NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4366 8.2893 118.1955 55.0856 32.9026 174.9444 2 N 4.5679 8.2648 118.8097 51.1938 39.1103 174.5103 3 T 3.8805 9.1191 114.5107 64.9098 68.2676 177.6065 4 E 3.9344 7.9963 120.3416 59.2111 29.8783 177.9957 5 E 3.9100 8.2270 118.8073 59.6199 29.4068 178.8977 6 L 3.9546 7.7836 118.2041 57.7918 41.6887 179.3628 7 Q 3.5696 7.9277 118.0383 58.6921 28.5592 179.1751 8 V 3.4027 7.7183 118.8005 65.9250 31.7048 177.6046 9 A 3.9311 7.8778 120.3242 55.4750 18.1358 179.2602 10 A 3.8184 8.0307 119.0356 55.5146 17.7274 179.8489 11 F 4.4766 7.5719 115.7608 61.0554 39.0136 176.7427 12 E 3.8895 8.8783 118.7896 59.4465 29.2449 178.7150 13 I 3.6471 8.0262 118.8501 64.8311 37.4632 178.2627 14 I 3.6630 8.3450 120.2674 64.4041 37.0030 178.3750 15 L 3.9694 9.3197 119.7503 58.2016 41.5593 179.5458 16 N 4.3803 8.7371 116.4920 56.2304 38.4438 177.3945 17 S 4.4069 8.3188 114.6805 60.7128 62.5588 176.2495 18 G 3.6736 8.4246 109.1045 47.7891 0.0000 175.1506 19 N 4.2675 8.1942 119.3757 56.4514 39.0886 176.5726 20 A 4.0075 8.4295 122.5694 55.4873 18.3440 179.6493 21 R 3.9304 8.0499 117.0029 59.6315 30.2188 178.9072 22 S 4.2482 8.2299 115.0853 61.6434 62.7982 176.7028 23 I 3.9155 7.8589 122.6539 64.3279 36.7950 178.6710 24 V 3.4875 7.7988 119.2561 66.1915 31.3319 177.8738 25 H 4.5460 8.3220 115.7884 58.5337 28.3979 177.6481 26 E 4.1452 8.2686 120.6974 59.4540 29.3282 179.1994 27 A 3.9667 7.9162 120.6362 54.8033 18.0834 179.8371 28 F 4.3034 7.7490 115.9862 60.8713 39.4322 177.1232 29 D 4.5663 8.6308 118.7694 57.4834 40.5846 178.8282 30 A 3.9722 8.3796 121.4896 55.4686 18.1775 179.6036 31 M 3.9977 8.0688 116.8710 58.1581 31.5852 178.9858 32 R 4.2295 7.5587 117.2833 58.3416 30.4376 177.6809 33 E 4.2406 7.8716 115.5895 55.5387 29.9450 176.3046 34 K 3.1025 7.0793 115.9731 57.3988 30.5235 176.9200 35 N 4.5025 7.7862 117.3378 52.5849 37.0951 175.7850 36 Y 4.6698 7.2582 114.6759 59.0510 38.4871 176.3573 37 I 4.2384 7.4187 120.0611 62.2484 39.7952 176.4202 38 L 3.8423 7.9533 120.3897 57.8995 41.9296 178.2991 39 A 3.9152 8.1214 120.3851 55.4666 18.1456 179.0741 40 E 3.8410 7.4830 115.2452 59.6003 29.9063 178.6411 41 Q 4.0770 7.9460 119.3602 59.1554 29.2073 178.1155 42 K 3.9960 8.3900 119.9171 59.4352 32.1666 179.2314 43 L 4.2232 7.9973 119.0562 57.4018 41.3826 179.5441 44 Q 4.0246 8.2940 118.6654 58.7310 28.8416 177.5159 45 E 3.8820 8.2781 118.7134 59.4459 29.5125 178.8549 46 A 3.9556 8.5395 120.6150 55.5069 18.3975 179.0367 47 N 4.1736 7.9794 114.7271 57.1052 38.7949 176.4040 48 D 4.3862 8.3854 118.9587 57.7371 41.1039 178.7335 49 E 4.1269 8.5498 119.0730 59.3657 29.3986 179.3855 50 L 3.9919 8.4398 119.4488 57.7498 41.6959 179.2069 51 L 3.7658 8.2425 120.3560 58.1066 41.7805 179.1060 52 K 3.9246 7.9197 118.4315 59.2863 31.9525 178.7843 53 A 3.9890 7.9719 120.2153 55.6578 18.2894 178.7815 54 H 4.0740 8.9649 117.1793 59.6099 29.8888 177.1525 55 Q 3.9214 8.5311 121.3697 58.9926 28.9333 177.9049 56 A 3.9593 8.1371 121.8152 55.2538 18.4975 179.0664 57 Q 3.8748 8.2950 118.1978 59.9349 29.0550 178.7904 58 T 3.8900 8.2911 114.0797 65.3523 67.2052 175.7198 59 D 4.5554 8.2916 120.9172 57.0717 40.7119 178.6447 60 L 4.0423 7.9240 119.8249 57.7601 41.6229 179.4429 61 L 4.1695 7.9663 119.3041 58.1315 40.7252 178.9212 62 Q 4.1101 8.4772 121.2707 59.1906 28.5907 177.5577 63 E 3.9306 8.9040 121.2856 59.7593 29.6033 178.3095 64 Y 4.2785 8.5768 120.5707 60.1018 38.6350 177.5277 65 A 3.9763 8.8160 122.2359 54.7922 18.5162 178.7618 66 S 4.4490 7.4910 109.3977 58.2960 63.6653 175.0128 67 G 3.9160 7.6006 110.5274 45.6825 0.0000 174.7289 68 T 3.9132 7.5949 117.1451 63.7196 68.9667 173.0779 69 E 4.5577 8.5783 125.3217 55.3064 30.6896 176.0380 70 I 4.4025 8.1807 123.5007 59.0431 38.8800 175.1782 71 K 4.1384 8.4065 126.7694 56.0307 32.1261 176.3139 72 I 3.7641 7.5359 126.4994 59.7607 38.0460 173.3707 73 E 4.0720 8.0919 121.0458 56.7772 29.5224 175.7332 74 I 3.7188 8.4106 122.9468 64.1676 37.9651 177.7998 75 I 3.9094 7.7074 113.1830 63.4223 37.6307 177.8980 76 M 3.8973 7.9610 120.5833 58.5853 32.0791 177.8863 77 V 3.5531 7.8748 118.0043 66.6268 31.5193 177.3359 78 H 4.1687 8.3847 117.3507 59.0445 29.6334 176.8873 79 A 4.0192 8.4411 123.0271 55.4526 18.1313 179.6768 80 Q 3.9057 8.5854 116.6801 59.2488 28.7495 178.6322 81 D 4.3420 8.4134 120.2421 57.6750 40.8211 178.7213 82 H 3.9988 8.1954 116.5306 58.6693 28.7160 177.3964 83 L 3.9037 8.0991 122.2452 58.7536 41.8930 179.0706 84 M 4.0472 8.3242 118.7191 58.4421 31.8128 179.0336 85 T 3.8748 8.1036 116.1141 66.8051 68.5994 177.0013 86 T 3.8412 8.3650 117.9513 66.7727 68.5263 175.9668 87 M 3.9163 8.5665 120.5052 59.3980 32.1518 178.2803 88 T 3.8731 8.1137 112.8009 64.9951 67.4601 175.7701 89 L 4.0184 8.3035 122.7551 58.0393 41.9734 179.0306 90 R 3.8171 8.1401 118.9193 59.1681 30.0136 178.2462 91 E 3.9251 8.2042 118.4584 59.4837 29.4930 179.3259 92 V 3.6107 7.9690 117.9570 66.2159 31.5235 177.9442 93 A 3.9709 8.1067 120.3246 54.9792 17.9665 179.5018 94 I 3.5813 8.0341 118.7794 64.8366 37.2710 178.5457 95 E 4.0004 8.1794 119.1497 59.6126 29.1984 179.2421 96 M 4.2633 8.3958 118.7001 57.8006 31.8942 178.5083 97 L 4.0596 7.8245 120.2507 57.9602 42.5096 178.3709 98 E 3.9924 7.9756 118.8494 59.4762 29.2232 178.5152 99 L 3.8026 7.7347 118.9130 58.9622 42.1476 178.4624 100 Y 4.1426 8.1934 116.2851 60.7937 39.1011 179.1865 101 K 4.1321 7.5021 118.3300 54.5222 29.1530 177.3558 102 K 4.0485 7.4380 122.1945 57.2898 33.0337 175.8415 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 4.44 0.00 2.15 2.29 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 2 N 8.26 4.57 0.00 3.12 2.97 0.00 0.00 5.86 6.34 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 3 T 9.12 3.88 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 1.21 0.00 0.00 4 E 8.00 3.93 0.00 2.09 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 2.40 2.43 0.00 5 E 8.23 3.91 0.00 2.18 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 2.37 2.42 0.00 6 L 7.78 3.95 0.00 1.86 1.63 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 7.93 3.57 0.00 2.19 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 8 V 7.72 3.40 2.19 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 nan 0.00 0.00 1.00 0.00 0.00 9 A 7.88 3.93 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 10 A 8.03 3.82 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 11 F 7.57 4.48 0.00 3.14 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 12 E 8.88 3.89 0.00 2.20 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 2.34 2.41 0.00 13 I 8.03 3.65 2.01 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 1.69 0.85 0.95 0.00 0.00 14 I 8.34 3.66 2.08 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.66 0.92 0.00 0.00 15 L 9.32 3.97 0.00 2.03 1.74 0.91 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 16 N 8.74 4.38 0.00 2.69 3.04 0.00 0.00 6.76 7.48 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 17 S 8.32 4.41 0.00 3.92 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 18 G 8.42 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 0.00 0.00 0.00 19 N 8.19 4.27 0.00 2.92 3.00 0.00 0.00 7.12 8.39 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 20 A 8.43 4.01 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 21 R 8.05 3.93 0.00 2.15 2.09 0.00 3.19 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 22 S 8.23 4.25 0.00 3.95 3.93 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 23 I 7.86 3.92 2.01 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 0.75 0.95 0.00 0.00 24 V 7.80 3.49 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 0.71 0.00 0.00 0.90 0.00 0.00 25 H 8.32 4.55 0.00 3.48 3.44 0.00 5.68 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.27 4.15 0.00 2.17 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 2.34 2.35 0.00 27 A 7.92 3.97 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 28 F 7.75 4.30 0.00 3.28 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 29 D 8.63 4.57 0.00 2.85 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 30 A 8.38 3.97 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 31 M 8.07 4.00 0.00 0.51 1.78 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.43 0.00 32 R 7.56 4.23 0.00 2.07 2.02 0.00 3.34 0.00 0.00 3.57 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 33 E 7.87 4.24 0.00 1.94 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 2.41 2.30 0.00 34 K 7.08 3.10 0.00 1.76 1.56 0.00 1.91 0.00 0.00 1.90 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.28 7.81 35 N 7.79 4.50 0.00 2.87 2.69 0.00 0.00 7.08 7.02 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 36 Y 7.26 4.67 0.00 3.03 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 37 I 7.42 4.24 1.90 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 1.53 1.50 0.91 0.00 0.00 38 L 7.95 3.84 0.00 1.72 1.69 0.90 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.12 3.92 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 40 E 7.48 3.84 0.00 2.24 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 2.32 2.32 0.00 41 Q 7.95 4.08 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 42 K 8.39 4.00 0.00 1.76 1.81 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.55 7.81 43 L 8.00 4.22 0.00 1.86 1.66 0.82 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.29 4.02 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 45 E 8.28 3.88 0.00 2.19 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 2.40 2.39 0.00 46 A 8.54 3.96 1.29 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 0.00 0.00 0.00 0.00 0.00 47 N 7.98 4.17 0.00 2.99 2.93 0.00 0.00 7.28 7.95 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 48 D 8.39 4.39 0.00 2.78 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 49 E 8.55 4.13 0.00 2.09 2.15 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 2.33 2.68 0.00 50 L 8.44 3.99 0.00 1.90 1.73 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.24 3.77 0.00 1.86 1.69 0.90 0.91 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 52 K 7.92 3.92 0.00 2.12 1.85 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.47 7.81 53 A 7.97 3.99 1.33 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 0.00 0.00 0.00 54 H 8.96 4.07 0.00 3.32 3.41 0.00 5.61 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.53 3.92 0.00 2.40 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 56 A 8.14 3.96 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 57 Q 8.30 3.87 0.00 2.12 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 58 T 8.29 3.89 4.26 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 1.25 0.00 0.00 59 D 8.29 4.56 0.00 2.88 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 60 L 7.92 4.04 0.00 1.94 1.72 0.90 0.53 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 61 L 7.97 4.17 0.00 2.01 1.92 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.48 4.11 0.00 2.45 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 63 E 8.90 3.93 0.00 2.25 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 0.00 2.33 2.40 0.00 64 Y 8.58 4.28 0.00 3.05 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 65 A 8.82 3.98 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 66 S 7.49 4.45 0.00 4.04 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 0.00 67 G 7.60 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 0.00 0.00 0.00 68 T 7.59 3.91 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 1.22 0.00 0.00 69 E 8.58 4.56 0.00 1.97 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 2.26 2.27 0.00 70 I 8.18 4.40 1.94 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 1.34 0.70 0.91 0.00 0.00 71 K 8.41 4.14 0.00 1.72 1.70 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.42 1.46 7.81 72 I 7.54 3.76 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.86 0.88 0.00 0.00 73 E 8.09 4.07 0.00 2.14 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 2.24 2.19 0.00 74 I 8.41 3.72 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 1.70 1.36 0.92 0.00 0.00 75 I 7.71 3.91 1.89 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 1.51 0.61 1.03 0.00 0.00 76 M 7.96 3.90 0.00 2.33 2.04 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 77 V 7.87 3.55 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 1.07 0.00 0.00 0.98 0.00 0.00 78 H 8.38 4.17 0.00 3.40 3.49 0.00 5.85 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 79 A 8.44 4.02 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 80 Q 8.59 3.91 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 81 D 8.41 4.34 0.00 2.77 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 82 H 8.20 4.00 0.00 3.37 3.32 0.00 5.63 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.10 3.90 0.00 1.73 1.79 0.88 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 84 M 8.32 4.05 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.77 0.00 85 T 8.10 3.87 4.56 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 1.17 0.00 0.00 86 T 8.37 3.84 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 1.27 0.00 0.00 87 M 8.57 3.92 0.00 2.21 2.04 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 2.60 2.67 0.00 88 T 8.11 3.87 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 1.31 0.00 0.00 89 L 8.30 4.02 0.00 1.94 1.85 1.06 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.14 3.82 0.00 1.97 2.04 0.00 3.12 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 91 E 8.20 3.93 0.00 2.28 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 2.33 2.32 0.00 92 V 7.97 3.61 2.37 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 1.14 0.00 0.00 1.04 0.00 0.00 93 A 8.11 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 8.03 3.58 2.01 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 1.68 0.99 0.90 0.00 0.00 95 E 8.18 4.00 0.00 2.27 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 2.34 2.40 0.00 96 M 8.40 4.26 0.00 2.40 2.50 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 2.73 2.64 0.00 97 L 7.82 4.06 0.00 1.63 1.95 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 98 E 7.98 3.99 0.00 2.16 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 2.49 2.46 0.00 99 L 7.73 3.80 0.00 1.66 1.73 0.86 0.95 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 0.00 100 Y 8.19 4.14 0.00 3.06 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 0.00 101 K 7.50 4.13 0.00 1.76 1.68 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.77 1.24 7.81 102 K 7.44 4.05 0.00 1.88 1.61 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.24 1.31 7.81