NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4946 8.2893 120.3541 55.6641 33.4380 174.3326 2 E 4.8017 8.2327 120.1000 54.9604 32.2423 172.6825 3 A 4.5910 9.3814 124.7917 50.2950 22.2746 177.8645 4 K 4.3283 8.5073 121.5757 56.0646 34.0926 175.0255 5 A 4.3137 8.0563 122.3567 48.7496 22.4454 172.5416 6 I 3.0787 8.0960 126.1104 59.6979 37.2043 173.5680 7 A 4.5192 8.6620 128.5437 50.1407 20.3618 175.4015 8 R 4.3309 8.3691 121.2218 57.5091 31.3471 176.5210 9 Y 3.7466 8.9583 115.0443 59.5813 35.0002 171.0419 10 V 3.4166 8.7557 121.2409 64.0577 32.8629 176.1185 11 R 3.8324 9.2045 116.1574 55.3968 27.2260 175.7930 12 I 4.2094 7.1282 116.5538 59.8101 42.3160 173.3278 13 S 4.2487 8.6325 122.4008 57.7815 62.2976 171.6479 14 P 4.1371 0.0000 0.0000 64.7307 31.8968 179.5304 15 R 3.8232 7.6402 116.8993 59.1718 30.5486 178.3828 16 K 3.8782 7.2765 116.4865 59.7453 32.1747 179.0146 17 V 4.0276 8.5370 112.2691 63.5762 32.0211 178.4301 18 R 3.8905 8.0838 117.3858 59.7371 29.6491 178.4687 19 L 4.1278 7.5209 117.5291 57.6041 41.7754 179.3370 20 V 3.8941 8.8196 118.8391 65.3063 31.7255 177.9404 21 V 3.5870 7.8015 117.5210 66.4816 31.2477 177.3988 22 D 4.4399 8.7013 118.5735 57.4150 40.4395 178.3775 23 L 4.1724 8.1072 119.6762 56.5922 42.1631 177.0179 24 I 4.4474 7.7664 109.2104 60.2208 38.7998 175.0314 25 R 3.7026 7.4741 121.3926 59.5216 29.7536 176.6577 26 G 3.8598 9.4731 116.6442 45.6424 0.0000 169.9804 27 K 4.7106 7.2252 116.9140 54.7146 37.2542 176.0388 28 S 4.8656 8.3533 113.5463 57.5307 63.7551 174.9716 29 L 3.9884 8.6434 123.7616 58.4366 41.3785 179.0512 30 E 4.0608 8.0842 118.1508 59.5414 30.0147 177.0019 31 E 3.9622 9.3034 120.4201 57.0861 29.3789 178.3137 32 A 3.9638 8.2083 119.9082 55.4911 19.0098 179.5895 33 R 3.8520 7.6198 115.4072 59.9725 30.0110 178.9947 34 N 4.4181 8.1117 114.3158 56.8502 38.8316 176.8034 35 I 3.7141 7.9028 120.4612 64.6261 36.9040 177.8038 36 L 4.2326 8.3467 122.6260 58.0737 41.7642 179.6229 37 R 3.9139 7.6956 117.8832 58.3674 29.9363 176.3013 38 Y 4.7650 8.1366 115.4628 57.7831 39.0778 174.9660 39 T 4.4089 8.0057 117.0229 62.1240 69.4395 174.8970 40 N 4.6651 8.5399 126.3277 52.1407 37.6719 173.6286 41 K 4.4938 7.6310 120.1472 54.9179 36.3601 176.0079 42 R 3.8911 8.6981 122.3029 59.3559 30.2825 178.4278 43 G 3.9010 8.6163 105.6327 49.5079 0.0000 176.3316 44 A 3.4572 6.9596 120.0529 52.6938 20.5079 178.7130 45 Y 3.8275 7.8696 113.9878 60.8526 39.1310 179.2704 46 F 4.5057 7.9908 118.4474 60.5456 38.8429 177.3000 47 V 3.9530 8.0104 115.4717 63.9445 31.2400 176.5103 48 A 4.2091 8.8998 120.5552 53.0670 18.3514 181.1918 49 K 4.5609 7.1333 116.6649 57.5459 33.3484 177.6371 50 V 3.5838 7.6436 118.7899 64.6378 31.1711 177.7775 51 L 4.1209 7.5800 121.2774 57.4606 41.6333 178.9477 52 E 3.8506 8.2717 118.9597 58.8070 29.3735 178.5483 53 S 4.0470 7.7288 112.3435 60.7344 62.6566 175.6940 54 A 4.1597 8.6902 122.9145 55.1297 18.1491 179.1336 55 A 4.0319 8.3052 119.8054 55.0726 18.4741 179.4773 56 A 3.9592 7.7010 118.4073 55.0325 18.3115 179.5038 57 N 4.3684 8.1834 115.0031 56.0902 38.6272 177.3980 58 A 3.9271 8.1447 122.3506 54.7597 18.2322 178.6993 59 V 3.7275 8.0002 116.7320 64.0406 30.9087 177.3927 60 N 4.2443 6.4498 117.1089 56.7720 39.2877 176.0472 61 N 4.7431 7.5932 110.8709 53.8908 38.7072 175.7233 62 H 4.6753 8.0358 111.6894 55.8133 33.1243 173.9969 63 D 4.2952 9.5568 112.3964 54.7894 37.5853 173.4162 64 M 4.2746 8.2848 124.8425 54.8275 33.4361 172.3484 65 L 3.5547 7.8407 127.8521 54.0714 40.3846 173.6704 66 E 3.9450 8.9727 127.2603 59.5523 29.9948 178.2127 67 D 4.5289 8.1599 117.8115 57.3483 41.1762 177.2684 68 R 4.5088 7.8415 117.4755 56.5745 30.2367 176.4499 69 L 5.3431 7.4457 117.2116 52.7014 43.6091 175.1359 70 Y 4.6929 7.7564 116.6400 56.9593 39.3790 173.1036 71 V 3.8320 8.2065 122.5298 61.4398 30.3791 175.8898 72 K 3.2125 7.9319 127.2030 58.4008 32.4427 175.7547 73 A 4.5711 7.9112 117.8745 51.5928 23.0108 174.7012 74 A 5.2968 8.3968 119.4418 51.6666 22.5151 174.9754 75 Y 4.8840 8.1795 116.9533 56.3849 42.0418 173.5941 76 V 4.7051 8.3241 118.8849 60.2231 33.9664 174.4847 77 D 5.0474 8.7753 125.1383 52.3742 43.6683 175.1486 78 E 4.5727 8.7692 122.7079 55.8385 30.6019 176.2297 79 G 4.0111 8.7374 114.7846 43.4100 0.0000 171.4419 80 P 4.2200 0.0000 0.0000 63.1875 31.3577 175.9014 81 A 4.2207 8.2486 122.8217 51.6596 19.8526 177.4528 82 L 4.3716 8.3270 121.5565 53.1393 41.6132 176.1556 83 K 4.3738 8.3619 123.4043 56.2785 32.9591 176.5928 84 R 4.7612 8.9364 122.6581 54.3910 34.8470 174.0560 85 V 4.7588 8.2810 119.4927 61.1199 33.8780 174.3735 86 L 4.7975 9.4413 130.6913 52.5940 44.2953 173.5112 87 P 4.8771 0.0000 0.0000 62.5416 32.7188 175.2931 88 R 4.8040 8.3918 119.3125 53.6004 34.7979 174.5865 89 A 4.2051 8.6908 122.4154 53.4254 18.6401 177.2341 90 R 3.8038 9.5187 114.9078 57.1405 27.8491 177.2594 91 G 3.8560 7.7108 101.7418 46.3644 0.0000 175.9040 92 R 3.4313 7.1983 118.4672 55.4084 30.3102 173.3838 93 A 3.7103 7.9913 135.0000 52.1800 15.5296 176.7683 94 D 5.0228 9.1928 121.2594 53.3439 44.3946 175.9513 95 I 5.2111 7.9648 113.7909 58.4248 38.4151 175.2999 96 I 3.8543 8.2196 128.1760 60.5941 39.3035 174.8543 97 K 4.9716 7.8716 123.1214 54.0558 31.4473 175.8481 98 K 3.8770 8.0883 120.7151 56.5625 33.2806 178.1244 99 R 4.5807 8.3540 124.1906 56.0010 32.1604 175.1703 100 T 4.7462 8.1238 113.2158 60.7195 70.8318 172.5833 101 S 5.0928 8.1397 123.1042 57.3385 66.7509 172.9722 102 H 5.2364 9.0995 119.1077 54.0657 30.2472 171.3075 103 I 4.2573 8.3874 123.1823 60.8734 38.3267 174.7325 104 T 4.6967 8.0964 124.4503 61.5570 70.4708 173.6455 105 V 4.4740 8.3631 126.5041 60.8567 34.7448 173.9923 106 I 4.8388 8.5810 121.6926 58.9610 39.5438 175.1693 107 L 4.6445 8.9768 128.3398 54.7873 43.1527 176.3822 108 G 4.7036 9.1486 107.7442 44.8670 0.0000 171.5622 109 E 4.3768 8.7817 119.0771 55.6793 30.2875 176.0878 110 K 3.3763 9.0214 123.5305 57.4116 31.0093 176.8839 111 H 4.1228 8.0681 125.2611 52.4877 33.8809 173.0304 112 G 3.2196 7.9913 113.1542 44.8428 0.0000 174.3461 113 K 4.1346 7.6864 124.8070 54.8241 31.6200 178.7887 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 4.49 0.00 2.00 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 2.52 2.64 0.00 2 E 8.23 4.80 0.00 2.18 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 0.00 2.17 2.39 0.00 3 A 9.38 4.59 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 4 K 8.51 4.33 0.00 1.65 1.80 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.45 7.81 5 A 8.06 4.31 1.14 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 0.00 0.00 6 I 8.10 3.08 1.83 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 0.41 0.82 0.00 0.00 7 A 8.66 4.52 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 8 R 8.37 4.33 0.00 1.43 1.20 0.00 3.16 0.00 0.00 2.82 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.29 0.00 9 Y 8.96 3.75 0.00 2.99 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 10 V 8.76 3.42 1.82 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 -0.16 0.00 0.00 0.91 0.00 0.00 11 R 9.20 3.83 0.00 1.80 2.08 0.00 3.48 0.00 0.00 3.11 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.62 0.00 12 I 7.13 4.21 1.87 0.00 0.00 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 1.24 1.00 0.80 0.00 0.00 13 S 8.63 4.25 0.00 3.88 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 14 P 0.00 4.14 0.00 2.21 1.95 0.00 3.94 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.07 0.00 15 R 7.64 3.82 0.00 1.87 1.95 0.00 3.16 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 16 K 7.28 3.88 0.00 2.01 1.93 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.67 7.81 17 V 8.54 4.03 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 1.03 0.00 0.00 0.98 0.00 0.00 18 R 8.08 3.89 0.00 1.87 2.04 0.00 3.16 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 19 L 7.52 4.13 0.00 1.76 1.77 0.97 0.89 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 20 V 8.82 3.89 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 1.12 0.00 0.00 0.98 0.00 0.00 21 V 7.80 3.59 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 1.11 0.00 0.00 0.94 0.00 0.00 22 D 8.70 4.44 0.00 2.94 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 23 L 8.11 4.17 0.00 1.82 1.80 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.77 4.45 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 1.36 0.84 0.92 0.00 0.00 25 R 7.47 3.70 0.00 1.94 1.93 0.00 3.26 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 26 G 9.47 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 27 K 7.23 4.71 0.00 1.78 1.72 0.00 1.68 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.52 7.81 28 S 8.35 4.87 0.00 4.06 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 29 L 8.64 3.99 0.00 1.81 1.76 0.92 0.85 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 30 E 8.08 4.06 0.00 2.02 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 2.31 2.37 0.00 31 E 9.30 3.96 0.00 2.11 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 0.00 2.33 2.40 0.00 32 A 8.21 3.96 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 33 R 7.62 3.85 0.00 2.17 2.01 0.00 3.27 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 34 N 8.11 4.42 0.00 2.88 2.98 0.00 0.00 7.16 7.05 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 35 I 7.90 3.71 2.08 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 1.67 0.69 0.94 0.00 0.00 36 L 8.35 4.23 0.00 1.56 1.72 0.92 0.89 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 37 R 7.70 3.91 0.00 1.81 2.02 0.00 2.92 0.00 0.00 3.03 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.62 0.00 38 Y 8.14 4.76 0.00 2.96 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 39 T 8.01 4.41 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 1.23 0.00 0.00 40 N 8.54 4.67 0.00 2.69 2.78 0.00 0.00 7.07 6.68 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 41 K 7.63 4.49 0.00 1.75 1.66 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.34 7.81 42 R 8.70 3.89 0.00 1.83 1.95 0.00 3.20 0.00 0.00 3.38 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.48 0.00 43 G 8.62 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 44 A 6.96 3.46 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 45 Y 7.87 3.83 0.00 2.98 2.49 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 46 F 7.99 4.51 0.00 3.25 3.13 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 0.00 47 V 8.01 3.95 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 1.02 0.00 0.00 1.00 0.00 0.00 48 A 8.90 4.21 1.11 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 0.00 0.00 49 K 7.13 4.56 0.00 1.95 1.83 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.94 1.40 7.81 50 V 7.64 3.58 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 0.95 0.00 0.00 0.96 0.00 0.00 51 L 7.58 4.12 0.00 1.53 2.00 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.27 3.85 0.00 2.04 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 0.00 2.25 2.33 0.00 53 S 7.73 4.05 0.00 3.96 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 54 A 8.69 4.16 1.32 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 0.00 0.00 0.00 55 A 8.31 4.03 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 56 A 7.70 3.96 1.32 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 0.00 0.00 0.00 57 N 8.18 4.37 0.00 2.96 2.87 0.00 0.00 6.71 6.98 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 58 A 8.14 3.93 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 59 V 8.00 3.73 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 1.07 0.00 0.00 0.94 0.00 0.00 60 N 6.45 4.24 0.00 2.73 2.91 0.00 0.00 7.15 7.88 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 61 N 7.59 4.74 0.00 3.03 2.77 0.00 0.00 6.92 8.04 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 62 H 8.04 4.68 0.00 3.23 3.29 0.00 5.98 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 63 D 9.56 4.30 0.00 2.87 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 64 M 8.28 4.27 0.00 2.15 2.20 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 2.84 2.47 0.00 65 L 7.84 3.55 0.00 1.86 1.74 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.97 3.94 0.00 1.97 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 2.31 2.38 0.00 67 D 8.16 4.53 0.00 2.75 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 68 R 7.84 4.51 0.00 1.77 1.89 0.00 3.21 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 69 L 7.45 5.34 0.00 1.92 1.68 0.95 0.73 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 70 Y 7.76 4.69 0.00 3.26 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 71 V 8.21 3.83 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 0.87 0.00 0.00 0.90 0.00 0.00 72 K 7.93 3.21 0.00 1.61 2.04 0.00 1.77 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.47 7.81 73 A 7.91 4.57 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 74 A 8.40 5.30 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 75 Y 8.18 4.88 0.00 2.98 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 76 V 8.32 4.71 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 77 D 8.78 5.05 0.00 2.68 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 78 E 8.77 4.57 0.00 1.97 1.83 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 2.22 2.43 0.00 79 G 8.74 4.01 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 0.00 0.00 0.00 80 P 0.00 4.22 0.00 2.03 1.98 0.00 3.42 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 81 A 8.25 4.22 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 82 L 8.33 4.37 0.00 1.67 1.61 0.87 0.67 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 83 K 8.36 4.37 0.00 1.62 1.73 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.44 7.81 84 R 8.94 4.76 0.00 1.67 1.77 0.00 3.23 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 85 V 8.28 4.76 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 0.76 0.00 0.00 0.92 0.00 0.00 86 L 9.44 4.80 0.00 1.65 1.61 0.92 0.80 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 87 P 0.00 4.88 0.00 2.11 2.02 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 88 R 8.39 4.80 0.00 1.70 1.84 0.00 3.31 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 1.73 1.68 0.00 89 A 8.69 4.21 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 90 R 9.52 3.80 0.00 1.91 1.98 0.00 3.33 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 91 G 7.71 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 92 R 7.20 3.43 0.00 2.03 1.85 0.00 3.31 0.00 0.00 3.22 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 93 A 7.99 3.71 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 94 D 9.19 5.02 0.00 2.58 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 95 I 7.96 5.21 1.86 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 1.20 0.21 0.90 0.00 0.00 96 I 8.22 3.85 1.86 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 1.33 1.18 0.90 0.00 0.00 97 K 7.87 4.97 0.00 1.61 1.67 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.41 7.81 98 K 8.09 3.88 0.00 1.78 1.80 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.44 7.81 99 R 8.35 4.58 0.00 1.74 1.82 0.00 3.05 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 100 T 8.12 4.75 4.12 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 1.17 0.00 0.00 101 S 8.14 5.09 0.00 3.92 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 0.00 102 H 9.10 5.24 0.00 3.20 3.09 0.00 5.63 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.39 4.26 1.86 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.71 0.90 0.00 0.00 104 T 8.10 4.70 3.03 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 1.25 0.00 0.00 105 V 8.36 4.47 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 1.02 0.00 0.00 0.91 0.00 0.00 106 I 8.58 4.84 1.88 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 1.45 0.62 0.98 0.00 0.00 107 L 8.98 4.64 0.00 1.65 1.65 0.89 0.74 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 0.00 108 G 9.15 4.70 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 0.00 0.00 0.00 109 E 8.78 4.38 0.00 1.87 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 2.33 2.26 0.00 110 K 9.02 3.38 0.00 1.74 1.61 0.00 1.53 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.54 7.81 111 H 8.07 4.12 0.00 3.20 3.03 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 0.00 112 G 7.99 3.22 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 0.00 113 K 7.69 4.13 0.00 1.79 1.61 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.02 7.81