NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4133 8.2893 120.3486 55.3397 33.0506 174.7872 2 N 4.6266 8.5832 124.1049 51.5990 38.8264 173.0049 3 I 4.6027 8.7967 121.0804 59.5814 41.9237 176.3077 4 I 4.3818 8.3225 123.7316 59.6210 38.5841 175.1467 5 K 4.4567 8.6118 124.7884 54.3893 34.1115 176.2041 6 A 4.5704 8.3865 126.3220 50.7928 20.9089 175.0577 7 N 5.0481 8.2407 117.0578 51.9899 41.5819 174.9087 8 V 3.8989 8.0948 113.8503 62.3141 32.3947 176.2164 9 A 4.2848 8.1496 123.7669 52.0127 18.7408 178.0120 10 A 4.6226 8.2769 122.5473 51.2567 21.4176 174.0525 11 P 4.7605 0.0000 0.0000 64.8340 32.1835 178.7999 12 D 4.7531 8.0605 115.7656 54.2537 40.5811 175.8229 13 A 4.5855 7.5907 125.0520 51.9619 20.0292 178.3087 14 R 4.8422 9.4597 120.9758 55.1251 32.5395 175.8047 15 V 4.9473 8.9139 124.4009 59.9975 34.8865 173.9614 16 A 4.8522 8.4905 128.2711 50.0594 21.6178 175.1573 17 I 4.7910 8.8424 123.6661 59.5989 39.3897 174.6927 18 T 4.7657 8.6363 118.0050 60.0154 70.7566 173.4704 19 I 5.2275 8.3611 126.6183 58.1770 40.6017 174.5411 20 A 5.0063 8.4438 128.0080 51.3787 19.0143 177.9860 21 R 4.4466 9.3395 119.7892 58.5118 30.2319 176.9840 22 F 4.6672 8.2469 121.5079 59.8295 39.7599 174.3231 23 N 4.6609 9.8633 123.9657 54.5279 35.6275 176.1342 24 Q 4.2052 8.3985 120.3740 59.3735 28.0673 177.8878 25 F 3.9541 8.4929 121.5948 61.2505 39.4209 176.5440 26 I 4.1692 8.1840 118.5297 63.9527 37.5614 177.7515 27 N 4.3395 8.3373 116.6514 56.4410 38.2531 176.9662 28 D 4.5568 8.6810 120.6147 57.5917 40.9902 178.7577 29 S 4.0673 7.9628 113.0294 61.0963 62.3932 175.4352 30 L 4.0614 7.8047 123.2038 58.7114 41.6415 178.2991 31 L 3.8823 8.3699 120.5207 57.5420 41.9607 178.6770 32 D 4.5012 8.5250 118.5297 57.2983 40.9260 179.8498 33 G 3.5673 8.1369 105.8493 47.7386 0.0000 175.3798 34 A 4.0141 7.8024 123.3365 54.8186 18.5054 179.2625 35 V 3.4381 7.9772 116.7428 66.3003 31.5613 177.2500 36 D 4.3327 8.2139 117.1462 57.8143 40.9761 178.0488 37 A 3.9266 8.2847 120.8739 55.7695 18.4037 179.0356 38 L 3.8627 8.4874 116.5688 59.3086 41.8355 179.8089 39 T 4.1996 8.2369 110.9628 63.9393 68.5729 176.2143 40 R 3.8542 8.1923 123.8985 58.3450 30.6701 178.0683 41 I 4.0681 7.9619 117.0126 63.5630 37.7789 177.1758 42 G 3.7497 7.9407 106.5369 45.0988 0.0000 173.9836 43 Q 3.6607 8.2950 119.9985 56.5045 27.9536 172.8018 44 V 3.9161 7.4972 116.7075 61.9671 32.1606 175.2418 45 K 4.2852 8.5675 128.8731 56.3220 32.6026 176.5431 46 D 4.6838 8.7893 124.4728 53.9583 39.2044 176.1973 47 D 4.7942 7.9776 117.2478 53.7469 40.1711 176.3264 48 N 4.7151 8.4577 117.8070 53.6739 39.3664 174.1098 49 I 4.8938 7.5914 120.2228 60.2775 38.3627 175.1971 50 T 4.7219 8.8795 117.3617 59.7072 71.9411 173.0264 51 V 4.5434 8.3926 123.4207 61.0823 34.1246 174.5516 52 V 4.3036 8.9602 128.8181 60.7688 33.6912 174.5557 53 W 4.8753 8.9828 129.1261 56.6438 29.5188 176.4272 54 V 4.3646 8.6574 119.1460 58.9924 33.6643 174.6408 55 P 4.3078 0.0000 0.0000 65.1866 31.0829 176.9568 56 G 4.4898 7.9715 108.2831 42.8894 0.0000 174.1033 57 A 4.0602 8.4824 120.6355 54.7880 18.1011 179.2918 58 Y 4.2125 8.1497 117.0884 60.6278 39.1915 177.3564 59 E 4.1130 8.1858 118.9587 58.0467 29.6088 178.5815 60 L 3.8680 7.6207 119.4121 57.8584 41.5967 177.3225 61 P 4.1726 0.0000 0.0000 65.1711 31.2736 177.9022 62 L 3.9220 7.8229 118.0013 58.4448 42.0475 179.0373 63 A 3.9855 7.8394 120.2721 55.6252 18.3206 179.8415 64 T 3.8360 8.1372 108.3168 64.4901 68.7093 176.2071 65 E 3.8411 9.0375 123.0810 59.1899 29.6768 178.2862 66 A 4.0087 7.9964 120.5961 55.6080 18.1822 179.6096 67 L 4.1047 7.5748 114.8348 57.9071 41.9574 179.4753 68 A 4.2232 8.3003 120.8347 55.1724 18.2101 179.8856 69 K 3.9596 8.1737 116.1143 59.5331 32.1286 179.0277 70 S 4.1986 8.0650 112.9927 59.4668 62.2164 175.9575 71 G 4.0209 8.4028 108.1494 45.7849 0.0000 175.5094 72 K 3.6936 7.6532 118.0520 58.2571 32.1634 176.6263 73 Y 5.0316 6.9856 115.3188 56.2074 40.6875 175.3554 74 D 4.7369 9.2560 121.9614 55.9125 41.8625 176.4107 75 A 4.5455 7.3679 117.4624 51.2206 22.5353 175.0829 76 V 4.7425 8.3544 120.0264 61.0314 34.6230 174.5166 77 V 4.3304 8.7904 128.3927 61.6082 33.2191 174.2246 78 A 4.9081 8.5892 130.3717 49.7856 20.7052 175.2750 79 L 5.3106 7.9437 123.1961 52.7733 44.3213 176.3900 80 G 4.2060 7.7659 108.4096 45.8930 0.0000 171.8761 81 T 5.0922 8.5282 116.1097 61.5023 72.0809 174.3352 82 V 4.2254 9.1153 125.0532 61.3635 34.1157 173.9066 83 I 4.8021 8.1935 128.6761 59.5958 38.7069 175.9802 84 R 3.6503 8.5372 127.7707 56.5281 30.3418 176.3466 85 G 4.4280 8.3214 115.8482 44.2248 0.0000 172.8803 86 G 3.6461 8.7708 107.5639 47.4329 0.0000 173.3667 87 T 4.5335 7.5995 108.3248 59.7094 71.5637 173.4281 88 A 4.4840 8.3620 121.3229 52.7630 18.8891 178.7166 89 H 4.2577 8.4053 120.3726 60.4551 29.7781 176.9022 90 F 4.0303 8.4857 121.9675 61.5754 39.0147 176.6804 91 E 3.5788 7.9421 118.2983 59.5459 29.3600 178.3913 92 Y 4.3292 7.3845 115.8511 60.7117 38.2340 177.5626 93 V 3.6813 7.6425 119.1649 65.7883 31.6087 177.7401 94 A 4.0755 7.8093 120.0950 55.2945 18.1054 179.6467 95 G 3.6186 8.1663 104.4900 47.8073 0.0000 176.0297 96 G 3.8724 8.6989 108.3063 45.8094 0.0000 174.7788 97 A 4.2766 7.7464 122.6328 54.2962 19.7438 179.0824 98 S 4.1876 8.3683 112.0066 61.8829 62.3593 176.2868 99 N 4.4320 8.4703 119.3012 56.0598 38.2983 177.2978 100 G 3.7671 7.7170 106.3588 48.1380 0.0000 175.4080 101 L 3.9877 8.0751 121.4912 57.2490 41.8996 179.5784 102 A 3.9981 8.0798 120.5110 55.1371 18.2263 179.6334 103 S 3.9604 8.3435 111.7479 61.5113 62.4721 176.1384 104 V 3.5478 7.8234 120.7916 66.2621 31.1547 177.6759 105 A 4.4193 7.8023 121.0935 54.8258 18.0037 179.4313 106 Q 3.9200 7.6657 116.2189 59.1701 29.1376 177.8488 107 D 4.5243 8.0666 119.4617 57.0376 41.2711 178.4510 108 S 4.3642 8.3718 112.6566 58.5537 63.4975 175.5089 109 G 3.8883 8.0522 109.5095 45.8393 0.0000 173.8147 110 V 3.9524 7.5242 121.0702 61.6728 32.9410 173.5961 111 P 4.6168 0.0000 0.0000 62.6305 32.5013 175.1565 112 V 4.8188 8.4019 123.5912 61.0206 34.0355 174.2381 113 A 4.4471 8.8867 130.4214 50.9207 20.3859 176.3022 114 F 4.7598 9.0229 126.7441 56.3484 38.3488 175.8405 115 G 3.9563 8.1452 118.2804 44.9528 0.0000 171.0707 116 V 4.5283 6.1627 117.5554 60.5679 33.9115 176.0567 117 L 4.2631 8.7798 129.5747 55.1196 42.7617 176.7036 118 T 5.5191 8.7198 112.5508 58.7491 68.6701 172.5482 119 T 4.6132 8.1486 120.6244 60.9518 72.1317 175.2017 120 E 4.0195 9.7417 120.8877 57.4825 30.4202 177.3791 121 S 4.7071 7.5888 111.9356 55.5892 67.6280 174.8103 122 I 3.6935 8.2297 123.2327 64.2760 36.7907 177.9625 123 E 3.9157 8.2531 119.8499 59.7687 29.1082 178.9851 124 Q 4.1508 7.8251 115.9093 58.8157 29.1738 178.2198 125 A 4.1681 7.8234 121.4783 55.4640 18.3104 179.7469 126 I 3.7600 7.8849 118.1264 64.6478 37.1134 178.5605 127 E 4.5321 8.0302 120.3539 58.1873 29.2793 178.4668 128 R 4.5114 7.8979 115.5267 55.7594 30.4755 176.7921 129 A 4.8251 7.2328 121.9629 52.6354 19.5313 177.1018 130 G 4.4601 8.1422 107.8283 48.1221 0.0000 175.3223 131 T 4.5964 7.5131 115.3526 60.0235 68.8925 175.7622 132 K 3.7908 9.1967 117.1328 59.3566 31.7780 177.8913 133 A 4.5714 7.8069 119.2219 52.0578 19.9839 178.9927 134 G 3.7343 8.2076 110.2653 47.3924 0.0000 173.9732 135 N 5.2526 8.2560 118.2320 50.9668 41.0497 175.5954 136 K 4.0145 8.9486 129.0670 59.0795 32.0441 179.1064 137 G 4.0925 8.2289 107.5963 47.3920 0.0000 175.6009 138 A 4.0359 7.8726 123.3372 54.2881 18.4408 179.2441 139 E 3.8472 8.4990 118.0374 59.3192 29.7561 178.8829 140 A 4.0276 8.5609 122.2807 54.4107 18.4430 179.2563 141 A 3.9172 8.1568 119.4863 55.4217 18.3690 179.8979 142 L 3.9346 8.0436 117.5291 58.2324 41.4110 179.9795 143 T 3.8479 8.1485 109.2901 64.4196 68.4955 176.2869 144 A 3.9921 8.0082 124.0008 55.1012 18.3821 179.0771 145 L 3.8839 7.8958 117.0751 58.2472 41.8065 179.2858 146 E 4.0887 8.4793 118.9801 59.9299 29.4127 179.0121 147 M 4.0382 7.9243 117.8412 58.3904 31.9553 178.3645 148 I 3.6871 7.7741 119.9694 64.9032 37.3231 178.1247 149 N 4.3155 7.9745 116.4887 56.1820 38.1504 177.5257 150 V 3.5860 7.9534 119.0519 66.4083 31.8648 177.7008 151 L 4.0564 8.4930 119.0045 57.5147 41.2777 179.3832 152 K 4.1292 8.2884 119.7908 59.4699 32.3146 177.1189 153 A 4.4870 7.9899 120.0572 51.7276 19.3671 177.2513 154 I 3.9238 8.1322 121.1746 63.1354 37.6798 174.0737 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 8.29 4.41 0.00 1.99 2.06 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 2.54 0.00 2 N 8.58 4.63 0.00 2.95 2.79 0.00 0.00 6.06 6.93 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 3 I 8.80 4.60 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 1.41 0.67 0.91 0.00 0.00 4 I 8.32 4.38 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 1.41 0.61 0.91 0.00 0.00 5 K 8.61 4.46 0.00 1.71 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.39 4.57 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 7 N 8.24 5.05 0.00 2.66 2.68 0.00 0.00 6.98 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 8 V 8.09 3.90 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 0.86 0.00 0.00 0.93 0.00 0.00 9 A 8.15 4.28 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 10 A 8.28 4.62 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 11 P 0.00 4.76 0.00 2.23 2.38 0.00 3.86 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 2.07 1.94 0.00 12 D 8.06 4.75 0.00 2.69 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 13 A 7.59 4.59 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 14 R 9.46 4.84 0.00 1.42 1.79 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.91 4.95 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 0.97 0.00 0.00 0.95 0.00 0.00 16 A 8.49 4.85 0.25 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 17 I 8.84 4.79 1.68 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 1.17 0.86 0.74 0.00 0.00 18 T 8.64 4.77 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 19 I 8.36 5.23 0.77 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.15 0.42 0.00 0.00 20 A 8.44 5.01 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 21 R 9.34 4.45 0.00 2.10 2.54 0.00 2.87 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 22 F 8.25 4.67 0.00 3.16 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 23 N 9.86 4.66 0.00 2.97 2.99 0.00 0.00 6.88 7.86 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 24 Q 8.40 4.21 0.00 2.53 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.49 3.95 0.00 3.14 3.21 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 26 I 8.18 4.17 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.79 0.95 0.00 0.00 27 N 8.34 4.34 0.00 2.87 2.92 0.00 0.00 7.07 8.08 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 28 D 8.68 4.56 0.00 2.65 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 29 S 7.96 4.07 0.00 3.82 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 30 L 7.80 4.06 0.00 1.93 1.63 0.95 0.55 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 31 L 8.37 3.88 0.00 1.79 1.77 0.77 1.31 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 32 D 8.52 4.50 0.00 2.87 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 33 G 8.14 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.80 4.01 1.39 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 0.00 0.00 35 V 7.98 3.44 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 0.97 0.00 0.00 0.93 0.00 0.00 36 D 8.21 4.33 0.00 2.84 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 37 A 8.28 3.93 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 38 L 8.49 3.86 0.00 1.84 1.73 0.89 0.61 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 39 T 8.24 4.20 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 40 R 8.19 3.85 0.00 1.81 2.25 0.00 3.24 0.00 0.00 3.58 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 41 I 7.96 4.07 2.09 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 1.23 0.96 0.91 0.00 0.00 42 G 7.94 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 43 Q 8.30 3.66 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 44 V 7.50 3.92 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 0.88 0.00 0.00 1.02 0.00 0.00 45 K 8.57 4.29 0.00 1.80 1.67 0.00 1.92 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.79 4.68 0.00 2.83 2.75 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 47 D 7.98 4.79 0.00 2.78 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 48 N 8.46 4.72 0.00 2.89 2.99 0.00 0.00 6.92 6.96 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 49 I 7.59 4.89 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 1.40 0.52 0.89 0.00 0.00 50 T 8.88 4.72 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 1.52 0.00 0.00 51 V 8.39 4.54 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 0.49 0.00 0.00 0.83 0.00 0.00 52 V 8.96 4.30 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 0.93 0.00 0.00 0.85 0.00 0.00 53 W 8.98 4.88 0.00 3.22 3.21 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 54 V 8.66 4.36 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 0.81 0.00 0.00 0.96 0.00 0.00 55 P 0.00 4.31 0.00 2.19 2.30 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 56 G 7.97 4.49 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 57 A 8.48 4.06 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 58 Y 8.15 4.21 0.00 2.92 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 59 E 8.19 4.11 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.58 0.00 60 L 7.62 3.87 0.00 1.73 1.70 0.85 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.17 0.00 2.03 1.89 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 2.07 2.09 0.00 62 L 7.82 3.92 0.00 1.63 1.66 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.84 3.99 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 64 T 8.14 3.84 4.18 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 1.19 0.00 0.00 65 E 9.04 3.84 0.00 2.03 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 0.00 2.31 2.33 0.00 66 A 8.00 4.01 1.39 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 0.00 0.00 67 L 7.57 4.10 0.00 1.75 1.65 0.61 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.30 4.22 1.39 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 0.00 0.00 69 K 8.17 3.96 0.00 1.74 1.90 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.60 7.81 70 S 8.06 4.20 0.00 3.93 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 0.00 71 G 8.40 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 0.00 0.00 0.00 72 K 7.65 3.69 0.00 1.06 1.11 0.00 1.56 0.00 0.00 1.51 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.25 7.81 73 Y 6.99 5.03 0.00 2.84 2.92 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 74 D 9.26 4.74 0.00 2.55 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 75 A 7.37 4.55 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 8.35 4.74 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 0.94 0.00 0.00 0.86 0.00 0.00 77 V 8.79 4.33 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 0.89 0.00 0.00 0.88 0.00 0.00 78 A 8.59 4.91 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 79 L 7.94 5.31 0.00 1.38 1.40 0.86 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.77 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 0.00 0.00 0.00 0.00 81 T 8.53 5.09 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 1.19 0.00 0.00 82 V 9.12 4.23 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 0.90 0.00 0.00 0.88 0.00 0.00 83 I 8.19 4.80 1.85 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 1.24 0.69 0.83 0.00 0.00 84 R 8.54 3.65 0.00 0.67 1.37 0.00 3.06 0.00 0.00 2.98 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.17 0.00 85 G 8.32 4.43 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 0.00 0.00 0.00 86 G 8.77 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 87 T 7.60 4.53 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 1.24 0.00 0.00 88 A 8.36 4.48 1.30 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 0.00 0.00 89 H 8.41 4.26 0.00 3.31 3.41 0.00 5.63 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 90 F 8.49 4.03 0.00 3.10 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 91 E 7.94 3.58 0.00 1.95 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 2.00 2.17 0.00 92 Y 7.38 4.33 0.00 2.98 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 93 V 7.64 3.68 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 1.06 0.00 0.00 0.75 0.00 0.00 94 A 7.81 4.08 0.94 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 95 G 8.17 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 0.00 0.00 0.00 96 G 8.70 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 A 7.75 4.28 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.37 4.19 0.00 3.71 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 99 N 8.47 4.43 0.00 2.80 2.83 0.00 0.00 6.95 7.62 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 0.00 100 G 7.72 3.77 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 0.00 0.00 0.00 101 L 8.08 3.99 0.00 2.05 1.82 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.08 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 0.00 103 S 8.34 3.96 0.00 3.97 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 0.00 104 V 7.82 3.55 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 1.04 0.00 0.00 0.91 0.00 0.00 105 A 7.80 4.42 1.39 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 0.00 0.00 106 Q 7.67 3.92 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.07 4.52 0.00 2.69 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 0.00 108 S 8.37 4.36 0.00 4.02 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 0.00 109 G 8.05 3.89 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 0.00 0.00 0.00 110 V 7.52 3.95 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 0.96 0.00 0.00 1.01 0.00 0.00 111 P 0.00 4.62 0.00 2.12 1.96 0.00 3.78 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 112 V 8.40 4.82 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 0.81 0.00 0.00 0.96 0.00 0.00 113 A 8.89 4.45 1.27 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 0.00 0.00 0.00 114 F 9.02 4.76 0.00 3.01 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 0.00 115 G 8.15 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 0.00 116 V 6.16 4.53 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 0.69 0.00 0.00 -0.04 0.00 0.00 117 L 8.78 4.26 0.00 1.62 1.58 0.93 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.72 5.52 4.45 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 1.25 0.00 0.00 119 T 8.15 4.61 4.40 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 1.23 0.00 0.00 120 E 9.74 4.02 0.00 1.95 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 2.31 2.30 0.00 121 S 7.59 4.71 0.00 3.94 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 0.00 122 I 8.23 3.69 1.84 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 1.47 0.65 0.86 0.00 0.00 123 E 8.25 3.92 0.00 2.06 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 2.38 2.49 0.00 124 Q 7.83 4.15 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 125 A 7.82 4.17 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 0.00 126 I 7.88 3.76 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.91 0.99 0.00 0.00 127 E 8.03 4.53 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 2.34 2.39 0.00 128 R 7.90 4.51 0.00 1.90 1.95 0.00 3.12 0.00 0.00 3.19 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.23 4.83 1.30 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 0.00 0.00 130 G 8.14 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 0.00 0.00 0.00 0.00 131 T 7.51 4.60 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 1.27 0.00 0.00 132 K 9.20 3.79 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.49 7.81 133 A 7.81 4.57 1.27 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 0.00 0.00 0.00 134 G 8.21 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 0.00 0.00 0.00 135 N 8.26 5.25 0.00 2.70 2.65 0.00 0.00 6.94 7.22 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 0.00 136 K 8.95 4.01 0.00 1.82 1.82 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.47 7.81 137 G 8.23 4.09 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 0.00 0.00 0.00 138 A 7.87 4.04 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 0.00 139 E 8.50 3.85 0.00 2.04 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 2.31 2.33 0.00 140 A 8.56 4.03 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 0.00 141 A 8.16 3.92 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 0.00 142 L 8.04 3.93 0.00 1.98 1.72 0.91 0.51 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 0.00 143 T 8.15 3.85 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 1.28 0.00 0.00 144 A 8.01 3.99 1.39 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 0.00 0.00 145 L 7.90 3.88 0.00 1.86 1.89 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.48 4.09 0.00 2.01 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 2.32 2.38 0.00 147 M 7.92 4.04 0.00 2.07 2.35 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.89 0.00 148 I 7.77 3.69 2.05 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 1.70 0.87 0.92 0.00 0.00 149 N 7.97 4.32 0.00 2.92 2.86 0.00 0.00 6.74 9.03 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 0.00 150 V 7.95 3.59 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 0.83 0.00 0.00 0.94 0.00 0.00 151 L 8.49 4.06 0.00 1.94 1.66 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.29 4.13 0.00 1.83 2.07 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.51 7.81 153 A 7.99 4.49 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 0.00 154 I 8.13 3.92 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 1.16 0.73 0.91 0.00 0.00