NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.2863 8.3049 120.3202 55.3311 33.1881 175.9847 1 M 4.2521 8.0174 123.9516 53.2753 34.7430 175.6599 2 R 3.9503 8.2589 119.0748 60.0449 30.8299 177.6100 3 Y 4.1120 8.0237 117.0818 59.8682 37.9392 177.9340 4 L 3.3568 6.5773 121.7062 57.9122 42.2059 178.3381 5 H 4.1241 7.6569 116.3118 58.5906 28.7443 177.5251 6 K 3.9013 7.9691 121.3515 59.7790 32.0019 178.7328 7 I 3.9104 7.6149 118.4033 64.0745 37.9148 177.6768 8 E 4.1218 8.4222 119.5578 58.9889 29.3141 179.1460 9 L 3.9684 8.1150 120.7652 58.2029 42.1013 178.6629 10 E 4.0386 8.1874 118.8652 59.1258 29.5078 178.7826 11 L 4.0958 8.4521 119.6237 57.8621 41.6713 179.1478 12 N 4.5210 8.2543 117.7229 55.7221 38.2534 177.7249 13 R 4.0069 7.9831 119.3351 58.9394 30.0794 179.0490 14 L 4.1225 7.7137 119.3234 58.0510 41.1760 179.5819 15 T 4.1381 8.3656 109.8612 64.9577 68.3624 176.2834 16 S 4.1706 7.8143 114.7522 60.0760 62.4387 175.1272 17 R 4.3433 7.3993 120.1544 56.4581 30.9980 175.3564 18 Y 4.7009 8.1774 119.2863 55.5226 38.3695 174.7527 19 P 4.3453 0.0000 0.0000 64.9396 31.8031 177.6405 20 F 4.4031 8.4201 115.5630 57.2145 39.2227 174.4590 21 F 4.5681 8.3550 124.7174 56.8025 39.6395 174.5874 22 K 3.9793 7.8500 129.4486 54.0520 33.7191 175.1629 23 K 3.8245 7.8277 127.6826 54.1290 32.1260 175.5213 24 I 3.7728 7.4388 119.3907 59.5852 38.5648 175.7973 25 A 3.8110 7.8854 123.9181 51.7110 18.8048 177.7901 26 F 4.5570 7.7908 119.9765 57.0508 39.9277 175.6008 27 D 4.4497 8.8488 123.0517 54.3560 41.9024 177.0649 28 A 4.0873 8.7803 129.3785 55.3332 18.3588 178.8643 29 E 3.9783 8.3186 117.3687 59.5563 29.8283 178.9549 30 I 3.8757 8.2083 119.8494 63.9599 37.0432 178.5712 31 I 3.7489 7.9094 120.9890 64.5028 36.8152 178.4534 32 K 4.0129 7.6779 117.4108 59.4642 32.0913 179.2034 33 L 4.1676 7.7969 119.3277 57.8225 41.7134 179.4855 34 V 3.4749 7.9833 118.2447 66.0082 31.1122 177.3908 35 D 4.5835 8.2303 118.3074 57.0590 40.8051 177.3884 36 D 4.7922 7.5393 115.4022 53.7392 41.4105 176.7386 37 L 4.0550 7.4329 120.2401 54.9626 42.5134 177.5084 38 N 4.6575 8.3523 122.2896 52.1344 37.3730 173.2893 39 V 4.5097 6.8275 112.4657 58.4695 36.6254 175.3724 40 D 4.5694 8.2903 120.7401 54.1940 42.4166 177.3816 41 E 3.8517 8.5459 120.5349 59.6131 29.5659 178.5608 42 N 4.1369 7.8632 116.1579 56.1487 38.6926 177.4497 43 V 3.3794 7.1719 119.1467 65.6001 31.6468 178.1340 44 K 3.6275 7.4045 118.5745 59.0923 31.6181 179.2458 45 C 3.8911 7.4778 116.9436 62.5668 27.8688 175.7099 46 A 4.3514 7.6660 122.3365 55.4306 17.9350 179.6105 47 I 3.5280 7.7105 118.0210 64.7170 37.3115 178.8857 48 V 3.4450 7.7235 118.5945 65.6701 31.1921 177.9808 49 A 4.0284 8.3602 121.0203 55.3682 18.4524 179.5547 50 I 3.4425 7.8829 117.2297 63.5982 37.8664 177.6680 51 D 4.1062 7.7556 119.2434 57.6259 41.1445 178.3848 52 T 3.9790 7.8440 116.1571 66.4095 68.1854 176.3741 53 S 4.1263 7.9718 114.4235 62.1580 62.8029 176.1939 54 M 4.3074 8.0484 120.7740 58.3625 31.5630 179.0798 55 R 4.1642 8.1930 118.3687 59.3569 30.3502 178.7628 56 M 4.4073 8.3891 118.2330 57.7559 31.7105 178.2428 57 Q 4.1222 8.0452 120.2076 59.4470 28.9664 177.9736 58 D 4.5406 8.0586 118.3287 56.3101 41.0136 177.6796 59 F 4.6447 8.0770 116.2115 56.7797 39.4443 175.7255 60 I 3.8936 7.2269 118.7162 61.6557 36.7032 174.9736 61 N 4.8820 9.0702 127.4272 52.3960 40.4737 174.7034 62 E 4.4058 8.5750 116.7542 58.0262 30.4361 176.6903 63 D 4.6128 7.9373 117.4981 55.2568 41.6395 176.5766 64 N 5.0601 7.8228 114.3736 51.8796 38.5010 176.1315 65 K 4.0347 8.1599 120.4596 60.3899 32.7586 178.1701 66 D 4.5917 8.1991 115.3138 53.8936 39.9050 176.1834 67 S 5.0664 7.9682 114.3427 59.8445 64.0479 175.7670 68 F 4.0071 9.1452 120.7102 60.2801 38.4201 177.8757 69 V 3.6611 7.7901 117.0239 66.2741 31.7085 177.8819 70 L 4.1849 7.9809 118.0908 57.9078 41.3666 179.5822 71 S 4.4992 8.1590 115.1032 61.7179 62.5948 176.6408 72 T 4.0570 8.1591 112.1891 64.2465 68.5234 176.3256 73 D 4.4782 8.0382 122.1964 56.9473 40.8143 179.0504 74 V 3.6091 7.7230 112.5710 64.3670 31.6723 178.3965 75 L 3.9287 7.8815 118.8058 57.9262 41.5316 179.8084 76 S 4.2876 8.0037 114.9974 61.4012 62.7986 176.4936 77 A 4.2370 8.2962 123.7217 54.8469 18.0267 179.7412 78 L 3.6365 9.0568 118.6991 57.8240 41.5071 179.0751 79 F 4.3577 7.9871 119.2001 62.0357 39.0263 176.4424 80 Y 4.2556 8.1651 118.3260 60.4004 38.3362 177.5696 81 K 3.7324 7.7853 120.1496 59.3818 32.3387 178.1733 82 Y 4.5368 8.0364 116.1750 59.6579 37.9648 176.5010 83 L 4.8587 7.4893 118.3145 54.3228 42.2488 177.7512 84 S 4.5751 8.0691 114.4849 58.5533 64.5738 173.7579 85 Q 4.2509 7.7656 120.4172 53.4285 29.6749 172.2479 86 P 4.4390 0.0000 0.0000 61.5278 32.4013 176.1760 87 F 4.7894 8.4531 121.3949 58.5069 39.3337 176.0008 88 Y 4.1511 8.3660 129.2741 56.0739 35.1881 175.5762 89 Q 3.0057 7.2875 124.6689 59.0839 29.5627 177.1300 90 H 4.1730 8.0599 118.4518 59.5300 30.0691 176.8754 91 D 4.5299 8.1937 120.1940 57.0291 40.5919 178.4823 92 F 4.3590 8.4800 121.4884 61.4718 39.0054 177.0600 93 L 3.9027 8.2130 118.7609 57.8235 41.3883 179.9040 94 V 3.5306 7.7156 117.8761 66.1988 31.6121 178.2487 95 L 4.3101 8.2552 118.9060 57.7659 41.6483 179.5414 96 T 3.9498 8.2429 110.2167 64.4653 68.5646 176.3722 97 D 4.2689 7.7757 120.3558 57.4364 41.2117 177.8522 98 C 3.9946 8.0561 117.3085 62.7831 27.6076 176.3890 99 V 3.7021 7.9615 119.8256 65.9859 31.0073 178.0306 100 S 4.0890 7.8964 112.4241 61.6299 62.2373 176.4467 101 R 4.1946 8.2361 122.3889 58.5442 29.6585 178.8270 102 I 3.6541 7.9638 118.6256 63.7851 37.7904 177.6690 103 N 4.4238 7.9087 117.0237 55.9447 37.8362 177.2870 104 E 3.9715 7.8471 120.3450 59.4378 29.6483 179.3760 105 L 4.0820 8.1246 119.0147 57.4944 41.4024 179.6588 106 K 4.0669 7.6505 118.1179 59.1118 32.2742 179.4262 107 S 4.2483 7.8770 115.3965 61.8388 62.8817 176.8311 108 I 3.7548 7.6738 121.9960 64.2105 36.5118 178.5251 109 R 3.9178 7.6795 118.8079 59.1490 29.9605 178.1015 110 A 4.1303 7.9481 119.6589 53.7335 19.3083 177.3625 111 T 4.5766 7.1900 111.1717 60.1093 67.3587 174.0339 112 I 4.4084 7.2643 119.3124 60.4569 41.3170 173.4515 113 T 4.4600 8.3788 116.0519 61.4360 70.7984 174.6089 114 D 4.3657 8.0822 121.6012 54.7704 42.6296 176.1611 115 E 3.8982 8.7414 127.3919 59.5532 29.9680 179.1897 116 I 3.7635 7.7104 112.4261 63.9251 37.8222 177.7486 117 A 4.0752 7.8446 121.3952 54.3630 18.1566 179.4560 118 L 3.9085 7.6524 119.1230 58.5936 42.3272 178.5128 119 H 4.1633 8.2219 118.2161 59.2666 29.7532 177.0342 120 N 4.3854 8.2055 118.3957 56.1806 38.5073 177.3578 121 I 3.7226 7.6597 119.6164 63.9353 38.0856 177.5966 122 N 4.2746 8.1973 117.4609 56.1855 38.5271 176.9936 123 K 3.8589 7.7863 120.4216 59.8688 32.0255 178.5661 124 Q 4.0597 7.7751 118.2344 59.0148 28.9144 177.8302 125 I 3.8610 7.7590 121.0794 64.3246 37.0482 177.7346 126 H 4.1125 8.5434 118.5209 58.6671 30.0135 175.9877 127 Y 4.6766 7.5113 115.9216 57.8682 37.7727 176.8020 128 M 3.7815 7.3010 121.4188 58.8517 32.2592 177.8017 129 F 4.7344 7.8795 113.9257 58.1687 40.0671 176.6434 130 I 4.5326 7.6368 111.6390 61.5654 38.7174 177.5921 131 Q 4.0179 8.0409 120.2567 58.5241 28.3848 176.5463 132 P 4.2741 0.0000 0.0000 64.3114 31.3002 176.3645 133 Y 4.7362 7.5719 114.6938 57.5030 38.4872 175.6786 134 M 4.3735 8.2607 125.8311 55.8326 33.3181 174.9369 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 0 M 8.30 4.29 0.00 1.77 2.01 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 1 M 8.02 4.25 0.00 2.25 1.92 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.74 0.00 2 R 8.26 3.95 0.00 1.91 1.97 0.00 3.21 0.00 0.00 3.57 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 3 Y 8.02 4.11 0.00 3.20 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 4 L 6.58 3.36 0.00 0.91 1.29 0.79 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 5 H 7.66 4.12 0.00 3.34 3.29 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 7.97 3.90 0.00 1.84 1.96 0.00 1.78 0.00 0.00 1.44 0.00 0.00 2.95 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.49 1.49 7.81 7 I 7.61 3.91 1.79 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 1.72 1.68 0.89 0.00 0.00 8 E 8.42 4.12 0.00 2.18 2.05 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 2.66 2.67 0.00 9 L 8.11 3.97 0.00 1.96 1.89 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.19 4.04 0.00 2.22 2.05 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 2.31 2.37 0.00 11 L 8.45 4.10 0.00 1.87 1.95 1.28 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.25 4.52 0.00 3.06 2.90 0.00 0.00 6.63 7.79 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 13 R 7.98 4.01 0.00 2.08 1.98 0.00 3.14 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 14 L 7.71 4.12 0.00 1.58 1.34 0.34 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.37 4.14 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 1.42 0.00 0.00 16 S 7.81 4.17 0.00 3.91 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.40 4.34 0.00 1.51 1.69 0.00 2.98 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.50 0.00 18 Y 8.18 4.70 0.00 3.11 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 19 P 0.00 4.35 0.00 2.03 2.07 0.00 3.87 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 20 F 8.42 4.40 0.00 3.17 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.36 4.57 0.00 3.02 3.24 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 22 K 7.85 3.98 0.00 1.53 1.19 0.00 1.46 0.00 0.00 1.52 0.00 0.00 3.03 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.31 0.89 7.81 23 K 7.83 3.82 0.00 1.50 1.49 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.72 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.02 1.21 7.81 24 I 7.44 3.77 1.53 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.49 0.52 0.00 0.00 25 A 7.89 3.81 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.79 4.56 0.00 3.09 2.89 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 27 D 8.85 4.45 0.00 2.88 2.64 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 28 A 8.78 4.09 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 29 E 8.32 3.98 0.00 2.13 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 2.52 2.51 0.00 30 I 8.21 3.88 1.91 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.35 0.94 0.00 0.00 31 I 7.91 3.75 2.09 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.05 0.97 0.00 0.00 32 K 7.68 4.01 0.00 1.90 1.93 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.67 1.68 7.81 33 L 7.80 4.17 0.00 1.84 1.75 1.09 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.98 3.47 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 0.52 0.00 0.00 0.91 0.00 0.00 35 D 8.23 4.58 0.00 2.93 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.54 4.79 0.00 2.67 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 37 L 7.43 4.05 0.00 1.66 1.41 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.35 4.66 0.00 2.66 2.77 0.00 0.00 6.81 7.71 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 39 V 6.83 4.51 1.92 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 0.70 0.00 0.00 0.60 0.00 0.00 40 D 8.29 4.57 0.00 2.65 2.55 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 41 E 8.55 3.85 0.00 2.03 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 2.34 2.45 0.00 42 N 7.86 4.14 0.00 2.38 2.95 0.00 0.00 6.79 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 43 V 7.17 3.38 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 0.83 0.00 0.00 0.45 0.00 0.00 44 K 7.40 3.63 0.00 1.32 0.74 0.00 1.07 0.00 0.00 0.77 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.97 1.35 7.81 45 C 7.48 3.89 0.00 2.15 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 46 A 7.67 4.35 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.71 3.53 1.84 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.62 0.84 0.00 0.00 48 V 7.72 3.44 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 0.23 0.00 0.00 0.92 0.00 0.00 49 A 8.36 4.03 1.68 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 0.00 0.00 50 I 7.88 3.44 1.13 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.51 -0.14 0.00 0.00 51 D 7.76 4.11 0.00 2.83 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 52 T 7.84 3.98 4.39 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 1.30 0.00 0.00 53 S 7.97 4.13 0.00 3.98 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 54 M 8.05 4.31 0.00 2.25 2.32 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 2.94 2.96 0.00 55 R 8.19 4.16 0.00 2.00 2.16 0.00 3.48 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.10 0.00 56 M 8.39 4.41 0.00 2.11 2.33 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.32 0.00 57 Q 8.05 4.12 0.00 2.50 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 58 D 8.06 4.54 0.00 2.54 2.54 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 59 F 8.08 4.64 0.00 3.37 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 60 I 7.23 3.89 1.94 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.91 0.96 0.00 0.00 61 N 9.07 4.88 0.00 2.58 2.73 0.00 0.00 6.99 8.09 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 62 E 8.58 4.41 0.00 1.93 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 2.24 2.25 0.00 63 D 7.94 4.61 0.00 2.61 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 64 N 7.82 5.06 0.00 2.68 2.76 0.00 0.00 6.03 7.20 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 65 K 8.16 4.03 0.00 2.00 2.41 0.00 1.52 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.47 7.81 66 D 8.20 4.59 0.00 2.72 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 7.97 5.07 0.00 4.16 4.35 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 68 F 9.15 4.01 0.00 3.17 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 69 V 7.79 3.66 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 0.88 0.00 0.00 1.05 0.00 0.00 70 L 7.98 4.18 0.00 1.81 1.75 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.16 4.50 0.00 3.90 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 72 T 8.16 4.06 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 73 D 8.04 4.48 0.00 2.95 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 74 V 7.72 3.61 1.91 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 0.72 0.00 0.00 1.07 0.00 0.00 75 L 7.88 3.93 0.00 1.88 2.00 1.04 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.00 4.29 0.00 4.05 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 77 A 8.30 4.24 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 78 L 9.06 3.64 0.00 1.79 1.62 0.94 0.66 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 79 F 7.99 4.36 0.00 3.07 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 0.00 80 Y 8.17 4.26 0.00 3.21 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 81 K 7.79 3.73 0.00 1.72 1.51 0.00 1.54 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.23 1.42 7.81 82 Y 8.04 4.54 0.00 3.09 3.02 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 83 L 7.49 4.86 0.00 1.72 1.72 0.94 0.48 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 84 S 8.07 4.58 0.00 3.69 3.67 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 0.00 0.00 0.00 0.00 85 Q 7.77 4.25 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.09 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 86 P 0.00 4.44 0.00 1.91 1.94 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.00 0.00 87 F 8.45 4.79 0.00 2.82 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 88 Y 8.37 4.15 0.00 3.01 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 89 Q 7.29 3.01 0.00 1.73 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.92 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 90 H 8.06 4.17 0.00 3.29 3.33 0.00 5.92 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 91 D 8.19 4.53 0.00 2.87 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 92 F 8.48 4.36 0.00 3.13 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 93 L 8.21 3.90 0.00 1.89 1.72 1.00 0.79 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 94 V 7.72 3.53 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 0.93 0.00 0.00 0.73 0.00 0.00 95 L 8.26 4.31 0.00 2.23 1.97 1.26 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.24 3.95 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 0.45 0.00 0.00 97 D 7.78 4.27 0.00 2.92 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 98 C 8.06 3.99 0.00 3.44 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 99 V 7.96 3.70 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 0.99 0.00 0.00 0.88 0.00 0.00 100 S 7.90 4.09 0.00 3.94 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 0.00 101 R 8.24 4.19 0.00 1.80 1.89 0.00 3.14 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 102 I 7.96 3.65 1.66 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 1.49 1.23 1.02 0.00 0.00 103 N 7.91 4.42 0.00 2.94 2.85 0.00 0.00 6.89 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 0.00 104 E 7.85 3.97 0.00 2.15 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 2.52 0.00 105 L 8.12 4.08 0.00 1.65 1.68 0.91 0.52 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 0.00 106 K 7.65 4.07 0.00 1.67 1.87 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.61 7.81 107 S 7.88 4.25 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 0.00 108 I 7.67 3.75 1.86 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 1.40 1.23 0.90 0.00 0.00 109 R 7.68 3.92 0.00 2.01 2.16 0.00 3.36 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 110 A 7.95 4.13 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 7.19 4.58 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 1.27 0.00 0.00 112 I 7.26 4.41 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 1.47 0.55 0.99 0.00 0.00 113 T 8.38 4.46 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 1.20 0.00 0.00 114 D 8.08 4.37 0.00 2.80 2.60 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 0.00 115 E 8.74 3.90 0.00 2.11 1.92 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 2.37 2.42 0.00 116 I 7.71 3.76 1.88 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 1.64 0.46 0.91 0.00 0.00 117 A 7.84 4.08 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.65 3.91 0.00 1.96 1.83 0.91 1.34 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 0.00 119 H 8.22 4.16 0.00 3.31 3.44 0.00 5.83 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 N 8.21 4.39 0.00 2.85 2.85 0.00 0.00 6.62 7.37 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 0.00 121 I 7.66 3.72 1.95 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 1.50 1.33 1.00 0.00 0.00 122 N 8.20 4.27 0.00 2.82 2.80 0.00 0.00 6.62 7.01 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 0.00 123 K 7.79 3.86 0.00 2.02 2.02 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.71 1.64 7.81 124 Q 7.78 4.06 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 125 I 7.76 3.86 1.97 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 1.36 0.74 0.89 0.00 0.00 126 H 8.54 4.11 0.00 2.91 3.14 0.00 5.93 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 7.51 4.68 0.00 3.24 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 0.00 128 M 7.30 3.78 0.00 1.20 1.94 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.01 0.00 129 F 7.88 4.73 0.00 3.10 3.06 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 0.00 130 I 7.64 4.53 1.97 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 1.98 0.84 1.01 0.00 0.00 131 Q 8.04 4.02 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.84 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 132 P 0.00 4.27 0.00 1.57 1.90 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 133 Y 7.57 4.74 0.00 3.12 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 0.00 134 M 8.26 4.37 0.00 1.93 1.88 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.51 0.00