NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2902 8.3049 120.3469 53.8844 34.4991 174.8562 2 D 3.8869 7.8844 117.3400 54.4711 37.4131 171.2114 3 A 4.2966 7.8156 121.7285 50.8627 20.0022 177.2321 4 V 4.0750 7.8665 122.4956 61.9419 31.1568 175.8070 5 A 4.3160 8.1707 127.9823 53.5005 19.2171 178.7238 6 V 3.7908 7.6969 108.1164 62.0251 31.8771 175.2227 7 Y 5.5711 7.6252 121.8659 55.3985 37.2092 175.4136 8 H 4.1859 7.8041 120.9303 55.8993 30.3310 176.3328 9 G 3.4884 6.2750 105.3424 44.1232 0.0000 174.3111 10 K 4.7413 8.4567 126.9888 54.3257 33.3218 175.4022 11 I 4.6168 7.8701 118.5430 57.9887 40.9505 175.3675 12 S 5.1599 8.2401 117.1438 57.5425 64.3486 175.1404 13 R 3.8899 8.4158 124.0972 59.5461 29.7600 178.1030 14 E 3.9758 8.1623 118.5127 59.3193 29.5924 178.9335 15 T 3.9165 7.7437 115.6571 66.6234 68.7140 176.8308 16 G 3.6554 7.9592 107.3446 47.7222 0.0000 175.4474 17 E 3.9728 8.2006 121.0781 59.2877 29.6061 179.6556 18 K 4.0381 7.9483 118.3069 59.6683 32.0968 179.1384 19 L 3.9455 7.9812 120.4506 57.9108 41.3892 179.4382 20 L 3.8722 7.5685 116.7455 57.4198 41.7839 179.1772 21 L 4.1160 7.8913 118.7830 57.1645 41.2478 179.3242 22 A 4.0380 7.8791 120.7229 55.3738 18.4590 179.3636 23 T 3.8267 7.2847 106.8076 62.6345 68.9994 174.3300 24 G 3.8806 7.6794 107.2716 46.0785 0.0000 173.9509 25 L 4.5217 7.4312 117.9029 52.3679 45.2824 176.2052 26 D 4.5471 8.5535 124.6099 55.7029 40.9005 177.2557 27 G 4.4426 9.0278 111.8431 45.1605 0.0000 173.1663 28 S 5.5893 8.6302 117.3358 58.1606 63.8946 173.0564 29 Y 6.1878 8.9668 121.5648 54.4989 42.1280 173.8648 30 L 4.6357 8.4713 118.1805 54.5694 44.7158 174.5671 31 L 5.0262 8.6219 120.7515 53.3490 43.4754 175.7218 32 R 5.1585 8.6745 120.4013 53.9493 32.8363 174.6655 33 D 4.9352 8.6857 121.4380 54.1493 41.8218 175.8122 34 S 4.2076 8.8554 121.2174 58.2307 63.5503 173.7421 35 E 4.4882 8.8935 127.1661 56.3530 29.4142 177.2594 36 S 4.3264 7.8833 110.7715 57.9579 64.5690 173.6545 37 V 4.2629 7.7910 119.7923 59.6538 32.2062 172.6922 38 P 4.2089 0.0000 0.0000 63.9533 31.6079 177.2104 39 G 3.8338 8.8237 108.1066 45.4363 0.0000 173.0491 40 V 4.3953 7.2177 119.8357 61.1566 34.5064 174.8463 41 Y 4.9312 8.6026 124.6484 57.4362 40.8306 174.5173 42 C 5.2427 9.0755 117.6650 58.6727 32.4760 173.2961 43 L 5.5100 9.0343 127.4975 53.5644 43.2590 174.9592 44 C 6.2284 8.9608 123.4374 57.1978 31.7190 172.8283 45 V 5.1049 8.6508 122.8922 61.0230 34.0110 173.8920 46 L 4.7771 8.8811 130.7383 54.8868 43.2653 175.3661 47 Y 5.3718 8.9316 123.1025 58.0417 42.1045 174.9556 48 H 4.0496 9.6576 120.6447 56.9708 26.3353 176.5336 49 G 3.8416 8.4454 107.1919 45.7863 0.0000 173.7866 50 Y 4.4063 7.8003 118.4678 56.2858 39.1675 174.7807 51 I 4.1623 8.2433 126.1887 60.7593 37.8422 175.3730 52 Y 4.1063 8.9588 127.0628 57.7920 38.6162 175.0529 53 T 4.7178 8.1993 121.5571 62.3816 70.4955 174.1012 54 Y 4.9436 8.7339 122.7744 56.2445 42.0233 174.8858 55 R 4.8115 8.9155 123.4351 55.9119 32.1349 175.4645 56 V 4.7291 9.0617 123.8234 61.4030 33.7199 174.4240 57 S 5.2770 8.8399 123.1647 56.8099 67.5114 173.4538 58 Q 3.8893 8.3032 124.1774 55.2799 29.5776 175.9458 59 T 4.1852 8.2462 115.6786 60.8167 69.6573 175.2611 60 E 4.0123 8.3977 119.2857 58.9148 29.6965 177.9827 61 T 3.9358 7.3014 115.4601 64.3959 68.6813 175.6229 62 G 3.8483 7.9274 110.5372 44.5694 0.0000 173.6444 63 S 4.6951 7.4745 114.8457 57.3827 65.1411 173.1818 64 W 5.0374 8.8423 123.1748 56.1436 30.4580 175.6181 65 S 5.1625 8.7514 117.1057 57.9797 66.4310 173.0444 66 A 4.9923 8.5068 121.6967 49.6471 21.8162 175.7774 67 E 4.2435 8.7386 120.1972 56.8165 30.3419 176.4532 68 T 4.6527 8.2880 120.5519 61.2869 72.3179 174.0370 69 A 4.1789 8.3619 127.7079 51.1602 19.0549 175.4462 70 P 4.7839 0.0000 0.0000 64.8166 29.3987 175.0221 71 G 3.4005 8.0436 114.0717 45.3211 0.0000 171.5038 72 V 4.3433 7.6111 120.7068 61.1307 33.5717 174.3502 73 H 4.7568 8.5552 122.9793 54.2568 29.9019 174.4363 74 K 4.4192 8.2545 125.1952 54.1852 34.2022 175.5678 75 R 3.9723 8.0584 122.0629 55.5073 30.7515 175.2738 76 Y 4.2476 7.7542 116.8873 56.5490 39.9346 174.8346 77 F 5.3285 8.6825 120.8196 56.0543 42.4901 175.3123 78 R 4.6931 8.2607 119.5158 55.9921 30.5188 174.6106 79 K 4.2783 7.9224 113.0300 54.2072 34.6293 174.9849 80 I 2.8650 7.1510 123.9335 63.5636 37.8688 178.4140 81 K 3.7693 7.4300 119.1271 59.6198 32.5749 178.3996 82 N 4.0883 7.8446 117.7284 56.2001 38.7522 176.2598 83 L 2.7492 7.0288 121.2358 57.4723 41.4055 179.1269 84 I 3.3423 7.2266 119.8090 64.3982 36.8468 178.5976 85 S 4.9083 7.9401 115.1633 61.0088 62.7373 176.0902 86 A 4.1701 7.5118 122.5670 54.4027 18.5656 178.8520 87 F 4.4775 8.0677 114.9224 58.6728 39.0839 176.8130 88 Q 4.0220 7.6139 117.0295 55.9804 28.4414 175.2749 89 K 4.6029 7.6677 119.1710 53.8754 32.5931 174.2970 90 P 4.3396 0.0000 0.0000 64.1745 31.6590 175.8581 91 D 4.4325 8.7702 120.1071 55.2176 38.4486 174.6206 92 Q 4.4965 8.0104 113.8640 55.9938 31.0259 175.5033 93 G 3.6832 7.5169 105.1571 45.2436 0.0000 175.5962 94 I 4.2233 7.1386 115.1857 58.4416 41.0031 176.5041 95 V 3.4323 6.9925 119.2302 64.6990 31.0599 176.1885 96 I 3.7789 6.6355 115.9423 58.9638 41.1834 171.5606 97 P 4.8828 0.0000 0.0000 62.4754 31.1740 175.7548 98 L 3.8275 8.1336 122.3748 54.3924 42.1406 176.2136 99 Q 4.3600 8.9363 121.9776 57.3244 32.5072 174.1776 100 Y 4.6106 8.1859 123.3469 54.8687 40.6546 172.5593 101 P 4.1113 0.0000 0.0000 62.6161 32.3626 177.0924 102 V 4.3478 8.0780 124.7012 61.1550 30.2670 174.5447 103 E 4.3711 8.1868 121.7677 54.7121 31.3813 177.7938 104 K 4.2733 7.9921 122.5915 54.1368 30.1732 174.2103 105 K 4.4051 7.0923 125.8428 55.1778 40.3500 174.4739 106 S 4.8006 8.6767 115.5861 56.3463 65.9427 174.5411 107 S 4.3308 8.6073 117.2891 59.0065 62.6966 174.1603 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 1 M 8.30 4.29 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 D 7.88 3.89 0.00 2.88 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 3 A 7.82 4.30 1.22 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 0.00 0.00 4 V 7.87 4.08 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 0.92 0.00 0.00 0.67 0.00 0.00 5 A 8.17 4.32 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 6 V 7.70 3.79 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 0.59 0.00 0.00 0.96 0.00 0.00 7 Y 7.63 5.57 0.00 2.99 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 8 H 7.80 4.19 0.00 3.18 3.37 0.00 5.57 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 9 G 6.27 3.49 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 0.00 10 K 8.46 4.74 0.00 1.70 1.68 0.00 1.74 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.39 7.81 11 I 7.87 4.62 1.79 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 1.17 0.79 0.78 0.00 0.00 12 S 8.24 5.16 0.00 3.90 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 13 R 8.42 3.89 0.00 1.96 1.91 0.00 3.30 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 14 E 8.16 3.98 0.00 2.06 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 2.36 2.39 0.00 15 T 7.74 3.92 4.33 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 1.14 0.00 0.00 16 G 7.96 3.66 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 0.00 0.00 0.00 17 E 8.20 3.97 0.00 2.19 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 2.32 2.32 0.00 18 K 7.95 4.04 0.00 1.94 2.05 0.00 1.29 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.67 1.60 7.81 19 L 7.98 3.95 0.00 1.90 1.76 0.82 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.57 3.87 0.00 1.66 1.78 1.12 1.37 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 21 L 7.89 4.12 0.00 1.93 1.68 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.88 4.04 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 23 T 7.28 3.83 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 1.09 0.00 0.00 24 G 7.68 3.88 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 0.00 0.00 0.00 25 L 7.43 4.52 0.00 1.52 1.51 0.31 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.55 4.55 0.00 2.45 2.06 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 27 G 9.03 4.44 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 0.00 28 S 8.63 5.59 0.00 4.07 3.88 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 29 Y 8.97 6.19 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 30 L 8.47 4.64 0.00 1.73 1.82 1.07 0.31 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 31 L 8.62 5.03 0.00 1.82 2.03 0.98 0.99 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 32 R 8.67 5.16 0.00 1.94 2.22 0.00 2.84 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 33 D 8.69 4.94 0.00 2.96 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 34 S 8.86 4.21 0.00 4.08 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 35 E 8.89 4.49 0.00 2.06 1.89 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 2.36 2.30 0.00 36 S 7.88 4.33 0.00 3.85 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 37 V 7.79 4.26 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 0.94 0.00 0.00 0.96 0.00 0.00 38 P 0.00 4.21 0.00 2.21 2.04 0.00 3.88 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 1.99 1.97 0.00 39 G 8.82 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.22 4.40 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 1.11 0.00 0.00 0.96 0.00 0.00 41 Y 8.60 4.93 0.00 3.09 2.96 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 42 C 9.08 5.24 0.00 3.15 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 9.03 5.51 0.00 1.88 1.76 0.75 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 44 C 8.96 6.23 0.00 3.01 2.96 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 45 V 8.65 5.10 2.33 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 1.23 0.00 0.00 1.26 0.00 0.00 46 L 8.88 4.78 0.00 1.94 1.65 0.95 0.82 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 47 Y 8.93 5.37 0.00 3.34 3.09 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 0.00 0.00 0.00 0.00 48 H 9.66 4.05 0.00 3.66 3.65 0.00 5.78 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 49 G 8.45 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 0.00 0.00 0.00 50 Y 7.80 4.41 0.00 3.07 2.56 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 51 I 8.24 4.16 1.89 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 1.38 0.42 0.97 0.00 0.00 52 Y 8.96 4.11 0.00 3.15 2.59 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 53 T 8.20 4.72 4.19 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 1.26 0.00 0.00 54 Y 8.73 4.94 0.00 3.14 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.92 4.81 0.00 1.90 1.98 0.00 3.14 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.72 0.00 56 V 9.06 4.73 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 1.09 0.00 0.00 1.13 0.00 0.00 57 S 8.84 5.28 0.00 3.81 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 58 Q 8.30 3.89 0.00 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.80 0.00 0.00 0.00 0.00 0.00 1.69 1.16 0.00 59 T 8.25 4.19 4.16 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 1.33 0.00 0.00 60 E 8.40 4.01 0.00 2.04 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 0.00 2.20 2.22 0.00 61 T 7.30 3.94 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 62 G 7.93 3.85 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 0.00 0.00 0.00 63 S 7.47 4.70 0.00 4.12 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 64 W 8.84 5.04 0.00 3.55 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 65 S 8.75 5.16 0.00 3.77 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 66 A 8.51 4.99 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 67 E 8.74 4.24 0.00 2.13 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 2.41 0.00 68 T 8.29 4.65 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 1.22 0.00 0.00 69 A 8.36 4.18 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.78 0.00 2.20 2.14 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 71 G 8.04 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.61 4.34 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 0.77 0.00 0.00 0.95 0.00 0.00 73 H 8.56 4.76 0.00 3.08 3.15 0.00 5.90 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 74 K 8.25 4.42 0.00 1.54 1.34 0.00 1.77 0.00 0.00 1.59 0.00 0.00 3.14 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.24 1.43 7.81 75 R 8.06 3.97 0.00 1.77 1.78 0.00 3.40 0.00 0.00 3.44 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.17 0.00 76 Y 7.75 4.25 0.00 2.89 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 F 8.68 5.33 0.00 3.25 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.26 4.69 0.00 1.83 1.94 0.00 3.33 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 79 K 7.92 4.28 0.00 1.69 1.56 0.00 1.74 0.00 0.00 1.53 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.05 1.28 7.81 80 I 7.15 2.87 0.56 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.28 0.41 0.00 0.00 81 K 7.43 3.77 0.00 1.86 1.84 0.00 1.47 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.31 7.81 82 N 7.84 4.09 0.00 2.65 2.67 0.00 0.00 6.85 6.66 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 83 L 7.03 2.75 0.00 1.32 1.30 0.73 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.23 3.34 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.58 0.67 0.00 0.00 85 S 7.94 4.91 0.00 3.69 3.82 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 0.00 0.00 0.00 86 A 7.51 4.17 1.12 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 87 F 8.07 4.48 0.00 3.04 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 88 Q 7.61 4.02 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.75 0.00 0.00 0.00 0.00 0.00 2.61 2.45 0.00 89 K 7.67 4.60 0.00 1.75 1.71 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.66 7.81 90 P 0.00 4.34 0.00 2.01 1.97 0.00 3.80 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 91 D 8.77 4.43 0.00 2.75 2.67 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 92 Q 8.01 4.50 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 93 G 7.52 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 0.00 0.00 0.00 94 I 7.14 4.22 1.43 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.76 -0.00 0.00 0.00 95 V 6.99 3.43 1.66 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 0.48 0.00 0.00 0.41 0.00 0.00 96 I 6.64 3.78 0.96 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.43 0.55 0.00 0.00 97 P 0.00 4.88 0.00 2.23 1.93 0.00 3.39 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 98 L 8.13 3.83 0.00 1.35 0.94 0.26 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.94 4.36 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 100 Y 8.19 4.61 0.00 3.15 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.11 0.00 1.96 1.89 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 102 V 8.08 4.35 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.97 0.00 0.00 103 E 8.19 4.37 0.00 2.19 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 0.00 2.22 2.28 0.00 104 K 7.99 4.27 0.00 1.75 1.78 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.33 7.81 105 K 7.09 4.41 0.00 1.69 1.71 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.27 1.31 7.81 106 S 8.68 4.80 0.00 3.99 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 0.00 107 S 8.61 4.33 0.00 3.89 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