NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 T 4.2539 8.1749 110.9384 61.4383 70.0385 172.7892 20 K 4.1186 8.1575 119.9124 52.7627 34.0533 174.6991 21 T 3.8569 8.5155 115.4211 62.4239 69.3311 174.1566 22 Q 4.5590 8.4730 127.3302 55.3666 29.3579 176.1840 23 K 4.3612 7.8111 119.3137 55.9504 32.3080 177.9160 24 K 4.1830 8.6390 124.1750 58.0756 32.3660 178.4523 25 G 3.8185 7.8820 107.4752 46.9582 0.0000 175.1465 26 D 4.5424 7.8193 117.8383 54.3417 40.0871 173.3121 27 K 3.7430 7.9497 126.2672 56.1408 29.6839 176.5250 28 K 4.2683 8.0819 126.5251 55.2733 30.6797 176.4059 29 R 3.8220 7.0616 124.5193 56.0714 31.1290 174.2253 30 K 3.7288 7.8071 125.9273 56.4513 28.3707 174.2977 31 K 4.1373 7.9730 122.3073 54.8218 33.0562 176.4806 32 S 4.0782 8.7246 121.2962 58.4948 62.5681 173.7490 33 R 4.1316 8.4790 124.7057 55.7931 30.1675 175.7705 34 K 4.4563 8.3745 120.7050 54.9136 33.7309 176.0453 35 E 4.4223 8.3554 122.6064 55.7368 30.8672 175.1478 36 S 4.4533 7.9211 113.9472 58.0732 65.5305 173.3358 37 Y 4.9435 8.7245 118.8248 58.3010 38.0710 177.9697 38 S 4.2224 8.7220 119.5059 62.0278 62.9048 176.6742 39 I 3.6162 7.5738 114.7527 64.5129 37.0598 177.6223 40 Y 4.3654 7.3649 117.9446 60.5976 37.7637 178.2389 41 V 3.7231 8.6489 119.8475 66.1229 31.6442 177.4867 42 Y 3.8860 8.7230 119.6998 60.4730 38.5019 178.0284 43 K 4.0472 8.7215 119.9038 59.6962 32.3055 179.3928 44 V 3.6100 7.8854 118.3667 65.7780 31.3621 177.5782 45 L 3.8513 8.0378 120.1765 58.3367 41.6801 179.2795 46 K 3.9824 7.7685 116.6085 59.3268 31.9265 179.0482 47 Q 4.1375 7.5600 117.8501 58.6937 28.8231 178.2468 48 V 4.0230 7.5335 111.7909 62.6673 33.3119 176.7207 49 H 4.9418 8.6897 115.8735 53.1719 30.3797 171.6598 50 P 4.3393 0.0000 0.0000 65.0185 31.6153 176.9474 51 D 4.9971 7.9254 116.1969 54.3028 41.4445 175.8326 52 T 4.5456 7.8100 115.2573 61.7257 71.1769 174.4742 53 G 4.1384 8.2332 114.1629 44.3847 0.0000 172.1907 54 I 4.4176 7.7956 117.7874 58.5232 40.9448 175.4612 55 S 4.5195 8.5526 122.9507 57.7696 65.2388 175.4920 56 S 4.1377 8.4696 117.2367 61.5357 62.8073 176.4488 57 K 3.8846 8.1435 121.5325 59.3179 31.8547 178.9541 58 A 4.0461 8.0727 120.8454 55.2881 18.2646 179.3708 59 M 4.2177 8.3476 117.0582 58.4794 32.2559 178.7665 60 G 3.6345 8.2727 106.4165 47.6268 0.0000 175.8340 61 I 3.7752 7.7100 122.2293 64.6163 37.1271 178.4473 62 M 4.2075 8.1745 119.3449 58.3928 31.5930 178.6871 63 N 4.4565 8.1963 116.6812 56.5051 38.8054 177.1829 64 S 4.1694 8.1996 116.5087 61.8420 62.9302 176.6395 65 F 4.1482 8.5184 123.2032 61.5311 39.0684 177.3361 66 V 3.1025 8.0185 117.7967 65.8580 31.2141 177.6715 67 N 4.3358 8.4388 116.5927 56.2425 38.2912 176.8877 68 D 4.2719 8.4120 119.7037 57.5649 41.3951 178.3423 69 I 3.5162 7.4651 120.4605 64.0493 36.9706 178.0567 70 F 3.8309 8.2679 121.6791 61.4912 39.1752 177.0490 71 E 4.1098 8.5616 118.0223 59.5687 29.3421 179.6333 72 R 3.9044 8.2647 118.3244 59.2112 30.0034 179.2890 73 I 3.6242 7.8420 119.3597 64.0802 37.1584 178.1444 74 A 3.8356 8.0428 122.1212 55.0711 18.1699 179.7008 75 G 3.5920 8.2295 104.5137 48.1803 0.0000 175.4706 76 E 3.9108 8.0894 121.5341 58.6768 29.5316 178.7153 77 A 3.8957 8.0791 121.2127 54.9202 18.4125 179.3432 78 S 3.8818 8.5469 111.9801 61.6574 62.4481 176.5388 79 R 3.5459 7.7132 120.4091 59.1488 29.6717 178.8239 80 L 3.8121 7.9210 118.6986 58.0107 41.6767 179.6902 81 A 3.9603 8.0923 120.5955 55.2053 18.1698 179.4707 82 H 4.1405 8.0622 114.8466 59.3538 28.5862 177.5164 83 Y 4.4781 7.8247 117.6304 60.7316 37.6468 177.6106 84 N 4.8557 7.6707 115.1482 51.7326 39.2209 174.8582 85 K 3.8887 7.9802 118.1730 57.5440 30.5061 175.1576 86 R 4.6589 8.2046 115.7586 54.8691 32.0862 176.9702 87 S 4.4589 8.4784 115.7411 59.2481 63.9088 174.3939 88 T 4.5162 7.6044 113.3731 59.9297 69.4863 173.0768 89 I 4.2100 8.1676 128.1865 60.5071 37.9805 176.1010 90 T 4.5455 9.6571 117.9060 59.6532 72.3474 175.4008 91 S 4.1424 8.3938 115.1537 61.0543 62.6898 176.4028 92 R 3.8220 7.8603 122.8152 59.5528 29.8864 178.2074 93 E 3.9205 8.0877 117.7668 59.5468 29.4496 179.2103 94 I 3.6960 7.5813 119.3333 64.2452 37.0815 178.3297 95 Q 3.8804 8.1867 120.4813 59.6139 28.9339 178.3279 96 T 3.8449 8.0543 116.5948 66.4188 68.3584 176.3098 97 A 3.9319 8.4631 123.0118 55.3324 18.3325 179.7135 98 V 3.4932 7.8017 116.6278 66.4226 31.3039 178.4878 99 R 3.9190 7.8228 116.6211 59.1598 29.9311 178.7534 100 L 4.1522 7.9857 118.3628 57.4632 41.6727 179.0698 101 L 4.1949 7.9537 118.2880 56.2130 42.2218 177.5397 102 L 4.5262 7.2921 117.1808 52.9349 43.1366 175.5426 103 P 4.5872 0.0000 0.0000 63.6403 33.3707 178.2067 104 G 3.6053 8.0803 102.6605 47.2661 0.0000 176.4668 105 E 4.0375 8.0634 120.0229 58.3291 29.9424 179.2947 106 L 4.0214 8.0515 118.5039 57.7493 41.5850 179.3323 107 A 3.9351 8.2038 120.5814 54.9820 18.3258 179.2159 108 K 3.8221 7.8801 118.1474 60.2994 32.1147 178.5504 109 H 4.1785 8.2881 115.8073 58.8614 28.5783 177.7391 110 A 3.8307 8.4761 123.0342 55.0337 18.0829 179.8529 111 V 3.4975 8.5931 117.4847 66.1029 31.6389 178.2160 112 S 4.0543 8.3895 113.1744 61.5258 62.3173 175.8346 113 E 4.0905 9.0035 122.3440 59.4457 29.2866 179.7442 114 G 3.5637 8.4176 106.0078 48.1418 0.0000 175.7582 115 T 3.9705 8.2443 115.8916 64.2179 67.2076 176.4138 116 K 3.9086 8.1520 121.8011 59.5015 32.2374 178.7072 117 A 4.0297 8.1076 121.0326 55.0546 18.1961 179.8226 118 V 3.6088 7.8026 116.8189 66.2702 31.5076 178.4653 119 T 3.8669 8.2834 115.8753 66.4270 68.1686 176.2220 120 K 3.8022 8.0968 120.6816 59.9551 32.2201 177.3343 121 Y 4.3103 7.9413 117.9595 61.4436 38.7192 178.2121 122 T 3.9112 7.9874 114.8826 66.3461 68.9322 176.5665 123 S 4.5377 8.1577 117.0003 57.6495 64.4168 175.0412 124 S 4.6206 7.3435 107.9519 57.5588 63.6813 175.4659 125 K 4.0315 7.8143 123.4080 57.2948 31.9543 177.4525 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 19 T 8.17 4.25 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 1.21 0.00 0.00 20 K 8.16 4.12 0.00 1.75 1.74 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.54 7.81 21 T 8.52 3.86 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 1.21 0.00 0.00 22 Q 8.47 4.56 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.93 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 23 K 7.81 4.36 0.00 1.93 1.88 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.38 7.81 24 K 8.64 4.18 0.00 1.72 1.86 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 25 G 7.88 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.82 4.54 0.00 2.82 2.69 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 27 K 7.95 3.74 0.00 1.92 1.91 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.36 7.81 28 K 8.08 4.27 0.00 1.85 1.84 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.41 7.81 29 R 7.06 3.82 0.00 1.79 1.88 0.00 3.27 0.00 0.00 3.22 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 30 K 7.81 3.73 0.00 1.96 1.97 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.30 1.34 7.81 31 K 7.97 4.14 0.00 1.70 1.70 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.41 7.81 32 S 8.72 4.08 0.00 3.86 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 33 R 8.48 4.13 0.00 1.94 1.90 0.00 3.05 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 34 K 8.37 4.46 0.00 1.74 1.74 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.42 7.81 35 E 8.36 4.42 0.00 1.85 1.70 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 2.21 2.23 0.00 36 S 7.92 4.45 0.00 3.79 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 37 Y 8.72 4.94 0.00 3.15 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 38 S 8.72 4.22 0.00 3.82 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 39 I 7.57 3.62 1.54 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 -0.36 0.70 0.00 0.00 40 Y 7.36 4.37 0.00 3.35 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 41 V 8.65 3.72 2.35 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 1.14 0.00 0.00 1.14 0.00 0.00 42 Y 8.72 3.89 0.00 3.14 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 43 K 8.72 4.05 0.00 2.06 1.95 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.72 7.81 44 V 7.89 3.61 2.26 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 1.01 0.00 0.00 1.01 0.00 0.00 45 L 8.04 3.85 0.00 1.66 1.60 0.85 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.77 3.98 0.00 1.95 1.87 0.00 1.70 0.00 0.00 1.46 0.00 0.00 2.33 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.71 7.81 47 Q 7.56 4.14 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 48 V 7.53 4.02 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 0.72 0.00 0.00 0.83 0.00 0.00 49 H 8.69 4.94 0.00 3.03 3.09 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.34 0.00 2.03 2.14 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.30 0.00 51 D 7.93 5.00 0.00 2.64 2.65 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 52 T 7.81 4.55 4.28 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 1.14 0.00 0.00 53 G 8.23 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 0.00 0.00 0.00 54 I 7.80 4.42 1.85 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 1.51 0.71 1.01 0.00 0.00 55 S 8.55 4.52 0.00 4.10 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 56 S 8.47 4.14 0.00 4.09 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 0.00 57 K 8.14 3.88 0.00 1.83 1.93 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.53 7.81 58 A 8.07 4.05 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 59 M 8.35 4.22 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.67 0.00 60 G 8.27 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.71 3.78 2.06 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 1.55 0.72 0.93 0.00 0.00 62 M 8.17 4.21 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.95 0.00 63 N 8.20 4.46 0.00 3.12 2.96 0.00 0.00 6.89 7.59 0.00 0.00 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 S 8.20 4.17 0.00 4.19 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 65 F 8.52 4.15 0.00 3.15 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 66 V 8.02 3.10 1.74 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 -0.32 0.00 0.00 0.87 0.00 0.00 67 N 8.44 4.34 0.00 2.93 2.88 0.00 0.00 6.68 8.05 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 68 D 8.41 4.27 0.00 2.82 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 69 I 7.47 3.52 1.48 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.05 0.78 0.00 0.00 70 F 8.27 3.83 0.00 3.07 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 71 E 8.56 4.11 0.00 2.11 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 2.47 2.57 0.00 72 R 8.26 3.90 0.00 1.91 1.94 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.96 0.00 73 I 7.84 3.62 1.64 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.63 0.74 0.00 0.00 74 A 8.04 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.23 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.09 3.91 0.00 2.17 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 2.28 2.33 0.00 77 A 8.08 3.90 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 78 S 8.55 3.88 0.00 3.86 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 79 R 7.71 3.55 0.00 1.93 1.37 0.00 3.21 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 80 L 7.92 3.81 0.00 1.75 1.67 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.09 3.96 1.18 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 0.00 0.00 82 H 8.06 4.14 0.00 3.17 3.29 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.82 4.48 0.00 3.04 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 84 N 7.67 4.86 0.00 2.65 2.84 0.00 0.00 7.17 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 85 K 7.98 3.89 0.00 1.87 1.88 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.42 7.81 86 R 8.20 4.66 0.00 1.81 1.80 0.00 3.17 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 87 S 8.48 4.46 0.00 3.84 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 88 T 7.60 4.52 4.22 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 1.19 0.00 0.00 89 I 8.17 4.21 1.81 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 1.38 0.62 0.83 0.00 0.00 90 T 9.66 4.55 4.22 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 1.19 0.00 0.00 91 S 8.39 4.14 0.00 4.04 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 0.00 92 R 7.86 3.82 0.00 1.91 1.94 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 93 E 8.09 3.92 0.00 2.18 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 2.33 2.42 0.00 94 I 7.58 3.70 1.96 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.75 0.82 0.00 0.00 95 Q 8.19 3.88 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 96 T 8.05 3.84 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 1.22 0.00 0.00 97 A 8.46 3.93 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 98 V 7.80 3.49 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 1.10 0.00 0.00 0.93 0.00 0.00 99 R 7.82 3.92 0.00 1.95 1.97 0.00 3.21 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 100 L 7.99 4.15 0.00 1.76 1.73 0.99 1.14 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 0.00 101 L 7.95 4.19 0.00 1.63 1.70 0.91 1.17 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 0.00 102 L 7.29 4.53 0.00 1.63 1.60 0.99 1.39 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 0.00 103 P 0.00 4.59 0.00 2.17 1.97 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 104 G 8.08 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.06 4.04 0.00 2.03 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 0.00 2.41 2.37 0.00 106 L 8.05 4.02 0.00 1.89 1.76 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.20 3.94 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 0.00 108 K 7.88 3.82 0.00 1.80 1.84 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.71 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.45 7.81 109 H 8.29 4.18 0.00 3.30 3.33 0.00 5.87 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 0.00 110 A 8.48 3.83 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 0.00 111 V 8.59 3.50 2.30 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 1.06 0.00 0.00 0.96 0.00 0.00 112 S 8.39 4.05 0.00 3.89 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 0.00 113 E 9.00 4.09 0.00 2.13 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 2.55 2.50 0.00 114 G 8.42 3.56 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 0.00 0.00 0.00 115 T 8.24 3.97 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 1.30 0.00 0.00 116 K 8.15 3.91 0.00 1.92 2.09 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.47 7.81 117 A 8.11 4.03 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 0.00 118 V 7.80 3.61 2.22 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 1.07 0.00 0.00 0.92 0.00 0.00 119 T 8.28 3.87 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 K 8.10 3.80 0.00 1.76 1.93 0.00 1.85 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.50 7.81 121 Y 7.94 4.31 0.00 3.06 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 0.00 122 T 7.99 3.91 4.28 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 1.21 0.00 0.00 123 S 8.16 4.54 0.00 3.83 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 0.00 124 S 7.34 4.62 0.00 3.87 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 K 7.81 4.03 0.00 1.70 1.68 0.00 1.53 0.00 0.00 1.56 0.00 0.00 2.69 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.28 7.81