NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.1508 8.0093 121.4269 61.6475 38.5776 175.4147 5 N 4.9503 8.5868 118.2842 49.8792 38.7593 172.4128 6 T 4.5890 8.4480 111.1432 60.6149 72.8985 176.5010 7 F 4.2563 8.4042 120.4903 61.1949 39.0493 177.7797 8 D 4.5366 8.3167 117.9324 57.2840 40.7502 179.0051 9 G 3.6302 8.1135 106.1647 47.8571 0.0000 176.0442 10 V 3.6768 8.1913 121.0236 65.3666 31.5491 177.7281 11 A 4.0751 8.2967 120.7399 55.5665 18.2819 179.3669 12 D 4.2589 8.1796 117.0779 57.6417 40.8579 178.3896 13 Y 4.0121 8.1561 119.9648 60.6904 38.7903 178.2485 14 L 3.7180 8.3171 120.2014 57.9416 41.5369 179.6023 15 Q 3.7373 7.6649 116.4122 58.4317 28.6345 178.4648 16 T 3.6268 7.2448 116.1501 65.6388 68.8480 175.8551 17 Y 4.1032 7.0013 114.7129 56.4101 39.3551 175.1311 18 H 2.6442 7.0752 116.3619 55.3409 26.8197 174.1135 19 K 4.5211 7.0657 113.9053 56.1883 34.8439 174.8183 20 L 4.2807 8.4412 120.0918 53.3405 42.4389 175.2516 21 P 3.8948 0.0000 0.0000 62.4352 31.6189 176.8273 22 D 4.3834 8.2932 117.9494 56.5414 41.3916 176.4505 23 N 4.4536 7.9521 115.0041 53.9712 37.8088 173.5758 24 Y 5.2321 7.5750 118.4293 56.8071 40.3293 174.7129 25 I 5.0135 8.5527 115.7351 59.3360 41.6468 174.9995 26 T 4.7383 9.2272 115.3039 60.5067 70.1820 175.4660 27 K 4.0509 9.2412 122.6020 59.7584 32.1150 178.5933 28 S 4.1678 8.1642 112.7954 61.5696 62.4090 175.8622 29 E 4.0050 8.2216 120.7761 59.2616 29.1546 179.1562 30 A 4.0171 8.5047 121.1456 55.4306 18.4200 179.5339 31 Q 4.3822 9.0084 118.0333 58.7288 28.6268 179.3323 32 A 4.0465 8.0541 120.2661 54.7249 18.4921 178.9484 33 L 4.3019 7.7848 115.7974 55.1731 41.8970 177.6491 34 G 4.2006 7.9400 108.2583 44.9932 0.0000 173.5363 35 W 4.5338 8.8002 131.2244 56.7436 31.2534 175.2806 36 V 3.8809 9.3902 125.6679 60.5420 32.3944 175.3963 37 A 3.5254 7.6067 131.2228 55.3091 18.1237 179.7196 38 S 4.3900 7.8369 109.5366 61.0160 62.9910 175.3667 39 K 4.2040 8.0165 118.1460 55.6850 32.6965 176.4391 40 G 3.0280 7.3867 107.4509 46.5989 0.0000 173.6270 41 N 5.1101 7.7417 110.9565 51.5432 38.5068 176.2756 42 L 3.9550 8.5066 122.3144 58.9336 41.7485 178.6865 43 A 4.2191 8.0302 117.5812 54.3014 18.3872 178.6364 44 D 4.4616 8.2247 118.0717 56.7472 40.8228 178.4108 45 V 4.1546 7.7529 109.9422 61.4730 33.7686 176.5481 46 A 4.6805 8.3207 121.8986 49.6639 19.8035 173.4066 47 P 4.3279 0.0000 0.0000 63.6518 32.2044 177.7840 48 G 3.8476 8.8389 110.4507 45.4111 0.0000 173.2008 49 K 4.6434 7.8263 118.8792 55.5429 34.1003 176.1221 50 S 4.5541 8.4006 116.2553 56.7217 67.8187 173.8946 51 I 4.2614 8.1199 123.4399 61.4359 38.2198 175.3938 52 G 4.2156 9.3015 111.4886 47.2661 0.0000 174.3857 53 G 4.4962 9.7413 110.9970 44.3813 0.0000 173.9188 54 D 4.7364 7.9114 119.5645 53.7698 42.4346 175.8340 55 I 4.2032 8.3658 122.3909 61.5375 37.9361 175.0754 56 F 4.7641 9.1592 129.5400 56.4830 40.3147 175.8935 57 S 4.0093 8.1488 122.4370 59.5026 63.2898 173.5575 58 N 4.1077 6.8018 117.4510 54.4751 36.9413 175.8987 59 R 3.9567 7.7238 116.2503 58.5340 30.5359 177.8055 60 E 4.1703 8.1221 115.1794 56.0923 29.9120 176.9857 61 G 3.9100 8.0286 106.9788 46.0392 0.0000 175.1501 62 K 4.1407 8.1170 120.2570 57.9114 32.5316 177.2703 63 L 3.8359 7.2971 118.0330 51.6698 42.8717 174.6843 64 P 4.2033 0.0000 0.0000 63.2524 31.6613 176.3488 65 G 4.2600 8.2050 111.3318 44.0595 0.0000 172.4193 66 K 4.2814 8.0987 116.5298 54.9858 34.8886 174.6383 67 S 4.1590 8.8052 121.5518 60.6058 63.0094 175.3228 68 G 3.8882 8.8593 112.3938 45.4228 0.0000 173.5769 69 R 3.8955 7.9544 120.7636 56.2287 30.8915 175.4395 70 T 4.5911 8.2410 120.8038 61.5211 71.7986 172.9222 71 W 4.9337 8.6600 125.3063 55.2665 31.7030 175.3515 72 R 5.2189 8.6082 121.7076 54.3069 34.3101 173.9127 73 E 5.4405 9.0894 118.0213 54.9245 33.6022 174.3738 74 A 4.9864 8.8654 120.4403 50.6216 23.0118 175.4163 75 D 5.0354 9.1630 121.4991 54.2588 42.0530 176.1354 76 I 4.4616 8.3661 122.7025 60.3324 40.3880 176.0581 77 N 4.2587 9.0257 122.0343 53.8992 36.8195 173.8632 78 Y 4.3020 7.4698 119.4968 57.6373 39.6024 175.0905 79 T 3.9441 7.1801 114.9235 62.3659 70.5306 173.7240 80 S 4.2293 6.4479 112.4865 58.2880 65.5990 175.2300 81 G 3.7916 8.5647 107.5793 44.5616 0.0000 173.2618 82 F 4.4064 8.6275 117.5513 57.2932 39.6164 175.3243 83 R 4.1819 8.6396 121.5725 56.3550 30.5712 177.1794 84 N 4.8856 8.4862 118.1589 52.4307 39.9051 174.4502 85 S 3.9604 8.4161 111.8703 59.7632 64.1443 173.7333 86 D 5.3709 8.2682 121.8435 53.6800 42.1129 175.8607 87 R 4.9191 9.2825 121.8312 54.5836 35.1679 173.7598 88 I 5.1789 9.3742 123.2993 59.6645 40.4385 174.0973 89 L 5.5827 9.2537 129.1703 53.1861 44.5642 175.1130 90 Y 5.7868 9.0283 121.5971 55.6956 41.8127 175.3718 91 S 4.0961 8.6716 118.7321 56.2278 64.7098 175.1616 92 S 3.5490 7.9297 113.7645 60.1063 62.8953 174.5765 93 N 4.4463 7.3313 116.9008 51.8655 37.1763 174.3784 94 W 3.8034 6.8756 115.9930 58.3549 27.1328 174.5990 95 L 4.3972 7.8186 118.1674 54.7846 41.9490 176.3009 96 I 5.5473 8.4751 122.2893 60.0655 40.8404 174.0539 97 Y 5.2925 9.8272 124.2267 55.9749 42.2381 174.4245 98 K 5.3609 9.4202 119.1251 55.8360 36.6998 175.0621 99 T 4.8142 8.9200 114.8113 60.5414 70.9778 173.9893 100 T 5.0643 8.6596 116.0986 60.2289 69.8663 173.6562 101 D 4.6042 7.5010 120.7727 54.0406 40.0322 174.6725 102 H 3.4245 8.4244 112.0788 58.5944 26.4424 174.8117 103 Y 3.0770 6.9287 109.0543 59.0316 36.0478 172.0081 104 Q 4.1956 7.6510 119.8713 58.1295 29.2306 176.4319 105 T 4.7416 7.9468 105.6059 59.7712 71.7375 173.3943 106 F 5.3265 8.7209 120.2554 56.2606 43.3502 174.3689 107 T 4.7639 9.1416 117.5797 61.4156 72.4187 173.4174 108 K 3.2126 8.6712 128.1928 56.1941 32.1594 176.3457 109 I 4.4361 8.5176 119.4051 60.5198 39.4813 175.7347 110 R 4.1830 7.6530 124.2016 56.4603 31.0567 174.5897 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 4 I 8.01 4.15 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.90 0.92 0.00 0.00 5 N 8.59 4.95 0.00 2.82 2.80 0.00 0.00 6.42 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 6 T 8.45 4.59 4.27 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 1.20 0.00 0.00 7 F 8.40 4.26 0.00 3.13 3.10 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 0.00 0.00 0.00 0.00 8 D 8.32 4.54 0.00 2.76 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 9 G 8.11 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 10 V 8.19 3.68 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 1.01 0.00 0.00 1.11 0.00 0.00 11 A 8.30 4.08 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.18 4.26 0.00 2.77 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 Y 8.16 4.01 0.00 3.22 3.10 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 0.00 0.00 0.00 0.00 14 L 8.32 3.72 0.00 1.84 1.60 0.55 0.25 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 15 Q 7.66 3.74 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.92 0.00 0.00 0.00 0.00 0.00 2.51 2.61 0.00 16 T 7.24 3.63 3.28 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 0.13 0.00 0.00 17 Y 7.00 4.10 0.00 2.17 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 18 H 7.08 2.64 0.00 3.19 3.27 0.00 5.71 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 19 K 7.07 4.52 0.00 1.93 1.82 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.65 7.81 20 L 8.44 4.28 0.00 1.72 1.63 0.83 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.89 0.00 2.30 1.47 0.00 3.71 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 1.63 0.00 22 D 8.29 4.38 0.00 2.60 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 23 N 7.95 4.45 0.00 2.76 2.84 0.00 0.00 6.20 7.57 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 24 Y 7.58 5.23 0.00 3.07 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 25 I 8.55 5.01 1.88 0.00 0.00 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 1.35 0.62 0.91 0.00 0.00 26 T 9.23 4.74 4.52 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 0.00 0.00 0.00 1.28 0.00 0.00 27 K 9.24 4.05 0.00 2.06 2.01 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.74 2.12 7.81 28 S 8.16 4.17 0.00 3.99 3.91 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 29 E 8.22 4.00 0.00 2.24 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 2.37 2.38 0.00 30 A 8.50 4.02 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 31 Q 9.01 4.38 0.00 2.43 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.67 0.00 32 A 8.05 4.05 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.78 4.30 0.00 1.91 1.77 0.93 0.77 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 34 G 7.94 4.20 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 0.00 35 W 8.80 4.53 0.00 3.34 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 36 V 9.39 3.88 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 0.81 0.00 0.00 0.87 0.00 0.00 37 A 7.61 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.84 4.39 0.00 3.85 3.98 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 39 K 8.02 4.20 0.00 1.69 1.82 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.33 7.81 40 G 7.39 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 0.00 0.00 0.00 0.00 41 N 7.74 5.11 0.00 2.98 3.00 0.00 0.00 6.35 6.67 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 42 L 8.51 3.96 0.00 1.23 1.64 0.35 0.45 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 43 A 8.03 4.22 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 44 D 8.22 4.46 0.00 2.90 2.73 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 45 V 7.75 4.15 2.34 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 0.87 0.00 0.00 1.13 0.00 0.00 46 A 8.32 4.68 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 47 P 0.00 4.33 0.00 2.02 2.01 0.00 3.73 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.23 0.00 48 G 8.84 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 0.00 0.00 0.00 49 K 7.83 4.64 0.00 1.66 1.63 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.71 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.50 7.81 50 S 8.40 4.55 0.00 3.35 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 51 I 8.12 4.26 2.02 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.32 0.89 0.00 0.00 52 G 9.30 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 0.00 0.00 0.00 0.00 53 G 9.74 4.50 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 54 D 7.91 4.74 0.00 2.72 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 55 I 8.37 4.20 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.74 0.90 0.00 0.00 56 F 9.16 4.76 0.00 2.88 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 57 S 8.15 4.01 0.00 3.52 3.72 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 58 N 6.80 4.11 0.00 2.87 2.78 0.00 0.00 7.25 7.65 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 59 R 7.72 3.96 0.00 1.69 1.90 0.00 3.14 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 60 E 8.12 4.17 0.00 2.01 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 2.29 2.29 0.00 61 G 8.03 3.91 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 0.00 0.00 0.00 62 K 8.12 4.14 0.00 2.04 2.10 0.00 2.08 0.00 0.00 1.95 0.00 0.00 2.91 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.52 1.56 7.81 63 L 7.30 3.84 0.00 0.57 0.13 -0.65 -0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.20 0.00 2.23 2.10 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 65 G 8.20 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 0.00 0.00 0.00 0.00 66 K 8.10 4.28 0.00 1.71 1.52 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.31 1.37 7.81 67 S 8.81 4.16 0.00 3.87 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.86 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 69 R 7.95 3.90 0.00 1.57 1.96 0.00 3.09 0.00 0.00 2.59 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.06 0.00 70 T 8.24 4.59 4.06 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 0.00 0.00 0.00 1.12 0.00 0.00 71 W 8.66 4.93 0.00 3.45 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 72 R 8.61 5.22 0.00 0.74 1.47 0.00 3.04 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.40 0.00 73 E 9.09 5.44 0.00 2.11 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 2.42 2.35 0.00 74 A 8.87 4.99 0.97 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 0.00 0.00 75 D 9.16 5.04 0.00 2.70 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.37 4.46 1.14 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 1.18 1.02 -0.12 0.00 0.00 77 N 9.03 4.26 0.00 2.78 2.89 0.00 0.00 6.95 7.00 0.00 0.00 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 Y 7.47 4.30 0.00 3.06 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 79 T 7.18 3.94 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 1.06 0.00 0.00 80 S 6.45 4.23 0.00 3.86 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 81 G 8.56 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 0.00 0.00 0.00 82 F 8.63 4.41 0.00 3.16 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 83 R 8.64 4.18 0.00 1.95 1.90 0.00 3.13 0.00 0.00 3.53 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.51 0.00 84 N 8.49 4.89 0.00 2.86 2.99 0.00 0.00 6.09 7.64 0.00 0.00 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 S 8.42 3.96 0.00 3.80 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 86 D 8.27 5.37 0.00 2.89 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.28 4.92 0.00 1.73 1.97 0.00 3.61 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.23 0.00 88 I 9.37 5.18 2.14 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.90 1.06 0.00 0.00 89 L 9.25 5.58 0.00 1.55 1.38 0.40 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.03 5.79 0.00 3.18 3.23 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 0.00 91 S 8.67 4.10 0.00 2.95 2.63 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 92 S 7.93 3.55 0.00 3.67 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 93 N 7.33 4.45 0.00 2.73 2.72 0.00 0.00 6.09 8.88 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 94 W 6.88 3.80 0.00 3.56 3.42 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 95 L 7.82 4.40 0.00 1.78 1.97 1.03 0.75 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 96 I 8.48 5.55 2.02 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 1.69 1.30 1.17 0.00 0.00 97 Y 9.83 5.29 0.00 2.72 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 98 K 9.42 5.36 0.00 0.99 1.51 0.00 0.81 0.00 0.00 0.61 0.00 0.00 2.32 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.97 1.14 7.81 99 T 8.92 4.81 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 1.15 0.00 0.00 100 T 8.66 5.06 4.27 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 1.28 0.00 0.00 101 D 7.50 4.60 0.00 2.82 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 0.00 102 H 8.42 3.42 0.00 3.24 3.34 0.00 6.00 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 6.93 3.08 0.00 3.25 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 0.00 104 Q 7.65 4.20 0.00 2.45 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.66 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 105 T 7.95 4.74 4.20 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 1.21 0.00 0.00 106 F 8.72 5.33 0.00 2.88 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 0.00 107 T 9.14 4.76 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 1.16 0.00 0.00 108 K 8.67 3.21 0.00 1.07 1.44 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.16 0.89 7.81 109 I 8.52 4.44 1.83 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.88 0.82 0.00 0.00 110 R 7.65 4.18 0.00 1.82 1.83 0.00 3.42 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00