NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1724 8.1633 120.2489 54.9112 34.0870 173.6860 2 K 4.4984 7.8404 121.3091 53.8849 34.3445 174.0375 3 W 4.9688 9.9071 126.1507 54.8798 33.0408 174.1927 4 E 5.2967 8.7975 121.1920 54.9654 31.9651 175.2257 5 M 4.8302 8.5851 119.4555 53.9966 34.9773 174.5551 6 G 4.2510 8.7160 107.6318 46.4614 0.0000 172.8479 7 L 4.5241 8.8577 121.3501 53.4820 45.7044 175.3741 8 Q 4.1553 8.7055 124.9831 55.6700 29.7776 176.6324 9 E 3.8802 9.0279 122.4302 59.7266 29.0017 179.1573 10 E 3.8312 7.9921 116.7334 59.7458 29.3066 178.4601 11 Y 4.0409 7.5537 116.8868 60.0742 37.9786 177.9189 12 I 3.6716 7.5406 121.5480 64.3416 37.1865 178.1488 13 E 4.0109 8.0901 117.9324 59.5023 29.5102 178.9684 14 L 4.0049 7.5676 119.6002 57.3898 41.6228 179.6301 15 I 4.0936 7.7381 121.3067 63.7368 36.9330 178.5209 16 K 4.0152 7.9892 117.9536 59.3787 31.9258 178.9383 17 A 4.2034 8.1278 120.2379 53.2609 18.4032 178.4904 18 G 3.9649 7.8793 104.9081 45.3989 0.0000 174.7830 19 K 3.9731 7.8953 119.0570 58.7065 32.3407 177.3707 20 K 4.4069 8.0643 124.2539 55.7664 31.4300 176.3855 21 K 4.6784 8.7056 125.4747 56.1435 33.7775 176.0324 22 I 5.0727 7.6518 120.6513 59.3105 40.6751 174.2074 23 E 4.5396 9.4370 128.1888 54.4134 31.6242 174.7495 24 G 4.4410 8.8346 114.5406 45.5866 0.0000 172.4760 25 R 4.8537 8.5912 121.3897 54.4861 35.5629 174.2213 26 L 4.0718 7.7170 120.0413 54.3243 42.2043 177.6756 27 Y 4.5842 8.0362 126.0959 56.7293 36.5472 173.6557 28 D 3.7110 7.0826 122.0683 51.7599 42.3629 177.2395 29 E 3.7477 8.1923 117.6383 59.7879 28.9842 179.3718 30 K 3.9046 7.6811 117.6919 59.5285 32.1723 179.5281 31 R 3.8052 8.0829 117.6978 58.3823 29.7109 178.3306 32 R 4.1231 7.3023 115.7653 56.6661 30.0236 176.7413 33 Q 4.3884 6.9971 116.1935 55.5022 29.8204 175.6431 34 I 4.4624 6.8946 119.7934 60.0559 38.3838 175.2812 35 K 4.7355 9.2022 122.4840 54.1167 35.7356 174.0246 36 P 4.6107 0.0000 0.0000 64.4659 31.6896 176.2385 37 G 4.1030 8.9352 110.6974 45.7681 0.0000 173.8755 38 D 4.8275 8.1493 119.3709 54.1885 42.7024 175.3579 39 I 5.0248 8.6491 120.1694 59.6744 40.8717 174.9281 40 I 4.8243 8.6539 126.2071 59.5528 40.3346 174.5408 41 I 4.5527 8.8929 128.4147 59.8280 38.6942 174.7800 42 F 5.0599 9.5557 127.3150 56.8867 40.3966 175.7984 43 E 3.9067 9.7820 122.3070 57.6698 28.0519 175.0737 44 G 3.7201 8.9366 100.7537 46.7970 0.0000 173.2285 45 G 4.0374 8.0636 106.8484 44.7583 0.0000 176.4407 46 K 4.1515 7.5703 117.9133 58.6009 32.4890 176.9922 47 L 4.5641 7.4360 119.2929 53.8144 46.1332 173.4965 48 K 5.1157 8.7829 126.6186 54.8325 35.3069 174.9317 49 V 5.0590 8.8018 118.9806 59.7326 36.7155 174.2632 50 K 4.7513 9.0737 122.2291 54.9889 34.3739 176.0418 51 V 4.3064 8.8091 125.4504 62.7826 31.8655 176.3723 52 K 4.3272 9.2334 127.8776 57.5868 33.6572 176.6579 53 G 4.2294 7.6498 104.6662 45.5039 0.0000 172.4915 54 I 5.1263 8.1566 120.5387 59.5959 40.9926 175.1543 55 R 4.3643 8.7869 125.6201 54.3090 33.9460 174.3087 56 V 4.2892 7.8245 123.4872 61.3020 33.5364 173.9846 57 Y 4.8823 8.8584 124.1113 56.2301 42.0099 176.1930 58 S 4.5286 9.3225 114.2386 59.6951 64.0231 174.6668 59 S 4.5354 7.3668 114.9742 56.1090 66.7365 174.8871 60 F 4.0610 9.2340 122.0491 60.2608 38.5703 178.0416 61 K 3.9557 8.1253 118.9849 59.5547 31.9969 178.2940 62 E 3.8230 8.1716 119.4796 59.3652 29.5683 178.2904 63 M 2.8167 7.8858 118.1862 58.3390 32.1640 178.2236 64 L 4.0147 8.1446 119.2969 57.9398 41.6030 179.4175 65 E 3.9342 7.9831 117.3585 59.1504 29.4071 179.1832 66 K 4.0903 7.8782 117.9972 58.9914 32.3759 178.7039 67 E 4.3008 8.3639 117.8442 55.6506 30.0747 176.6669 68 G 3.9038 8.2425 109.4460 45.8219 0.0000 174.0152 69 I 3.7272 8.6560 125.4118 64.7307 37.2466 178.1990 70 E 4.0533 8.1749 117.2744 58.5735 29.6483 177.3764 71 N 4.8510 8.2197 115.5863 53.6932 39.6285 176.4838 72 V 4.1869 7.8384 115.5956 63.9842 33.4669 175.9950 73 L 4.8023 7.9512 120.2088 51.1318 41.6452 173.2322 74 P 4.5423 0.0000 0.0000 64.4444 32.0750 176.8511 75 G 4.0016 9.2361 111.7402 45.2693 0.0000 174.1186 76 V 3.8556 7.3903 119.7817 62.9309 31.8177 175.9824 77 K 4.3551 8.8534 125.9467 57.3090 32.8119 177.1785 78 S 4.6783 7.4549 113.0372 55.9491 66.9043 174.9748 79 I 3.7525 8.3265 123.8726 64.6362 36.8858 178.5106 80 E 3.9785 8.1557 118.9543 59.4546 29.4695 178.8499 81 E 4.0311 8.3810 119.4404 59.1469 29.6347 179.1205 82 G 3.6021 8.1245 105.8340 47.8450 0.0000 175.8738 83 V 3.8489 8.1008 120.9332 65.6340 31.2927 178.1796 84 K 3.8840 7.8478 117.5587 59.3512 32.0300 178.9785 85 V 3.6269 7.4468 118.1126 66.3802 31.3530 177.8235 86 Y 4.0577 7.4797 115.8507 60.7579 37.3618 178.0908 87 R 4.3204 7.8632 120.1725 58.3834 30.1574 178.1845 88 Q 3.8546 7.2670 117.4859 58.2849 28.5811 176.9124 89 F 4.5749 7.1712 116.4803 57.8566 40.2269 175.6040 90 Y 5.0381 8.1091 118.8096 55.5337 40.8205 175.1233 91 D 4.6870 8.7684 124.5129 52.9393 42.0109 177.2384 92 E 4.1162 8.7521 119.7449 59.5983 29.4453 179.5254 93 E 3.9823 8.2718 118.2484 59.5151 29.5735 179.4541 94 R 4.0074 8.6728 118.3021 59.1278 30.1724 178.6014 95 E 3.9004 8.3219 119.1719 59.4390 29.4173 179.1817 96 K 3.9997 8.0469 117.3235 59.1248 32.1494 179.0714 97 K 3.9052 7.9169 119.3421 59.1028 32.1606 177.7057 98 Y 4.5751 8.2417 115.6378 57.3581 39.1773 176.3841 99 G 3.8967 8.7293 105.8345 44.3703 0.0000 171.5375 100 V 4.6591 8.4968 117.6486 60.7359 34.8531 174.7368 101 V 4.6988 8.7561 126.6004 59.7827 34.4617 174.2915 102 A 4.8062 9.0815 125.9291 50.5997 21.0418 175.7966 103 I 4.4673 8.6469 125.0254 60.0083 38.9372 175.1005 104 E 4.7494 9.0732 130.3794 55.9515 30.4617 175.6509 105 I 5.2797 8.9187 120.2045 59.1752 41.4567 174.3477 106 E 4.7966 8.9133 123.6431 53.6018 32.6106 173.0566 107 P 4.8704 0.0000 0.0000 63.1910 32.3154 175.4529 108 I 4.4641 8.4465 123.5583 59.4985 38.9264 175.7937 109 E 4.1471 8.7566 125.2048 56.7231 29.3951 176.6751 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 8.16 4.17 0.00 0.87 2.02 0.00 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.45 0.00 2 K 7.84 4.50 0.00 1.43 1.52 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.19 1.34 7.81 3 W 9.91 4.97 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 4 E 8.80 5.30 0.00 1.85 1.85 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 2.18 2.26 0.00 5 M 8.59 4.83 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.39 0.00 6 G 8.72 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 0.00 0.00 0.00 0.00 7 L 8.86 4.52 0.00 1.41 1.44 0.55 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.71 4.16 0.00 2.18 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.60 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 9 E 9.03 3.88 0.00 2.04 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 2.42 0.00 10 E 7.99 3.83 0.00 1.92 1.97 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 1.75 1.47 0.00 11 Y 7.55 4.04 0.00 3.07 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 12 I 7.54 3.67 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.04 0.93 0.00 0.00 13 E 8.09 4.01 0.00 2.19 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 0.00 2.47 2.39 0.00 14 L 7.57 4.00 0.00 1.80 1.82 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.74 4.09 2.02 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.98 0.00 0.00 16 K 7.99 4.02 0.00 1.90 1.90 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.67 7.81 17 A 8.13 4.20 1.38 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 0.00 0.00 18 G 7.88 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 19 K 7.90 3.97 0.00 1.91 1.90 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.44 7.81 20 K 8.06 4.41 0.00 1.85 1.75 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.21 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.57 7.81 21 K 8.71 4.68 0.00 1.78 1.82 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.58 7.81 22 I 7.65 5.07 2.01 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 1.27 0.92 0.97 0.00 0.00 23 E 9.44 4.54 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 2.46 2.39 0.00 24 G 8.83 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 25 R 8.59 4.85 0.00 1.70 1.73 0.00 3.38 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 26 L 7.72 4.07 0.00 1.36 1.39 1.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.04 4.58 0.00 2.72 3.14 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 28 D 7.08 3.71 0.00 2.15 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 0.00 0.00 0.00 0.00 29 E 8.19 3.75 0.00 1.79 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 2.30 2.44 0.00 30 K 7.68 3.90 0.00 1.77 1.67 0.00 1.61 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.43 7.81 31 R 8.08 3.81 0.00 1.97 1.93 0.00 3.10 0.00 0.00 2.99 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 32 R 7.30 4.12 0.00 1.61 1.64 0.00 2.83 0.00 0.00 2.85 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.84 0.00 33 Q 7.00 4.39 0.00 1.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.75 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 34 I 6.89 4.46 1.71 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 0.03 -0.19 0.93 0.00 0.00 35 K 9.20 4.74 0.00 1.90 1.89 0.00 1.37 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.46 7.81 36 P 0.00 4.61 0.00 2.08 2.22 0.00 3.66 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 2.04 2.11 0.00 37 G 8.94 4.10 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 0.00 38 D 8.15 4.83 0.00 2.93 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 39 I 8.65 5.02 1.79 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 1.21 0.68 0.88 0.00 0.00 40 I 8.65 4.82 1.50 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 1.27 0.82 -0.11 0.00 0.00 41 I 8.89 4.55 1.83 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 1.15 1.36 0.91 0.00 0.00 42 F 9.56 5.06 0.00 3.14 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 43 E 9.78 3.91 0.00 2.22 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 2.27 2.32 0.00 44 G 8.94 3.72 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 0.00 0.00 0.00 45 G 8.06 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 K 7.57 4.15 0.00 1.87 1.93 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.55 7.81 47 L 7.44 4.56 0.00 1.93 1.65 1.01 0.46 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 48 K 8.78 5.12 0.00 1.85 1.62 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.40 7.81 49 V 8.80 5.06 2.28 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 0.96 0.00 0.00 1.03 0.00 0.00 50 K 9.07 4.75 0.00 1.68 1.73 0.00 1.83 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.39 7.81 51 V 8.81 4.31 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 1.07 0.00 0.00 1.04 0.00 0.00 52 K 9.23 4.33 0.00 1.65 1.86 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.59 1.55 7.81 53 G 7.65 4.23 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 0.00 54 I 8.16 5.13 1.84 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 1.35 0.98 0.83 0.00 0.00 55 R 8.79 4.36 0.00 1.70 1.48 0.00 3.14 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 56 V 7.82 4.29 1.55 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 0.22 0.00 0.00 -0.19 0.00 0.00 57 Y 8.86 4.88 0.00 2.76 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 58 S 9.32 4.53 0.00 3.95 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 59 S 7.37 4.54 0.00 4.14 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 60 F 9.23 4.06 0.00 3.12 3.08 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 61 K 8.13 3.96 0.00 1.88 1.84 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.53 7.81 62 E 8.17 3.82 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 2.09 2.24 0.00 63 M 7.89 2.82 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.67 0.00 64 L 8.14 4.01 0.00 1.95 1.74 1.14 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 65 E 7.98 3.93 0.00 1.99 1.97 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 2.33 2.56 0.00 66 K 7.88 4.09 0.00 1.11 1.76 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.40 7.81 67 E 8.36 4.30 0.00 1.94 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 2.30 2.51 0.00 68 G 8.24 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 0.00 0.00 0.00 69 I 8.66 3.73 1.89 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 1.44 0.70 1.03 0.00 0.00 70 E 8.17 4.05 0.00 1.97 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 2.33 2.29 0.00 71 N 8.22 4.85 0.00 3.03 2.87 0.00 0.00 6.30 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 72 V 7.84 4.19 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 0.98 0.00 0.00 1.01 0.00 0.00 73 L 7.95 4.80 0.00 1.69 1.57 0.74 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.54 0.00 2.08 2.05 0.00 3.78 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 2.09 2.35 0.00 75 G 9.24 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 76 V 7.39 3.86 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 0.91 0.00 0.00 0.97 0.00 0.00 77 K 8.85 4.36 0.00 1.90 1.83 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.21 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.51 7.81 78 S 7.45 4.68 0.00 4.14 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 79 I 8.33 3.75 1.89 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 1.65 0.83 0.94 0.00 0.00 80 E 8.16 3.98 0.00 2.06 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 2.41 2.45 0.00 81 E 8.38 4.03 0.00 2.04 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 0.00 2.28 2.31 0.00 82 G 8.12 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 83 V 8.10 3.85 2.28 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 1.24 0.00 0.00 1.12 0.00 0.00 84 K 7.85 3.88 0.00 1.97 1.80 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.63 7.81 85 V 7.45 3.63 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 0.82 0.00 0.00 0.89 0.00 0.00 86 Y 7.48 4.06 0.00 2.74 1.75 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 87 R 7.86 4.32 0.00 1.92 2.03 0.00 3.23 0.00 0.00 3.41 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 88 Q 7.27 3.85 0.00 0.93 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.56 0.00 0.00 0.00 0.00 0.00 2.10 2.35 0.00 89 F 7.17 4.57 0.00 1.60 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 0.00 0.00 0.00 0.00 90 Y 8.11 5.04 0.00 3.26 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 91 D 8.77 4.69 0.00 2.96 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 92 E 8.75 4.12 0.00 2.09 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 2.49 2.49 0.00 93 E 8.27 3.98 0.00 2.23 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 2.43 2.37 0.00 94 R 8.67 4.01 0.00 2.21 2.27 0.00 3.28 0.00 0.00 3.54 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 95 E 8.32 3.90 0.00 2.24 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 0.00 2.22 1.97 0.00 96 K 8.05 4.00 0.00 1.88 1.83 0.00 1.76 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.64 7.81 97 K 7.92 3.91 0.00 1.56 1.62 0.00 1.48 0.00 0.00 0.97 0.00 0.00 2.36 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.41 1.08 7.81 98 Y 8.24 4.58 0.00 3.04 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 99 G 8.73 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 0.00 0.00 0.00 100 V 8.50 4.66 1.76 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 0.72 0.00 0.00 -0.43 0.00 0.00 101 V 8.76 4.70 1.97 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 0.74 0.00 0.00 0.87 0.00 0.00 102 A 9.08 4.81 1.40 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 0.00 103 I 8.65 4.47 2.02 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 1.12 0.88 0.96 0.00 0.00 104 E 9.07 4.75 0.00 2.09 1.95 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 2.34 2.44 0.00 105 I 8.92 5.28 2.01 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.93 1.12 0.00 0.00 106 E 8.91 4.80 0.00 2.06 1.81 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 2.22 2.26 0.00 107 P 0.00 4.87 0.00 2.16 2.10 0.00 3.83 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 2.02 2.19 0.00 108 I 8.45 4.46 1.99 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 0.66 0.92 0.00 0.00 109 E 8.76 4.15 0.00 1.97 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 2.33 2.32 0.00