NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 G 3.7826 8.3549 109.7242 45.7988 0.0000 175.0590 10 H 5.5236 8.6083 121.2303 53.4241 30.3713 172.7667 11 M 4.6572 9.4718 120.7563 55.4895 35.3571 176.0049 12 L 4.2793 8.1000 120.2512 54.7524 42.8615 176.3564 13 Y 4.9855 7.9125 124.8999 57.1364 39.7221 172.3030 14 I 3.6339 9.0664 126.1780 60.5308 38.1441 176.7364 15 N 4.3029 7.6871 120.7734 52.0066 40.1897 174.9059 16 S 3.9600 9.0439 126.3421 61.0533 62.9418 176.3742 17 F 3.8676 7.6058 122.9240 61.0636 39.2794 176.6117 18 L 3.9350 8.0381 119.9171 58.3481 41.7354 178.7926 19 D 4.1932 7.7504 118.4514 57.3837 40.7650 178.9403 20 R 3.8637 7.8840 118.7117 59.2556 30.0362 178.5209 21 M 3.6870 7.8716 118.5001 58.7450 32.0528 178.5609 22 G 3.4999 7.8266 105.4776 47.6917 0.0000 175.4340 23 E 3.8623 8.2192 120.9583 59.1752 29.4334 179.5194 24 I 3.7141 7.4472 119.6723 64.4646 36.9656 178.3578 25 I 2.2690 6.9073 118.9900 64.2391 36.9815 178.4560 26 R 4.0944 7.8321 117.1186 57.2840 29.9383 177.8893 27 G 3.9996 7.5392 106.0370 45.3644 0.0000 174.3219 28 E 4.0958 8.0055 120.4321 57.8531 29.7240 177.3647 29 K 4.6097 7.4846 116.0731 53.7890 35.3769 175.8168 30 S 4.2465 8.3736 116.0838 58.4258 63.0201 175.8030 31 V 3.6472 8.2906 125.1643 64.3922 30.9605 177.7763 32 E 3.1616 7.6327 119.5489 58.9807 29.5393 177.9647 33 E 4.1645 7.7451 116.5389 57.1892 29.8137 178.2576 34 A 3.8003 7.5715 121.9201 55.0637 18.2111 178.7949 35 D 4.3171 7.7775 114.8021 57.6598 41.1236 178.1988 36 K 4.1165 7.9009 119.3803 59.3420 32.1183 178.3562 37 L 4.0360 7.7328 119.7520 57.5138 41.9751 177.9654 38 L 4.8182 7.5873 116.1669 53.5052 42.0551 176.3530 39 D 4.6014 7.6936 120.4407 53.9196 41.8074 176.7004 40 Q 4.1616 8.9710 127.0009 59.2497 28.5352 178.4662 41 K 4.0033 8.2154 121.1524 59.6291 32.2446 178.3931 42 N 4.4557 8.5557 116.7323 56.1637 38.4172 177.3804 43 I 3.8581 8.0851 121.3660 64.4608 37.2159 177.9331 44 F 4.2185 8.4491 121.2659 61.6831 39.2316 176.7979 45 E 3.9160 8.4398 118.6953 59.3114 29.2674 178.4515 46 M 4.0878 8.3823 119.9480 58.2521 32.3382 178.2903 47 F 4.1026 8.3009 117.8542 60.4512 39.1080 177.8158 48 R 3.9895 8.4781 118.2881 59.4175 29.7620 179.2576 49 S 4.2149 8.6453 114.3158 61.4337 62.8205 176.2199 50 D 4.3559 8.3634 122.5839 57.4314 40.5921 178.3402 51 C 4.4355 8.4519 117.2176 63.0916 28.1363 175.9579 52 E 4.0208 8.3235 120.4953 59.2508 29.2900 178.3127 53 E 3.9328 8.4221 119.4665 59.3912 29.6504 178.8658 54 I 3.6205 8.0762 119.9490 64.4349 37.0918 178.2074 55 L 4.2242 8.6899 120.0555 58.3269 41.5456 179.5713 56 N 4.4064 8.6240 116.3102 56.1380 38.3714 177.4393 57 L 4.0401 8.1433 120.6861 57.7953 41.6408 178.9654 58 Y 4.8643 7.8568 120.3147 60.4372 38.7292 178.0556 59 K 4.0786 8.3634 117.7884 58.0438 32.1763 178.3447 60 S 4.6668 7.8487 113.0580 57.3361 63.3775 174.6647 61 G 3.8566 8.0497 110.1411 46.4369 0.0000 175.1115 62 K 4.1626 8.1864 120.1804 57.4397 32.8012 177.2618 63 A 4.7415 7.6381 120.8338 49.3423 22.1098 175.3904 64 E 4.6664 8.6377 121.5267 55.6788 31.7013 178.5428 65 K 3.8415 8.7258 120.1763 60.1707 32.5826 178.8214 66 E 4.6747 8.0604 121.2226 58.1543 29.6610 178.4440 67 E 3.8909 8.0934 118.5117 59.5411 29.7282 179.5062 68 V 3.5667 7.8224 112.3471 64.0976 31.5281 178.6796 69 Q 4.1789 8.3379 118.3947 58.8669 28.4764 178.6873 70 R 3.8572 7.8878 119.6492 59.5673 30.0725 177.9149 71 N 4.4043 8.1454 116.6906 56.9931 38.8605 176.8065 72 F 4.4873 8.2934 119.0841 60.5374 38.9114 177.0778 73 Y 4.1598 8.4119 119.3078 60.9068 38.6319 178.2979 74 L 3.9879 8.3179 121.3678 57.0263 41.5985 179.3619 75 L 4.2989 8.4825 120.6457 57.9446 42.0422 178.7597 76 K 3.8845 8.6333 120.2843 59.9085 31.7025 178.8566 77 T 3.6664 7.9184 110.1927 64.7719 68.3144 175.6427 78 Y 4.0027 8.5196 122.8472 60.4724 37.4510 178.2432 79 V 3.3220 7.9944 119.1176 66.1666 31.4590 178.5199 80 V 3.7332 7.7122 110.7413 63.5856 31.3837 177.1927 81 S 4.6100 7.7038 111.2659 57.9448 65.2941 174.7587 82 Q 4.2259 7.9076 117.8157 55.6584 31.1920 177.3993 83 L 3.7495 6.8543 117.5971 58.1430 42.0127 179.1606 84 S 4.0392 7.8375 113.5131 61.5071 62.8038 176.4716 85 I 3.7418 7.5352 122.8065 64.6269 37.1125 178.0114 86 H 4.6633 8.4080 117.0603 58.5067 28.5034 177.5402 87 F 4.2840 8.7879 123.0850 61.5877 39.1470 177.1639 88 E 4.1268 8.5373 117.9276 59.3696 29.3454 178.9363 89 R 4.5761 8.5355 120.6574 59.1773 30.0813 178.0935 90 L 4.0943 7.8519 119.2998 57.7096 41.9891 178.5967 91 K 3.8291 7.9300 118.6837 59.8168 32.1971 178.7987 92 E 3.9642 8.5895 119.4971 59.0480 29.6371 178.6733 93 F 3.9856 8.7952 120.9937 61.3319 39.5915 177.1289 94 A 4.0602 8.7529 120.7674 54.9200 18.0876 179.1990 95 E 3.8508 8.6038 118.6407 59.3123 29.5989 178.6737 96 S 4.0486 7.5417 112.8107 61.8686 62.9405 176.6850 97 K 3.9963 7.3228 120.1996 56.8535 31.7006 177.8830 98 G 4.0396 8.6199 107.9651 45.1828 0.0000 173.9798 99 F 4.6988 8.2505 119.4954 55.6782 39.0979 175.0711 100 K 3.9745 7.9019 122.2461 57.0424 33.0182 175.3282 101 I 4.5721 8.3006 125.9180 59.9425 39.3936 176.1789 102 E 4.8038 8.6436 124.4636 55.7045 29.3588 175.6350 103 K 4.8671 7.6837 116.6962 54.5546 36.4862 176.1384 104 K 4.8756 8.5087 118.9465 55.2956 35.7917 175.2066 105 L 4.3935 7.5081 120.5960 52.6757 43.2561 175.6934 106 D 4.3724 9.5123 127.6768 53.7479 41.4698 175.6008 107 P 4.0966 0.0000 0.0000 66.1404 31.3018 178.4452 108 E 3.9621 8.0889 116.5090 59.1881 29.2693 179.5194 109 V 3.5780 7.8547 118.5454 65.8603 31.6272 177.7625 110 I 3.4154 7.6291 119.1590 64.7206 36.9196 177.6134 111 N 4.2004 8.0364 116.6628 56.6393 38.3239 177.4209 112 E 4.0348 8.1133 119.6616 59.1354 29.4284 179.5443 113 I 2.8088 7.4729 119.9631 63.8762 37.0161 178.1042 114 A 3.8575 7.5822 121.5163 55.2876 18.2139 179.6788 115 L 3.9063 7.9296 117.3441 58.0274 41.6956 179.0523 116 Y 4.0114 8.3089 119.7166 60.8764 38.7520 178.4044 117 I 3.8065 8.1713 120.8404 64.3678 36.9952 177.7239 118 D 4.4747 8.4218 119.3521 57.3456 40.7102 178.4043 119 R 3.7041 7.6037 118.2606 59.5034 30.2554 178.7853 120 V 3.5310 7.2117 117.3011 63.9887 31.4785 177.3110 121 E 3.2083 7.7647 120.1374 57.7387 29.4446 177.3329 122 K 3.8492 6.7469 117.6983 56.8525 32.9620 176.9539 123 E 4.2466 8.9953 130.7579 58.6246 29.6980 177.1381 124 V 3.8409 7.5426 123.0935 63.1757 32.2065 175.6581 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 9 G 8.35 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 0.00 0.00 0.00 10 H 8.61 5.52 0.00 3.25 3.22 0.00 5.70 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 11 M 9.47 4.66 0.00 1.96 2.08 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 2.69 2.44 0.00 12 L 8.10 4.28 0.00 1.69 1.58 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 7.91 4.99 0.00 2.82 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 14 I 9.07 3.63 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.56 0.78 0.00 0.00 15 N 7.69 4.30 0.00 1.78 1.94 0.00 0.00 7.23 7.40 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 16 S 9.04 3.96 0.00 3.75 3.74 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 17 F 7.61 3.87 0.00 2.84 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 18 L 8.04 3.93 0.00 1.41 1.52 1.12 1.13 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 19 D 7.75 4.19 0.00 2.60 2.57 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 20 R 7.88 3.86 0.00 1.64 1.74 0.00 3.02 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 21 M 7.87 3.69 0.00 1.85 1.53 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 22 G 7.83 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.22 3.86 0.00 2.05 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 2.43 2.34 0.00 24 I 7.45 3.71 1.73 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.00 0.81 0.00 0.00 25 I 6.91 2.27 1.66 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.01 0.71 0.00 0.00 26 R 7.83 4.09 0.00 1.79 1.94 0.00 3.12 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 27 G 7.54 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 28 E 8.01 4.10 0.00 2.02 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 2.31 2.23 0.00 29 K 7.48 4.61 0.00 1.61 1.61 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.25 1.23 7.81 30 S 8.37 4.25 0.00 3.83 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.29 3.65 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 0.76 0.00 0.00 0.94 0.00 0.00 32 E 7.63 3.16 0.00 1.94 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 2.45 2.61 0.00 33 E 7.75 4.16 0.00 2.13 1.86 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 2.22 2.23 0.00 34 A 7.57 3.80 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 35 D 7.78 4.32 0.00 2.77 2.78 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 36 K 7.90 4.12 0.00 1.87 1.76 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.51 7.81 37 L 7.73 4.04 0.00 1.67 1.75 0.79 0.63 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 38 L 7.59 4.82 0.00 1.55 1.26 0.63 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.69 4.60 0.00 2.87 2.76 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 40 Q 8.97 4.16 0.00 2.38 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 41 K 8.22 4.00 0.00 1.93 2.10 0.00 1.61 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.60 7.81 42 N 8.56 4.46 0.00 3.05 2.92 0.00 0.00 7.07 6.72 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 43 I 8.09 3.86 2.17 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.34 0.96 0.00 0.00 44 F 8.45 4.22 0.00 3.25 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 45 E 8.44 3.92 0.00 2.08 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 2.31 0.00 46 M 8.38 4.09 0.00 1.91 2.27 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.31 0.00 47 F 8.30 4.10 0.00 3.11 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 48 R 8.48 3.99 0.00 2.01 1.96 0.00 2.93 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.65 0.00 49 S 8.65 4.21 0.00 4.00 4.14 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 50 D 8.36 4.36 0.00 2.92 2.76 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 51 C 8.45 4.44 0.00 3.50 3.34 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 52 E 8.32 4.02 0.00 2.18 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 2.37 2.39 0.00 53 E 8.42 3.93 0.00 2.07 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 2.29 2.36 0.00 54 I 8.08 3.62 1.85 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.96 0.06 0.00 0.00 55 L 8.69 4.22 0.00 2.04 1.90 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.62 4.41 0.00 2.89 2.90 0.00 0.00 7.06 7.52 0.00 0.00 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 L 8.14 4.04 0.00 1.91 1.75 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 7.86 4.86 0.00 3.05 3.27 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 59 K 8.36 4.08 0.00 1.79 1.85 0.00 1.83 0.00 0.00 1.82 0.00 0.00 3.17 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.53 1.75 7.81 60 S 7.85 4.67 0.00 4.01 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 61 G 8.05 3.86 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 0.00 0.00 0.00 62 K 8.19 4.16 0.00 1.77 1.88 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.38 7.81 63 A 7.64 4.74 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 64 E 8.64 4.67 0.00 2.10 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 2.45 2.42 0.00 65 K 8.73 3.84 0.00 1.84 2.24 0.00 1.55 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.60 7.81 66 E 8.06 4.67 0.00 2.10 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 2.42 2.47 0.00 67 E 8.09 3.89 0.00 2.23 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 2.52 2.47 0.00 68 V 7.82 3.57 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 0.93 0.00 0.00 0.85 0.00 0.00 69 Q 8.34 4.18 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 70 R 7.89 3.86 0.00 1.74 2.01 0.00 3.28 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 71 N 8.15 4.40 0.00 2.79 2.68 0.00 0.00 7.32 6.99 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 72 F 8.29 4.49 0.00 3.22 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 73 Y 8.41 4.16 0.00 3.19 3.18 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 0.00 74 L 8.32 3.99 0.00 1.71 1.33 0.39 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.48 4.30 0.00 2.18 2.04 1.13 0.94 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 76 K 8.63 3.88 0.00 1.89 1.96 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.41 7.81 77 T 7.92 3.67 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 0.58 0.00 0.00 78 Y 8.52 4.00 0.00 3.37 3.35 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 79 V 7.99 3.32 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 0.60 0.00 0.00 0.20 0.00 0.00 80 V 7.71 3.73 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 0.71 0.00 0.00 0.86 0.00 0.00 81 S 7.70 4.61 0.00 3.87 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 82 Q 7.91 4.23 0.00 1.22 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.77 0.00 0.00 0.00 0.00 0.00 2.11 2.35 0.00 83 L 6.85 3.75 0.00 1.47 1.56 0.49 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 84 S 7.84 4.04 0.00 4.00 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 85 I 7.54 3.74 1.91 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.38 0.94 0.00 0.00 86 H 8.41 4.66 0.00 3.52 3.68 0.00 5.65 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 F 8.79 4.28 0.00 3.35 3.26 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 88 E 8.54 4.13 0.00 2.31 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 2.73 2.54 0.00 89 R 8.54 4.58 0.00 2.15 2.17 0.00 3.33 0.00 0.00 3.29 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 90 L 7.85 4.09 0.00 1.92 1.72 0.76 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.93 3.83 0.00 2.12 1.92 0.00 2.13 0.00 0.00 1.93 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.43 1.38 7.81 92 E 8.59 3.96 0.00 2.07 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 0.00 2.38 2.36 0.00 93 F 8.80 3.99 0.00 3.24 3.20 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 0.00 0.00 0.00 94 A 8.75 4.06 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 95 E 8.60 3.85 0.00 2.18 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 2.32 2.48 0.00 96 S 7.54 4.05 0.00 3.99 3.94 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 97 K 7.32 4.00 0.00 1.56 1.76 0.00 1.28 0.00 0.00 1.51 0.00 0.00 2.55 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.96 0.43 7.81 98 G 8.62 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 99 F 8.25 4.70 0.00 2.91 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 0.00 100 K 7.90 3.97 0.00 1.77 1.71 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.59 1.52 7.81 101 I 8.30 4.57 1.91 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.03 1.04 0.00 0.00 102 E 8.64 4.80 0.00 1.97 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 2.23 2.25 0.00 103 K 7.68 4.87 0.00 1.83 1.89 0.00 1.97 0.00 0.00 1.87 0.00 0.00 3.44 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.47 7.81 104 K 8.51 4.88 0.00 1.77 1.81 0.00 1.55 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.44 7.81 105 L 7.51 4.39 0.00 0.27 0.55 0.76 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 106 D 9.51 4.37 0.00 2.73 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 0.00 107 P 0.00 4.10 0.00 2.09 2.06 0.00 3.53 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 108 E 8.09 3.96 0.00 2.04 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 2.39 2.41 0.00 109 V 7.85 3.58 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 1.13 0.00 0.00 1.03 0.00 0.00 110 I 7.63 3.42 1.87 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.32 0.74 0.00 0.00 111 N 8.04 4.20 0.00 2.81 2.82 0.00 0.00 7.14 7.06 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 0.00 112 E 8.11 4.03 0.00 2.20 2.24 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 2.44 2.39 0.00 113 I 7.47 2.81 1.46 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 -0.36 0.27 0.00 0.00 114 A 7.58 3.86 1.20 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 0.00 0.00 0.00 0.00 0.00 115 L 7.93 3.91 0.00 1.94 1.75 0.92 0.62 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 0.00 116 Y 8.31 4.01 0.00 3.40 3.16 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 0.00 117 I 8.17 3.81 2.04 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 1.66 0.63 1.03 0.00 0.00 118 D 8.42 4.47 0.00 2.86 2.84 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 0.00 119 R 7.60 3.70 0.00 1.82 1.81 0.00 3.20 0.00 0.00 2.91 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.50 0.00 120 V 7.21 3.53 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 0.53 0.00 0.00 0.72 0.00 0.00 121 E 7.76 3.21 0.00 1.98 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 2.25 2.19 0.00 122 K 6.75 3.85 0.00 1.79 1.71 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.46 7.81 123 E 9.00 4.25 0.00 1.90 1.73 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 2.42 2.19 0.00 124 V 7.54 3.84 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 0.89 0.00 0.00 1.15 0.00 0.00