NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9980 8.3549 109.7428 45.5886 0.0000 173.0939 5 S 4.4000 8.6874 113.7904 60.3788 63.6616 175.4044 6 R 3.6074 8.1458 120.4048 59.3773 31.2263 177.3810 7 R 3.6594 7.9873 116.9142 59.1173 29.8752 176.2860 8 Y 4.4603 8.2728 112.9323 57.5549 38.2027 174.7783 9 D 4.5920 7.8121 121.0702 53.7045 41.3893 176.5745 10 S 4.1561 8.7288 123.1814 59.5246 63.6904 173.8826 11 R 3.7883 8.6389 120.4343 57.1166 26.6955 176.9858 12 T 3.9598 7.8005 107.1654 63.2885 69.9811 175.5120 13 T 4.5852 7.2302 112.3755 61.3134 69.2009 173.1177 14 I 4.4945 7.3029 113.7464 59.6876 41.0596 174.8091 15 F 4.8235 8.4151 119.7865 56.7955 39.9729 176.0397 16 S 4.6864 8.3900 118.4204 55.7011 64.1830 173.5578 17 P 4.2967 0.0000 0.0000 65.1545 31.0096 177.3645 18 E 4.2330 8.1167 115.6046 55.9446 29.6770 176.3433 19 G 3.5988 8.2804 107.3979 46.3655 0.0000 173.8069 20 R 4.5799 7.7400 117.4173 53.9317 32.9204 175.8138 21 L 4.6829 8.0263 120.4517 54.0415 42.0849 177.0608 22 Y 3.5855 7.2784 119.5698 61.5682 37.8010 178.8680 23 Q 3.9650 8.0200 117.8101 59.2495 28.8800 179.5813 24 V 3.5749 7.5694 118.4781 66.0195 31.6848 177.7651 25 E 3.9673 8.0945 118.3136 59.7837 29.3024 179.0615 26 Y 4.4760 8.2516 116.9263 60.9233 37.8667 178.1363 27 A 4.0856 8.5816 122.3968 55.0983 18.4737 179.6672 28 L 3.9334 8.3003 117.8569 57.8852 41.4511 179.2906 29 E 3.9495 8.0155 118.4612 59.1992 29.8256 178.5658 30 S 4.2997 8.0938 113.1799 61.5822 62.4466 176.1082 31 I 3.7197 7.9678 122.8314 64.3653 36.6461 178.2010 32 S 4.2010 7.9437 113.3563 60.4627 62.7601 174.4749 33 H 4.7186 7.7663 118.1454 55.4823 29.1843 174.6282 34 A 4.3945 7.9489 123.5261 50.7957 19.4392 177.6983 35 G 4.0404 8.4521 106.8307 46.3738 0.0000 173.4681 36 T 4.3814 8.5730 119.2840 63.1660 69.9211 173.3023 37 A 5.1905 8.5422 126.4435 50.1996 21.9366 175.2999 38 I 4.6184 9.5071 123.0478 59.3211 41.2321 174.8870 39 G 4.4164 8.6750 111.7249 44.5435 0.0000 171.9026 40 I 4.7298 8.8980 125.4324 59.6928 41.0288 173.8785 41 M 4.7902 8.8410 126.7775 54.0041 33.4985 174.8936 42 A 4.8377 8.9312 129.0339 49.8173 22.1120 176.2484 43 S 4.2973 8.6864 113.4247 60.8619 63.1250 175.0277 44 D 4.8579 8.8326 118.1206 50.9029 39.6051 175.8808 45 G 4.0393 6.8734 108.3725 46.3158 0.0000 171.2711 46 I 5.1136 7.7070 118.5970 59.4083 41.0992 175.4299 47 V 4.4962 8.9843 125.1681 61.0566 34.4134 174.1807 48 L 5.3006 8.5841 126.1913 52.9565 44.5409 175.6955 49 A 4.8685 9.1294 124.4468 50.3412 22.8261 174.5709 50 A 5.0405 8.4091 120.8548 50.4807 22.4722 175.0386 51 E 4.4199 9.1836 122.3710 54.5511 31.4421 175.6250 52 R 4.2522 8.5633 126.6354 55.6173 30.2015 176.2275 53 K 3.9566 8.5703 125.3728 56.8106 32.8489 173.0175 54 V 3.2057 8.5956 131.7807 62.7112 32.3683 171.3387 55 T 4.6937 8.0775 114.5471 60.7189 71.8017 172.0610 56 S 4.6726 8.0805 114.6532 56.7897 65.7472 174.6779 57 T 3.8846 8.5303 119.9983 66.7011 68.1636 175.9571 58 L 4.1953 7.7402 118.3557 55.6867 42.1613 176.9838 59 L 3.9010 7.2804 121.9655 54.8122 42.3492 176.0551 60 E 4.2136 8.5982 127.1311 55.4485 28.7224 175.5891 61 Q 4.1891 8.4920 128.5648 58.1911 29.7313 177.6639 62 D 4.3655 8.1683 117.0341 57.0297 40.9504 176.9732 63 T 4.3546 7.7559 112.4345 63.2797 69.1775 174.3904 63A S 4.5215 7.1863 115.9805 57.7436 63.5029 174.0333 64 T 4.0887 7.8078 119.1543 63.3780 70.6055 173.0049 65 E 4.8098 8.7183 123.1003 55.6166 31.2032 176.4272 66 K 4.6330 7.6870 116.3237 56.1437 36.2629 175.5683 67 L 5.1768 7.6642 119.2973 53.0938 43.4484 175.7569 68 Y 4.7957 8.8776 121.4946 55.8707 41.9320 174.6161 69 K 4.5270 8.7854 124.2155 55.7370 32.6069 176.1262 70 L 4.4072 8.7075 127.3662 55.9926 42.8342 175.4065 71 N 4.8931 7.5329 113.8774 52.8056 41.6399 172.9047 72 D 4.6577 8.5952 116.8007 55.3382 41.4191 177.0760 73 K 4.7283 7.9201 116.7488 55.8543 34.7127 175.5112 74 I 5.2594 7.6438 120.5324 59.6483 41.6848 173.9984 75 A 5.1795 9.3385 126.6427 50.7091 23.2981 175.1726 76 V 4.9351 8.9613 111.2628 59.5614 36.5154 174.6023 77 A 5.2262 8.8192 124.3604 50.2944 21.5021 175.6221 78 V 4.7906 8.9327 122.2921 61.2194 34.0411 175.5193 79 A 4.3304 9.3732 128.1656 53.2974 21.2998 175.0139 80 G 3.7488 8.4146 112.1970 45.8289 0.0000 171.4643 81 L 4.1020 8.2156 124.7054 54.9030 41.9542 177.7461 82 T 3.8732 8.9171 121.3241 66.7826 68.5447 176.0848 83 A 3.9984 8.0497 121.8364 55.3910 18.3759 179.1897 84 D 4.4354 8.1386 116.4755 57.5365 41.0199 178.5803 85 A 3.9791 8.1220 121.2684 55.4222 18.3735 179.5301 86 E 3.7754 8.3986 117.1379 59.4231 29.3232 179.6526 87 I 3.7045 7.6105 119.3648 64.4698 37.1829 178.5366 88 L 3.8296 7.5909 119.3038 57.5945 41.3406 179.5560 89 I 3.4941 8.1596 120.2318 64.3064 37.0281 177.9664 90 N 4.2575 8.1201 118.0734 56.9241 38.7460 177.0676 91 T 3.9391 7.7244 111.0487 64.5135 68.8612 176.5365 92 A 3.9633 8.0407 123.8611 55.0774 18.4122 179.7607 93 R 3.8961 8.1957 116.7617 59.4281 30.0377 179.4335 94 I 3.7356 7.7631 119.5775 64.6287 37.1238 177.8890 95 H 4.1990 8.5139 119.0201 59.3072 29.6427 177.1244 96 A 3.9698 8.1151 122.5495 55.2996 18.1840 179.6504 97 Q 4.0655 7.9917 116.0673 58.8469 28.7941 178.5322 98 N 4.3438 8.4871 118.0316 56.2862 38.5196 176.7117 99 Y 3.9510 8.0524 120.9415 60.7031 38.8983 177.8564 100 L 4.5620 8.0301 122.5705 57.7096 41.9508 178.9111 101 K 3.9450 8.0527 118.5244 59.4417 32.1407 178.7401 102 T 3.7938 7.5056 115.5424 65.7019 68.5504 175.0856 103 Y 4.5141 7.5052 114.8446 56.7843 39.3147 175.2733 104 N 4.4148 8.3415 116.2812 53.8260 36.8685 173.8945 105 E 4.8432 7.8467 114.5140 54.6377 33.9116 175.0995 106 D 4.7233 8.5671 121.6428 54.0791 41.6077 176.1764 107 I 2.8218 8.0227 122.5647 59.5764 38.6290 174.6785 108 P 4.1731 0.0000 0.0000 62.3069 32.9157 177.1777 109 V 3.4837 8.3687 122.3300 66.4660 31.3897 178.2623 110 E 3.7996 7.9670 118.0717 59.0828 29.5081 178.4724 111 I 3.5949 7.5402 119.4364 64.3294 37.2512 177.9058 112 L 3.9327 7.3825 121.0394 58.1520 41.8313 179.1597 113 V 2.9177 7.4545 118.1698 65.7017 31.2728 177.9810 114 R 3.7974 8.2565 118.9423 59.2317 29.8839 178.4828 115 R 3.8230 7.9819 118.5210 59.4238 30.2225 178.5219 116 L 3.9869 7.7731 118.6438 58.0265 41.5597 179.7490 117 S 4.2586 8.3583 115.2376 61.6575 62.7005 176.5431 118 D 4.3855 8.3170 121.9167 57.2488 40.3033 178.7749 119 I 3.8241 7.6018 119.5897 64.3846 36.9525 178.2974 120 K 4.2744 8.0446 118.9971 59.5877 31.9331 179.0236 121 Q 4.1746 8.4678 120.1852 59.1323 28.7869 178.7122 122 G 3.6529 8.2022 106.6262 48.1562 0.0000 175.0384 123 Y 3.9043 7.8435 116.0800 59.8260 37.9101 177.9322 124 T 4.2676 7.7655 115.9033 64.2230 69.2013 175.0094 125 Q 4.4390 7.9755 119.9889 56.1391 30.9349 174.2588 126 H 4.6701 7.6965 110.6032 55.1486 30.2086 172.7659 127 G 3.8121 8.8389 107.8983 44.1479 0.0000 175.1970 128 G 3.9557 7.8444 105.3390 46.1797 0.0000 173.0948 129 L 4.6902 6.8917 119.0432 52.1210 43.8319 176.8008 130 R 4.0932 8.1341 116.8526 55.5182 30.0626 174.7798 131 P 4.5229 0.0000 0.0000 61.8351 32.3750 175.7831 132 F 4.3408 8.3719 118.5299 57.3767 40.0871 177.4186 133 G 4.0303 8.8034 115.3461 45.0133 0.0000 172.8399 134 V 4.8432 7.2485 117.8082 61.4198 35.7782 175.1069 135 S 4.6416 8.4906 121.3633 56.7048 66.5188 173.1001 136 F 5.4305 8.7391 121.6954 55.6828 42.3252 174.7481 137 I 4.4875 8.3173 121.8123 59.9181 39.8301 174.0843 138 Y 5.0116 8.8531 124.8954 56.4585 39.6649 175.0195 139 A 4.7406 9.3463 126.1621 50.2979 21.6933 175.3672 140 G 4.8972 8.5273 108.3601 45.9611 0.0000 170.9417 141 Y 4.9559 8.3294 120.0343 56.0535 41.6623 173.7246 142 D 4.6911 7.4838 124.2026 51.6721 42.5771 174.6125 143 D 4.5063 8.5273 117.4674 53.7208 39.3606 176.3728 144 R 4.0933 8.3238 126.3373 56.7506 30.0725 175.4172 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 G 8.35 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.69 4.40 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.15 3.61 0.00 1.84 1.91 0.00 3.16 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 7 R 7.99 3.66 0.00 1.53 1.23 0.00 2.21 0.00 0.00 2.90 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.35 0.00 8 Y 8.27 4.46 0.00 2.96 2.98 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 9 D 7.81 4.59 0.00 2.71 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 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.73 4.16 0.00 3.91 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.64 3.79 0.00 2.00 1.96 0.00 3.11 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 12 T 7.80 3.96 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 13 T 7.23 4.59 4.31 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 1.16 0.00 0.00 14 I 7.30 4.49 1.95 0.00 0.00 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 1.68 1.21 0.92 0.00 0.00 15 F 8.42 4.82 0.00 3.09 2.84 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 16 S 8.39 4.69 0.00 3.77 2.84 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 17 P 0.00 4.30 0.00 2.09 2.19 0.00 3.74 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 2.10 2.19 0.00 18 E 8.12 4.23 0.00 1.88 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 0.00 2.26 2.34 0.00 19 G 8.28 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 0.00 0.00 0.00 20 R 7.74 4.58 0.00 1.69 1.69 0.00 3.06 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 21 L 8.03 4.68 0.00 1.59 1.49 0.83 0.25 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 22 Y 7.28 3.59 0.00 2.87 2.45 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 23 Q 8.02 3.96 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 24 V 7.57 3.57 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 1.15 0.00 0.00 0.91 0.00 0.00 25 E 8.09 3.97 0.00 2.00 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 2.45 2.39 0.00 26 Y 8.25 4.48 0.00 2.96 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 27 A 8.58 4.09 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 28 L 8.30 3.93 0.00 1.93 1.75 0.93 1.10 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 29 E 8.02 3.95 0.00 2.05 2.29 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 2.35 2.43 0.00 30 S 8.09 4.30 0.00 3.99 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 31 I 7.97 3.72 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.80 0.94 0.00 0.00 32 S 7.94 4.20 0.00 3.96 4.05 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 33 H 7.77 4.72 0.00 3.30 3.34 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.95 4.39 1.24 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 0.00 0.00 0.00 35 G 8.45 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.57 4.38 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 37 A 8.54 5.19 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 38 I 9.51 4.62 1.87 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 1.17 0.71 0.92 0.00 0.00 39 G 8.67 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 0.00 0.00 0.00 0.00 40 I 8.90 4.73 1.88 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 1.12 0.68 0.92 0.00 0.00 41 M 8.84 4.79 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 42 A 8.93 4.84 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 43 S 8.69 4.30 0.00 4.00 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 44 D 8.83 4.86 0.00 2.77 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 45 G 6.87 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.71 5.11 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.76 0.97 0.00 0.00 47 V 8.98 4.50 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 1.07 0.00 0.00 0.94 0.00 0.00 48 L 8.58 5.30 0.00 1.52 1.53 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 49 A 9.13 4.87 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 50 A 8.41 5.04 1.17 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 51 E 9.18 4.42 0.00 2.01 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 52 R 8.56 4.25 0.00 1.83 1.96 0.00 3.25 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.60 0.00 53 K 8.57 3.96 0.00 1.79 1.72 0.00 2.04 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.43 7.81 54 V 8.60 3.21 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 0.84 0.00 0.00 0.93 0.00 0.00 55 T 8.08 4.69 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 56 S 8.08 4.67 0.00 3.81 3.68 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 57 T 8.53 3.88 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 58 L 7.74 4.20 0.00 1.62 1.72 0.92 0.93 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 59 L 7.28 3.90 0.00 1.53 1.69 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.60 4.21 0.00 1.95 1.87 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 2.27 2.35 0.00 61 Q 8.49 4.19 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.36 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 62 D 8.17 4.37 0.00 2.68 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 63 T 7.76 4.35 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 63A S 7.19 4.52 0.00 4.04 3.73 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 T 7.81 4.09 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 0.63 0.00 0.00 65 E 8.72 4.81 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 2.14 2.28 0.00 66 K 7.69 4.63 0.00 1.64 1.81 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.44 7.81 67 L 7.66 5.18 0.00 1.34 1.47 0.90 0.72 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 68 Y 8.88 4.80 0.00 2.83 2.78 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 69 K 8.79 4.53 0.00 1.79 1.75 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.50 7.81 70 L 8.71 4.41 0.00 1.79 1.68 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.53 4.89 0.00 2.62 2.79 0.00 0.00 6.97 8.47 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 72 D 8.60 4.66 0.00 2.72 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 73 K 7.92 4.73 0.00 1.71 2.02 0.00 1.67 0.00 0.00 2.11 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.46 7.81 74 I 7.64 5.26 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.91 0.96 0.00 0.00 75 A 9.34 5.18 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 76 V 8.96 4.94 1.80 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 0.24 0.00 0.00 0.79 0.00 0.00 77 A 8.82 5.23 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 78 V 8.93 4.79 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 0.75 0.00 0.00 1.32 0.00 0.00 79 A 9.37 4.33 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 80 G 8.41 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.22 4.10 0.00 1.68 1.64 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.92 3.87 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 83 A 8.05 4.00 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 84 D 8.14 4.44 0.00 2.95 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 85 A 8.12 3.98 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 86 E 8.40 3.78 0.00 2.12 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 0.00 2.04 2.46 0.00 87 I 7.61 3.70 2.08 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 1.79 1.08 0.99 0.00 0.00 88 L 7.59 3.83 0.00 1.91 1.71 0.60 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.16 3.49 1.80 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.62 0.73 0.00 0.00 90 N 8.12 4.26 0.00 2.81 2.92 0.00 0.00 7.02 6.63 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 91 T 7.72 3.94 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 1.23 0.00 0.00 92 A 8.04 3.96 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 93 R 8.20 3.90 0.00 2.03 1.99 0.00 3.11 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.82 0.00 94 I 7.76 3.74 2.04 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 1.42 0.75 0.94 0.00 0.00 95 H 8.51 4.20 0.00 3.23 3.48 0.00 5.78 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 96 A 8.12 3.97 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 97 Q 7.99 4.07 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 98 N 8.49 4.34 0.00 2.95 2.90 0.00 0.00 6.55 7.83 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 99 Y 8.05 3.95 0.00 3.18 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 0.00 100 L 8.03 4.56 0.00 1.93 1.88 1.03 0.54 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 0.00 101 K 8.05 3.95 0.00 1.85 1.92 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.44 7.81 102 T 7.51 3.79 3.59 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 0.02 0.00 0.00 103 Y 7.51 4.51 0.00 2.63 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.34 4.41 0.00 2.89 2.93 0.00 0.00 6.72 7.27 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 0.00 105 E 7.85 4.84 0.00 2.14 1.90 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 2.35 2.53 0.00 106 D 8.57 4.72 0.00 2.70 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 0.00 107 I 8.02 2.82 1.49 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.36 0.74 0.00 0.00 108 P 0.00 4.17 0.00 1.99 1.82 0.00 2.89 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 109 V 8.37 3.48 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 0.91 0.00 0.00 0.88 0.00 0.00 110 E 7.97 3.80 0.00 1.98 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 2.29 2.31 0.00 111 I 7.54 3.59 1.74 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.51 0.88 0.00 0.00 112 L 7.38 3.93 0.00 1.52 1.66 0.87 0.78 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 0.00 113 V 7.45 2.92 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 0.60 0.00 0.00 -0.22 0.00 0.00 114 R 8.26 3.80 0.00 1.91 2.00 0.00 3.14 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 1.61 1.61 0.00 115 R 7.98 3.82 0.00 1.90 2.01 0.00 3.14 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.57 0.00 116 L 7.77 3.99 0.00 1.90 1.81 0.89 0.75 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 0.00 117 S 8.36 4.26 0.00 4.00 3.95 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 0.00 118 D 8.32 4.39 0.00 2.96 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 0.00 119 I 7.60 3.82 2.07 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 1.59 0.64 0.98 0.00 0.00 120 K 8.04 4.27 0.00 2.11 1.95 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.58 7.81 121 Q 8.47 4.17 0.00 2.25 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 122 G 8.20 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 0.00 0.00 0.00 123 Y 7.84 3.90 0.00 3.16 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 7.77 4.27 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 1.15 0.00 0.00 125 Q 7.98 4.44 0.00 1.91 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 126 H 7.70 4.67 0.00 3.17 3.20 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.84 3.81 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 0.00 128 G 7.84 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 0.00 129 L 6.89 4.69 0.00 1.80 1.60 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.13 4.09 0.00 1.90 1.92 0.00 3.00 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 131 P 0.00 4.52 0.00 2.07 2.08 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 132 F 8.37 4.34 0.00 2.87 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 0.00 133 G 8.80 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 0.00 0.00 0.00 134 V 7.25 4.84 1.74 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 -0.18 0.00 0.00 0.82 0.00 0.00 135 S 8.49 4.64 0.00 3.82 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 0.00 136 F 8.74 5.43 0.00 2.40 1.88 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 0.00 137 I 8.32 4.49 1.87 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 1.25 0.75 0.94 0.00 0.00 138 Y 8.85 5.01 0.00 2.78 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 0.00 139 A 9.35 4.74 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 0.00 140 G 8.53 4.90 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 0.00 0.00 0.00 141 Y 8.33 4.96 0.00 2.98 2.78 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 0.00 142 D 7.48 4.69 0.00 2.61 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 0.00 143 D 8.53 4.51 0.00 2.82 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 0.00 144 R 8.32 4.09 0.00 1.65 1.83 0.00 3.23 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00