117.1348 66.2602 68.3761 176.7257 121 K 3.6435 7.9562 121.7275 59.2971 32.2301 178.7948 122 R 3.7962 8.0772 119.1389 59.8005 29.9423 178.2342 123 M 4.0756 8.3987 118.7827 58.6363 31.8426 178.8731 124 L 4.0084 8.1675 118.9359 57.5643 41.3732 179.4158 125 D 4.3445 7.9499 118.9408 57.3047 40.9507 177.8939 126 M 4.2323 8.0041 114.0992 54.8223 32.0116 175.8523 127 K 4.2943 7.6936 117.6568 56.8817 30.0391 176.5504 128 V 3.4185 8.2496 118.7171 64.5133 32.4880 174.9054 129 A 3.7315 8.8507 130.3310 52.7598 15.5601 175.2657 130 P 4.3446 0.0000 0.0000 65.3852 32.1884 179.3452 131 I 3.9452 7.7435 118.8587 63.6891 37.4050 176.0193 132 Q 4.7773 8.1147 116.4464 57.1675 36.1114 175.3520 133 G 3.6276 7.6777 105.3940 46.8061 0.0000 173.3542 134 F 4.8453 8.0441 119.2140 58.4973 42.0553 178.1680 135 S 4.3458 9.1851 118.4361 61.3075 63.2468 176.4055 136 A 4.3459 8.1484 121.0677 53.6335 18.6141 177.5311 137 K 4.8067 8.6584 116.2770 55.7450 33.3140 175.6034 138 W 4.9971 7.9837 128.8615 55.7456 34.0559 174.8954 139 D 4.4545 7.2136 126.5310 52.1489 39.3061 176.0968 140 Y 4.6220 8.1721 120.8419 60.4908 37.8363 177.1427 141 D 4.5212 7.4701 119.6456 56.6731 41.5199 176.7683 142 K 4.0006 8.5306 117.9359 57.0094 32.5648 178.0624 143 N 3.8290 7.8302 115.2471 53.0099 36.1799 172.7529 144 E 4.0419 5.9000 117.7683 54.0483 33.8723 176.1734 145 W 4.6742 8.2492 121.0320 56.6001 29.5083 176.0897 146 K 3.7816 8.1890 126.7684 57.1017 32.3250 176.5451 147 K 4.0650 8.3166 126.2566 57.0825 31.9735 174.8915 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 4 S 8.33 4.32 0.00 3.81 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 5 V 8.11 3.57 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 0.73 0.00 0.00 0.92 0.00 0.00 6 V 9.03 4.20 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 0.91 0.00 0.00 1.03 0.00 0.00 7 K 8.26 4.72 0.00 2.15 2.00 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.36 7.81 8 S 8.92 4.17 0.00 3.92 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 9 E 8.14 4.22 0.00 1.90 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 2.32 2.43 0.00 10 D 8.33 4.69 0.00 2.90 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 11 Y 7.62 4.23 0.00 2.92 3.25 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 12 A 7.41 4.61 1.07 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 0.00 0.00 13 L 7.52 4.60 0.00 1.74 1.58 0.88 0.84 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 14 P 0.00 4.36 0.00 2.07 2.05 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 15 S 8.31 4.84 0.00 3.99 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 16 Y 8.22 4.79 0.00 2.91 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 17 V 6.73 3.87 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 0.69 0.00 0.00 0.83 0.00 0.00 18 D 8.31 4.37 0.00 2.58 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 19 R 8.39 4.14 0.00 1.86 1.91 0.00 2.96 0.00 0.00 3.55 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 20 R 8.28 3.70 0.00 1.82 2.14 0.00 3.36 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.48 0.00 21 D 7.96 4.85 0.00 2.83 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 22 Y 8.29 5.01 0.00 2.74 2.90 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 23 P 0.00 4.46 0.00 2.30 2.46 0.00 3.81 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 24 L 7.27 4.65 0.00 1.53 1.67 0.95 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.48 0.00 2.35 2.19 0.00 4.11 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 2.27 2.31 0.00 26 D 8.75 4.58 0.00 2.95 2.86 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 27 V 7.51 4.48 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 0.84 0.00 0.00 1.00 0.00 0.00 28 A 8.34 3.97 1.11 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 0.00 0.00 29 H 8.35 3.52 0.00 2.21 3.16 0.00 5.90 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.22 4.08 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 0.73 0.00 0.00 0.67 0.00 0.00 31 K 8.42 4.09 0.00 1.71 1.75 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.37 1.40 7.81 32 N 7.87 4.74 0.00 2.70 2.70 0.00 0.00 6.78 7.85 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 33 L 8.22 4.89 0.00 1.58 1.54 0.89 0.96 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 34 S 8.90 4.51 0.00 4.02 3.98 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 0.00 0.00 0.00 35 A 8.49 3.96 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 36 S 8.10 4.05 0.00 4.06 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 37 Q 7.81 3.93 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 38 K 8.56 4.01 0.00 1.93 1.87 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.60 7.81 39 A 8.18 3.95 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 40 L 8.09 3.92 0.00 1.92 1.76 1.02 0.74 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 41 K 8.44 4.03 0.00 1.95 1.87 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.69 1.61 7.81 42 E 8.03 4.13 0.00 2.24 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 2.60 2.50 0.00 43 K 8.18 3.89 0.00 2.01 1.93 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.67 7.81 44 E 7.99 4.30 0.00 2.17 2.27 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 2.67 2.43 0.00 45 K 8.18 4.23 0.00 1.79 1.87 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.35 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.77 7.81 46 A 7.73 4.36 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 47 S 8.34 4.07 0.00 3.81 3.74 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 48 W 8.50 4.62 0.00 3.45 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 49 S 7.78 4.22 0.00 3.86 3.97 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 50 S 7.84 4.54 0.00 4.10 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 51 L 7.71 4.76 0.00 1.89 1.62 1.03 0.82 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 52 S 9.27 4.68 0.00 4.01 4.18 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 53 I 8.29 3.67 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 1.63 0.69 0.90 0.00 0.00 54 D 8.10 4.37 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 55 E 8.26 4.02 0.00 2.25 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 2.34 2.36 0.00 56 K 8.40 4.02 0.00 2.04 1.81 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.38 1.43 7.81 57 V 8.07 3.58 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 0.93 0.00 0.00 0.93 0.00 0.00 58 E 8.57 4.00 0.00 2.07 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 0.00 2.33 2.33 0.00 59 L 8.32 4.06 0.00 2.05 1.68 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.13 4.14 0.00 3.21 3.22 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 61 R 8.63 4.22 0.00 1.84 2.06 0.00 3.49 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.91 0.00 62 L 7.67 4.08 0.00 2.06 1.52 0.88 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.79 3.48 0.00 1.49 1.11 0.00 1.17 0.00 0.00 1.33 0.00 0.00 2.78 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 0.33 7.81 64 F 6.73 5.11 0.00 2.53 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 65 K 9.96 4.08 0.00 1.40 2.33 0.00 1.84 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.18 7.81 66 E 8.06 5.08 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 2.27 2.40 0.00 67 S 8.98 5.38 0.00 4.12 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 68 F 9.17 3.90 0.00 3.04 3.19 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 69 A 8.09 4.04 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 70 E 7.83 4.14 0.00 2.22 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 2.36 2.37 0.00 71 M 8.12 4.10 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 72 N 7.99 4.75 0.00 2.84 2.91 0.00 0.00 6.95 7.82 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 73 R 7.47 4.00 0.00 1.93 2.06 0.00 3.27 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 74 S 8.57 4.47 0.00 4.07 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 75 T 8.18 4.58 4.27 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 1.23 0.00 0.00 76 N 8.38 4.80 0.00 2.73 2.73 0.00 0.00 6.43 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 77 E 8.44 3.93 0.00 2.06 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 2.43 2.39 0.00 78 W 8.56 4.55 0.00 3.65 3.38 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 0.00 0.00 0.00 79 K 6.49 3.07 0.00 1.41 1.34 0.00 1.25 0.00 0.00 1.20 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 0.21 7.81 80 T 7.65 3.79 4.27 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 1.18 0.00 0.00 81 V 7.74 3.61 2.34 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 1.11 0.00 0.00 0.99 0.00 0.00 82 V 8.42 3.79 2.35 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 1.11 0.00 0.00 1.26 0.00 0.00 83 G 8.53 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.50 4.16 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 85 A 8.22 4.17 1.49 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 0.00 0.00 0.00 86 M 8.28 4.08 0.00 2.16 2.35 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.06 2.62 0.00 87 F 8.43 4.10 0.00 3.08 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 88 F 8.07 4.12 0.00 3.27 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 89 I 8.08 3.98 2.05 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 1.51 0.70 0.94 0.00 0.00 90 G 8.10 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 0.00 0.00 0.00 91 F 8.14 4.05 0.00 2.55 2.91 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 92 T 7.89 3.57 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 1.16 0.00 0.00 93 A 7.93 4.00 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 94 L 7.60 3.87 0.00 1.49 1.61 0.99 0.35 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 95 L 7.41 3.82 0.00 1.60 1.56 0.74 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.65 3.99 0.00 1.80 1.72 0.91 1.28 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 97 I 7.91 3.70 2.04 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 1.41 0.71 0.92 0.00 0.00 98 W 8.41 4.26 0.00 3.39 3.36 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 99 E 8.76 3.91 0.00 2.17 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 0.00 1.91 1.47 0.00 100 K 7.69 3.88 0.00 1.90 2.02 0.00 1.88 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.48 7.81 101 H 8.01 3.94 0.00 2.92 2.83 0.00 5.79 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 0.00 102 Y 7.37 4.20 0.00 1.58 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 0.00 103 V 7.00 3.77 1.94 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 0.73 0.00 0.00 0.88 0.00 0.00 104 Y 7.98 4.72 0.00 3.04 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 0.00 105 G 8.52 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 0.00 106 P 0.00 4.36 0.00 2.16 2.03 0.00 3.74 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 1.96 1.93 0.00 107 I 7.90 3.95 1.64 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.27 0.65 0.00 0.00 108 P 0.00 4.26 0.00 2.05 2.18 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.09 0.00 109 H 8.65 4.29 0.00 3.47 3.55 0.00 5.65 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 6.98 2.83 3.39 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 -0.37 0.00 0.00 111 F 7.52 4.58 0.00 3.20 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 0.00 112 E 7.84 4.18 0.00 2.12 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 2.40 2.49 0.00 113 E 8.99 4.03 0.00 2.07 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 2.48 2.47 0.00 114 E 8.27 3.96 0.00 2.09 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 2.37 2.38 0.00 115 W 8.31 3.92 0.00 3.59 3.18 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 0.00 116 V 8.08 3.53 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 0.88 0.00 0.00 1.09 0.00 0.00 117 A 8.01 4.02 1.43 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 0.00 0.00 118 K 8.40 3.73 0.00 1.56 1.58 0.00 1.55 0.00 0.00 1.48 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.37 7.81 119 Q 8.56 3.86 0.00 2.32 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 120 T 8.36 4.10 4.46 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 1.41 0.00 0.00 121 K 7.96 3.64 0.00 1.86 1.94 0.00 1.32 0.00 0.00 1.49 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.39 7.81 122 R 8.08 3.80 0.00 1.82 2.01 0.00 3.09 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 123 M 8.40 4.08 0.00 2.15 2.33 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.57 0.00 124 L 8.17 4.01 0.00 1.60 1.26 -1.11 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 125 D 7.95 4.34 0.00 2.76 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 M 8.00 4.23 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.89 0.00 127 K 7.69 4.29 0.00 1.93 2.07 0.00 1.64 0.00 0.00 1.41 0.00 0.00 2.23 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.40 1.55 7.81 128 V 8.25 3.42 2.25 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 0.92 0.00 0.00 0.99 0.00 0.00 129 A 8.85 3.73 1.51 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 0.00 0.00 130 P 0.00 4.34 0.00 2.28 2.29 0.00 3.85 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 131 I 7.74 3.95 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.59 0.95 0.00 0.00 132 Q 8.11 4.78 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.08 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 133 G 7.68 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 0.00 134 F 8.04 4.85 0.00 3.07 3.33 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 0.00 135 S 9.19 4.35 0.00 4.11 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 0.00 136 A 8.15 4.35 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 0.00 137 K 8.66 4.81 0.00 1.90 1.86 0.00 1.80 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.40 1.42 7.81 138 W 7.98 5.00 0.00 2.82 2.47 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 0.00 139 D 7.21 4.45 0.00 2.32 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 0.00 0.00 0.00 140 Y 8.17 4.62 0.00 3.12 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 0.00 141 D 7.47 4.52 0.00 2.85 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 K 8.53 4.00 0.00 1.59 1.71 0.00 1.94 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.32 7.81 143 N 7.83 3.83 0.00 2.78 3.02 0.00 0.00 6.68 6.94 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 0.00 144 E 5.90 4.04 0.00 1.75 1.72 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 1.88 2.00 0.00 145 W 8.25 4.67 0.00 3.18 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 0.00 146 K 8.19 3.78 0.00 1.70 1.73 0.00 1.95 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.36 7.81 147 K 8.32 4.07 0.00 1.71 1.58 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.32 1.47 7.81