NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.4600 8.1227 122.4656 52.1247 20.6610 175.3188 4 S 4.8250 8.5404 114.8653 56.5451 65.7996 171.3923 5 I 4.5311 9.6829 129.8171 59.4927 40.1666 173.7311 6 A 4.9823 8.5548 128.6995 49.9438 21.6038 175.5978 7 V 4.0677 8.0746 121.1553 60.8451 34.8115 174.3740 8 E 4.4381 8.6949 127.5198 55.7849 30.1065 177.8887 9 A 4.4336 9.1079 127.5386 54.7492 18.6470 178.5219 10 E 4.4294 8.2986 111.5534 58.2267 30.0217 176.6710 11 N 4.7191 8.1472 117.4414 52.9886 38.9077 175.3252 12 F 3.9349 7.7234 112.8029 56.9288 38.4082 174.8480 13 N 4.6797 9.1019 120.3727 56.4368 39.0894 175.4194 14 A 4.8025 7.8362 117.3346 51.0981 22.5708 175.7327 15 V 4.2227 7.8114 112.3896 59.9338 36.2169 175.0866 16 G 3.1704 6.6636 107.1659 46.5593 0.0000 172.2740 17 G 3.9726 8.6722 106.4268 45.6497 0.0000 171.3674 *26 P 3.9804 0.0000 0.0000 60.7708 32.8227 176.4838 27 V 3.9305 7.8960 118.3015 63.9155 31.7668 175.0135 28 S 4.9181 9.2456 122.1362 56.9916 67.8695 172.5904 29 V 5.2261 8.5563 120.8109 61.6991 33.1940 174.1749 30 Y 5.1550 9.4029 124.4235 55.9220 42.0275 173.7134 31 T 5.0447 8.4723 116.0696 61.9116 71.7230 174.3424 32 V 4.3819 8.7471 123.3481 61.9925 34.4725 173.8804 33 N 4.2558 9.8295 119.5268 54.1932 36.1464 174.7085 34 G 3.9636 8.3130 102.0582 46.3409 0.0000 173.7122 35 N 4.8422 8.2689 117.4770 51.8948 40.0768 174.0286 36 T 4.9395 8.1465 118.0816 62.2234 70.7630 173.5212 37 A 4.8245 8.8254 126.2518 51.0692 23.7579 174.4275 38 I 5.2767 8.9973 112.5019 59.9776 40.4913 175.2294 39 N 5.2537 8.9689 120.3390 52.4252 40.8886 173.3550 40 Y 3.6361 7.8284 113.0557 59.3040 35.7813 171.2667 41 V 3.6807 7.4394 119.6166 61.9081 31.4180 174.8279 42 N 4.6541 9.1645 126.4874 50.7752 40.4739 174.4198 43 Q 4.1289 7.8666 120.7707 58.0320 28.8144 177.0934 44 G 4.0822 9.1875 113.6540 45.6242 0.0000 173.1828 45 D 4.7242 7.6103 119.9054 54.9183 42.2020 174.8840 46 Y 5.4003 7.9502 117.3194 56.0098 42.1638 173.3799 47 A 4.8520 9.0378 121.0326 50.3369 22.8197 174.7349 48 D 5.4768 9.0972 121.8346 52.8888 43.4648 175.2550 49 Y 5.1773 9.1902 119.1409 56.6823 42.4496 174.3282 50 T 5.0235 8.2017 119.2218 62.3981 70.4481 174.5117 51 I 4.7392 9.1290 126.0188 59.6472 41.4704 174.1244 52 A 4.9301 8.7084 128.4957 50.8396 20.6435 176.4875 53 V 4.1875 8.8650 121.2840 61.0621 33.5096 176.4322 54 A 4.0862 8.9304 131.6872 54.2535 18.7868 177.1777 55 Q 4.7428 7.8741 113.4241 53.5833 31.7133 175.7853 56 A 4.1675 9.0135 125.6004 51.9888 19.2644 177.0138 57 G 3.9387 7.3171 107.4427 46.3004 0.0000 170.3136 58 N 5.2832 8.3210 118.9651 52.7795 39.9790 173.6815 59 Y 4.7884 9.0131 124.3773 56.4573 40.8887 175.1378 60 T 4.6437 9.0827 121.3274 62.5527 70.3918 173.6689 61 I 4.5976 8.6771 127.1745 59.8488 39.2854 174.6586 62 S 4.9479 8.8144 121.3035 56.6406 65.6103 172.1617 63 Y 5.0721 9.0201 124.3280 56.7768 40.8477 175.1155 64 Q 5.1825 9.2448 122.5753 54.3974 29.1636 174.3473 65 A 5.4746 9.1249 125.1242 50.0274 23.2473 174.7774 66 G 4.6019 9.5317 105.4063 45.0590 0.0000 171.5455 67 S 4.2868 8.3401 113.7049 56.1940 66.2672 174.2006 68 G 3.1968 5.3800 110.6961 43.5887 0.0000 172.6895 69 V 4.4460 6.7155 111.7113 59.4503 35.8669 174.9061 70 T 4.1400 8.1845 118.0369 64.5348 69.2668 175.3383 71 G 4.1223 9.1866 114.0954 45.1581 0.0000 172.3878 72 G 4.6420 7.9592 106.5453 44.2103 0.0000 173.5879 73 S 5.2039 8.7297 118.5291 57.0210 68.0045 172.9281 74 I 4.3595 8.7109 125.4189 59.9499 38.4978 174.2070 75 E 4.9409 9.1981 129.6098 54.8026 31.3835 174.2269 76 F 5.0740 9.4769 130.3770 56.8413 41.1734 174.4123 77 L 5.5759 8.7110 125.7822 52.9907 46.0036 175.6168 78 V 5.0538 8.8745 120.6598 61.1136 34.9007 174.0293 79 N 4.2564 8.9312 127.4518 53.1306 39.3446 174.2052 80 E 4.3714 9.3973 127.8128 55.1404 31.2128 176.2180 81 N 3.9424 9.7572 124.6320 54.3097 36.1074 175.5518 82 G 3.7785 8.0426 102.3465 45.2477 0.0000 172.5589 83 S 4.6592 7.5335 114.4298 55.8470 65.5860 173.0311 84 W 4.8542 8.8231 126.4311 56.1966 29.7425 175.4996 85 A 4.6873 9.3579 128.6635 50.0953 20.1253 176.0517 86 S 4.3679 8.9168 118.3720 59.2871 62.6731 172.6891 87 K 4.7240 9.4219 126.1910 57.6980 33.4777 176.3541 88 T 4.8387 7.7857 108.2475 60.0785 72.8864 172.0262 89 V 4.9255 8.3915 121.5845 61.6133 34.5642 174.6634 90 T 4.7021 9.0181 124.2863 61.4276 71.8000 173.4098 91 A 4.5836 8.7690 128.6893 51.4365 19.4034 176.4010 92 V 4.2422 8.4015 122.4320 60.3177 32.7929 174.2502 93 P 4.2481 0.0000 0.0000 62.8920 32.0958 176.2211 94 N 4.6342 8.3890 120.4849 52.5419 37.5566 174.5149 95 Q 4.4462 8.2926 122.2370 55.1000 30.6817 176.1462 96 G 3.8725 8.0694 106.5654 45.1968 0.0000 175.4453 97 W 4.3879 8.5871 123.4029 59.6796 29.1338 176.7455 98 D 4.3566 7.9736 114.2834 54.2967 41.0417 176.6771 99 N 4.5326 7.2306 120.1926 51.9472 36.8918 173.1568 100 F 4.7524 7.3556 119.4637 57.3551 40.1995 174.8680 101 Q 4.8902 9.3092 122.3423 52.9780 33.1098 173.0567 102 P 4.8836 0.0000 0.0000 63.1810 32.4160 175.4489 103 L 4.6980 8.9400 124.3053 53.2073 45.4109 174.6447 104 N 4.6051 9.1292 126.1069 53.6203 39.2669 174.3763 105 G 4.1698 9.0430 113.5494 45.7030 0.0000 175.0157 106 G 4.0090 9.3578 107.8740 44.6533 0.0000 172.8737 107 S 5.2114 8.1658 115.7828 56.9708 68.2463 173.7169 108 V 4.4504 8.8282 121.2055 60.4515 34.5475 173.4493 109 Y 4.8303 8.8371 126.9814 57.2163 39.8458 174.3383 110 L 4.7848 8.0535 126.0629 52.4928 45.4357 176.5853 111 S 4.6413 8.7960 117.9183 57.8144 64.1556 173.7743 112 A 4.1372 8.5417 123.1244 52.1530 18.8538 178.2172 113 G 3.5630 7.6403 108.9544 44.9952 0.0000 171.3592 114 T 5.0060 7.9930 117.7991 62.3191 70.3663 174.1327 115 H 5.0320 9.5565 122.8863 54.0699 33.1438 172.4576 116 Q 5.1119 8.5805 119.9843 54.7522 30.5611 174.7365 117 V 5.0202 9.0589 124.0845 61.0767 34.8932 174.1102 118 R 4.9327 8.9382 126.6413 54.4400 33.3099 173.6946 119 L 5.0019 9.1143 126.5608 53.4013 43.8960 174.8384 120 H 5.4350 9.2932 124.1144 54.3324 33.2241 173.2969 121 G 4.1963 9.4019 113.4060 46.0137 0.0000 173.3943 122 A 4.4305 9.0771 127.1238 51.8688 19.9675 177.4148 123 G 3.9605 7.9008 104.8825 44.3402 0.0000 173.8382 124 S 4.2913 8.4219 112.7461 60.1325 63.5750 174.3488 125 N 4.5965 8.0130 120.0293 52.9399 39.5027 174.0692 126 N 4.2384 8.9179 122.4698 55.7465 39.6302 174.5580 127 W 4.4270 8.8830 116.9526 55.5102 31.0154 174.4621 128 Q 4.7411 9.0760 119.6073 55.3584 30.6987 175.1981 129 W 5.3525 7.3623 117.0954 56.3760 31.1786 173.3570 130 N 5.7057 10.0245 118.6408 51.8975 41.6184 173.7379 131 L 5.0777 8.9743 122.4576 54.0947 45.4370 176.2787 132 D 4.0367 9.2951 127.3693 56.1421 42.1313 175.7489 133 K 4.9881 7.6613 114.9804 56.5984 35.7043 173.0505 134 F 5.4450 8.7205 114.7785 55.9801 41.6996 173.4725 135 T 5.0392 9.2458 115.8408 61.7924 73.0236 172.8661 136 L 5.2499 8.9956 124.6566 53.1794 44.7202 175.7233 137 S 5.2477 9.2147 119.4399 56.7333 66.8986 173.8103 138 N 4.3105 8.8824 121.7892 53.7496 38.5870 173.8199 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 A 8.12 4.46 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 4 S 8.54 4.83 0.00 3.93 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 5 I 9.68 4.53 1.76 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.57 0.81 0.00 0.00 6 A 8.55 4.98 1.10 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 0.00 0.00 7 V 8.07 4.07 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.58 0.00 0.00 8 E 8.69 4.44 0.00 1.94 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 0.00 2.33 2.23 0.00 9 A 9.11 4.43 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 0.00 0.00 10 E 8.30 4.43 0.00 2.13 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 0.00 2.29 2.28 0.00 11 N 8.15 4.72 0.00 2.98 2.89 0.00 0.00 6.96 6.97 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 12 F 7.72 3.93 0.00 2.93 2.62 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 13 N 9.10 4.68 0.00 2.66 2.99 0.00 0.00 6.70 7.51 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 14 A 7.84 4.80 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 15 V 7.81 4.22 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 -0.60 0.00 0.00 0.59 0.00 0.00 16 G 6.66 3.17 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 17 G 8.67 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 0.00 0.00 0.00 *26 P 0.00 3.98 0.00 2.06 1.98 0.00 3.62 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 27 V 7.90 3.93 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 0.59 0.00 0.00 0.61 0.00 0.00 28 S 9.25 4.92 0.00 4.06 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 29 V 8.56 5.23 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 0.97 0.00 0.00 1.20 0.00 0.00 30 Y 9.40 5.15 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.47 5.04 4.25 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 1.22 0.00 0.00 32 V 8.75 4.38 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 0.79 0.00 0.00 1.05 0.00 0.00 33 N 9.83 4.26 0.00 2.91 2.95 0.00 0.00 6.99 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 34 G 8.31 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 35 N 8.27 4.84 0.00 2.97 2.70 0.00 0.00 6.92 6.62 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 36 T 8.15 4.94 4.41 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 1.25 0.00 0.00 37 A 8.83 4.82 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 38 I 9.00 5.28 2.10 0.00 0.00 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 1.77 1.03 1.33 0.00 0.00 39 N 8.97 5.25 0.00 2.28 2.67 0.00 0.00 6.98 7.28 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 40 Y 7.83 3.64 0.00 3.16 3.01 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 0.00 0.00 0.00 41 V 7.44 3.68 1.63 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 -0.17 0.00 0.00 0.66 0.00 0.00 42 N 9.16 4.65 0.00 2.54 2.34 0.00 0.00 6.28 5.48 0.00 0.00 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 Q 7.87 4.13 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.64 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 44 G 9.19 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.61 4.72 0.00 2.48 2.30 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 46 Y 7.95 5.40 0.00 3.02 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 47 A 9.04 4.85 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 48 D 9.10 5.48 0.00 2.63 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 9.19 5.18 0.00 3.10 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 50 T 8.20 5.02 4.32 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 1.26 0.00 0.00 51 I 9.13 4.74 1.97 0.00 0.00 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 1.21 1.14 0.89 0.00 0.00 52 A 8.71 4.93 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.87 4.19 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 0.72 0.00 0.00 54 A 8.93 4.09 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 55 Q 7.87 4.74 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 56 A 9.01 4.17 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 57 G 7.32 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 58 N 8.32 5.28 0.00 2.84 2.72 0.00 0.00 6.75 7.54 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 59 Y 9.01 4.79 0.00 2.90 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 60 T 9.08 4.64 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 61 I 8.68 4.60 1.35 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.21 0.09 0.00 0.00 62 S 8.81 4.95 0.00 3.78 3.60 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 63 Y 9.02 5.07 0.00 2.87 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 64 Q 9.24 5.18 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 65 A 9.12 5.47 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 66 G 9.53 4.60 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 0.00 0.00 0.00 67 S 8.34 4.29 0.00 3.85 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 68 G 5.38 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 6.72 4.45 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 0.91 0.00 0.00 1.08 0.00 0.00 70 T 8.18 4.14 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 1.21 0.00 0.00 71 G 9.19 4.12 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 0.00 0.00 0.00 72 G 7.96 4.64 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 73 S 8.73 5.20 0.00 3.89 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 74 I 8.71 4.36 0.99 0.00 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.10 0.00 0.00 75 E 9.20 4.94 0.00 2.12 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 2.33 2.34 0.00 76 F 9.48 5.07 0.00 3.29 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 77 L 8.71 5.58 0.00 1.66 1.86 0.83 0.94 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 78 V 8.87 5.05 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 0.90 0.00 0.00 1.24 0.00 0.00 79 N 8.93 4.26 0.00 1.44 2.12 0.00 0.00 7.04 8.51 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 80 E 9.40 4.37 0.00 1.96 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 2.43 0.00 81 N 9.76 3.94 0.00 2.77 2.79 0.00 0.00 7.26 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 82 G 8.04 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 0.00 0.00 0.00 83 S 7.53 4.66 0.00 3.87 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 84 W 8.82 4.85 0.00 3.18 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 9.36 4.69 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 86 S 8.92 4.37 0.00 4.03 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 87 K 9.42 4.72 0.00 2.08 1.88 0.00 1.84 0.00 0.00 1.89 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.81 1.78 7.81 88 T 7.79 4.84 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 1.21 0.00 0.00 89 V 8.39 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 0.88 0.00 0.00 1.00 0.00 0.00 90 T 9.02 4.70 4.29 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 1.35 0.00 0.00 91 A 8.77 4.58 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 92 V 8.40 4.24 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 0.89 0.00 0.00 0.80 0.00 0.00 93 P 0.00 4.25 0.00 2.06 1.96 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 94 N 8.39 4.63 0.00 2.85 2.62 0.00 0.00 6.85 6.69 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 95 Q 8.29 4.45 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.36 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 96 G 8.07 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 0.00 0.00 0.00 97 W 8.59 4.39 0.00 3.25 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 7.97 4.36 0.00 2.62 2.63 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 99 N 7.23 4.53 0.00 2.64 2.86 0.00 0.00 7.15 6.88 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 0.00 100 F 7.36 4.75 0.00 3.11 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 9.31 4.89 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.99 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 102 P 0.00 4.88 0.00 2.10 2.09 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 103 L 8.94 4.70 0.00 1.83 1.70 0.96 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 104 N 9.13 4.61 0.00 2.77 2.73 0.00 0.00 7.09 7.98 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 0.00 105 G 9.04 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 0.00 106 G 9.36 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.17 5.21 0.00 3.70 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 0.00 108 V 8.83 4.45 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 0.55 0.00 0.00 1.03 0.00 0.00 109 Y 8.84 4.83 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.05 4.78 0.00 1.37 1.20 0.68 0.54 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 0.00 111 S 8.80 4.64 0.00 3.96 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 0.00 112 A 8.54 4.14 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 0.00 113 G 7.64 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 0.00 114 T 7.99 5.01 4.21 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 0.00 0.00 0.00 1.22 0.00 0.00 115 H 9.56 5.03 0.00 3.10 3.20 0.00 5.79 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.58 5.11 0.00 1.88 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.25 0.00 117 V 9.06 5.02 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 0.22 0.00 0.00 1.05 0.00 0.00 118 R 8.94 4.93 0.00 0.74 0.72 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.34 0.00 119 L 9.11 5.00 0.00 1.82 1.48 0.33 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 120 H 9.29 5.44 0.00 3.14 3.28 0.00 5.77 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 0.00 121 G 9.40 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 9.08 4.43 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 0.00 123 G 7.90 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 0.00 124 S 8.42 4.29 0.00 4.01 4.02 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 0.00 0.00 0.00 125 N 8.01 4.60 0.00 2.98 3.10 0.00 0.00 7.16 7.11 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 0.00 126 N 8.92 4.24 0.00 2.71 2.56 0.00 0.00 6.98 7.68 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 0.00 127 W 8.88 4.43 0.00 3.39 3.37 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 0.00 128 Q 9.08 4.74 0.00 1.56 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.62 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00 129 W 7.36 5.35 0.00 3.56 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 0.00 130 N 10.02 5.71 0.00 3.47 3.51 0.00 0.00 6.71 6.64 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 0.00 131 L 8.97 5.08 0.00 2.07 1.81 1.06 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 132 D 9.30 4.04 0.00 1.58 2.43 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 0.00 133 K 7.66 4.99 0.00 1.87 2.00 0.00 1.48 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.29 1.37 7.81 134 F 8.72 5.45 0.00 3.16 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 0.00 135 T 9.25 5.04 4.21 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 0.00 0.00 0.00 1.24 0.00 0.00 136 L 9.00 5.25 0.00 1.46 1.53 0.96 0.71 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 0.00 137 S 9.21 5.25 0.00 3.72 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 0.00 138 N 8.88 4.31 0.00 1.44 2.06 0.00 0.00 7.05 7.08 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 * Residues marked with a * may have inaccurate shift predictions.