NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8267 8.3544 109.7211 44.8865 0.0000 174.0297 4 D 4.1827 8.4575 123.3231 53.1580 42.6839 175.5755 5 K 3.9203 9.5475 128.6114 59.5349 32.5819 178.3577 6 K 4.0579 8.6515 118.7901 58.5983 32.1176 179.4084 7 V 3.6718 7.9605 118.3514 66.2021 31.5323 178.0082 8 I 3.8805 7.7676 119.4474 64.2606 36.7550 178.4995 9 Q 3.9542 7.8467 118.5167 59.2416 28.5377 178.4517 10 H 4.1235 8.4118 117.3677 58.8646 28.7469 177.6150 11 L 3.9944 8.4067 120.9918 58.2620 41.6762 179.5872 12 N 4.3754 8.3279 116.0133 55.9320 38.4496 177.5399 13 K 3.9426 8.2816 121.5986 59.5609 32.3176 178.9988 14 I 3.7260 8.4332 120.4948 64.3068 37.0135 178.0019 15 L 4.0427 8.7112 121.7004 58.3270 41.6649 179.3891 16 G 3.6044 7.9552 105.2052 47.5514 0.0000 175.6513 17 N 4.3731 7.9737 118.3607 56.1719 38.2005 177.2788 18 E 3.9811 8.3475 120.0792 59.5506 29.7208 179.5192 19 L 4.0699 8.0980 118.8530 57.5365 41.5237 179.7901 20 I 3.7042 7.5077 119.9490 64.2415 37.1262 178.0772 21 A 3.2278 7.8456 121.5646 54.9503 17.9744 179.4848 22 I 3.5936 7.6346 118.0573 64.9029 37.2625 178.4667 23 N 4.3375 7.6810 115.9924 56.1430 38.4190 177.3151 24 Q 3.8369 8.2488 121.3796 59.6554 29.1818 178.2454 25 Y 4.5770 8.2308 117.9250 60.9594 37.8449 178.0646 26 F 4.0396 8.7110 122.2616 60.8910 39.5064 177.1378 27 L 3.9826 8.1892 120.1316 58.4700 41.9223 178.4566 28 H 3.7922 8.1090 116.1648 58.9211 28.6094 177.3727 29 S 4.3609 8.2118 114.7242 61.8307 62.1536 176.3994 30 R 4.0475 7.5985 119.3630 58.4374 29.8756 178.9405 31 M 3.4935 7.6137 119.0196 57.8550 31.8342 178.6476 32 W 4.4048 8.0416 119.4585 59.8379 29.1591 178.2967 33 N 4.3647 8.2138 116.4594 56.4799 37.7896 176.9259 34 D 4.3577 7.8546 118.0995 57.0387 41.4024 177.6451 35 W 4.8060 8.0907 116.7869 56.9919 29.3074 177.1060 36 G 4.0100 8.5225 108.3830 46.0361 0.0000 174.1498 37 L 4.7507 7.8067 122.4042 53.4007 40.3255 177.5103 38 K 4.1001 8.7069 122.5291 58.8996 32.4057 178.9046 39 R 3.8680 8.0873 119.3265 59.2945 29.9487 178.4481 40 L 3.7571 7.7877 118.4504 57.5255 41.4424 179.2024 41 G 3.9687 7.9695 105.3843 48.2415 0.0000 175.4912 42 A 4.0188 8.1271 123.7332 54.6630 18.5184 179.1728 43 H 3.9402 8.1704 116.7172 59.4136 29.9879 177.0341 44 E 3.9704 8.5460 121.4337 59.4979 29.4825 177.8062 45 Y 4.0315 8.4346 119.9358 61.4545 38.6926 178.2162 46 H 4.1701 8.1721 116.5955 58.4070 28.8706 177.6535 47 E 3.8384 7.9639 120.3757 59.2588 29.2606 179.1229 48 S 4.2759 8.1749 113.0382 61.6845 62.4449 176.1683 49 I 3.6119 7.4118 122.3105 64.6449 36.8968 178.1258 50 D 4.3140 8.1668 119.5139 57.3066 40.5038 178.6078 51 E 4.3124 7.9507 119.7952 58.4177 29.7343 178.7651 52 M 4.0087 8.1285 118.9210 58.2851 32.0365 178.8736 53 K 4.0331 7.7218 118.3041 59.4431 32.3574 178.9438 54 H 4.2445 7.8694 115.8394 58.8173 28.5365 177.5520 55 A 3.9948 8.2131 122.5554 55.3444 18.1974 179.0954 56 D 4.2652 7.9319 115.9694 57.5942 41.3722 178.7343 57 K 4.0569 7.9628 118.6626 59.1896 32.0535 179.4442 58 L 4.0256 8.1072 119.3934 57.8088 41.5928 179.4691 59 I 3.7006 8.0008 119.9352 64.6148 37.0995 178.2745 60 E 4.0182 8.5586 119.6733 59.3890 29.2410 179.5484 61 R 4.0741 7.9009 118.2510 59.2974 30.2623 178.2531 62 I 3.6713 8.2805 119.9446 64.6624 37.1382 178.1276 63 L 3.9984 8.0362 119.4299 58.0876 41.2722 179.5926 64 F 4.3168 8.0385 119.3358 61.0383 39.4211 176.3240 65 L 3.8431 8.1188 115.9588 54.1312 41.6080 176.4010 66 E 3.6381 8.1069 117.6342 57.6485 26.9558 174.2701 67 G 4.0310 7.8303 108.3346 43.8251 0.0000 173.3638 68 L 4.5549 8.0533 119.0975 51.9122 42.5953 175.0072 69 P 4.2404 0.0000 0.0000 63.0014 31.6405 176.0604 70 N 4.6489 9.2958 122.5968 52.5376 38.1438 173.9124 71 L 4.6120 8.2529 123.7853 54.4647 42.3456 177.4880 72 Q 4.0505 8.1646 122.0248 57.7720 29.3342 175.4403 73 D 4.5434 8.1315 117.8687 52.8596 40.8136 175.4225 74 L 4.5269 8.2565 127.3190 52.8257 43.3516 177.4277 75 G 3.8135 8.3704 119.0622 45.2330 0.0000 171.9820 76 K 4.1852 8.4184 124.9113 54.6889 32.3753 177.2602 77 L 4.0601 8.3280 127.5414 54.5698 41.3041 177.8350 78 L 4.2847 8.0929 125.8266 54.0824 39.9352 175.3679 79 I 4.2470 7.9045 123.0631 59.9112 38.1674 176.6775 80 G 3.9493 8.6241 114.4102 45.2873 0.0000 172.8343 81 E 4.7073 9.2066 117.6821 56.0056 31.1564 176.1063 82 N 5.0925 7.6816 115.8530 50.4881 41.8938 175.1676 83 T 4.3920 8.6070 116.5226 67.2264 68.7103 176.6316 84 Q 4.0332 8.2623 120.7661 59.0804 28.9716 178.0333 85 E 4.0354 8.5356 119.8559 59.4548 29.5289 178.9042 86 M 3.8778 8.2352 118.8128 58.4802 31.9786 178.8974 87 L 4.1614 8.2122 119.0175 57.8985 41.7643 179.4028 88 Q 4.0196 8.0347 119.2026 59.2222 28.9934 177.9760 89 C 4.2130 9.0355 119.0170 62.9031 28.2114 175.6767 90 D 4.7552 8.5293 120.6727 57.4327 40.3601 178.7238 91 L 3.9767 8.0329 120.7180 58.2844 42.2734 178.7044 92 N 4.3293 8.3886 116.5281 56.1347 38.4220 177.0335 93 L 3.9804 8.1058 121.6169 58.4863 42.1834 179.0877 94 E 4.2025 8.4002 118.2036 59.2659 29.3839 179.3552 95 L 4.0347 8.3081 119.5151 57.3016 41.5342 179.2913 96 K 4.0236 7.9860 119.3544 59.0451 32.1440 178.8005 97 A 3.9593 8.3835 121.5187 55.6785 18.4099 179.4408 98 T 3.8501 8.1818 114.5594 66.8886 68.4801 176.6561 99 K 3.9110 7.6855 120.3727 59.7271 32.3919 178.6888 100 D 4.4105 7.8969 118.8897 57.2388 40.5936 178.6645 101 L 3.9291 7.9762 119.4663 57.9879 41.7341 179.4246 102 R 3.9238 7.8958 117.7244 59.7341 30.2310 178.9478 103 E 3.9354 8.2201 117.6278 59.3713 29.4681 179.1975 104 A 3.5648 8.4821 121.1271 55.1266 18.3787 179.8290 105 I 3.6565 7.9938 118.5118 64.4092 37.1814 178.6697 106 V 3.5938 7.7107 119.1185 66.3265 31.3016 177.6304 107 H 4.0798 7.9865 117.4600 59.3666 29.7373 176.9908 108 C 4.0018 8.1627 118.6300 62.8067 27.4638 175.6014 109 E 3.9412 8.1651 120.8159 59.3795 28.9391 178.5457 110 Q 4.1062 7.6060 117.8245 57.8230 29.2168 177.1790 111 V 3.9801 7.1873 111.0058 60.3733 31.9323 175.3204 112 H 2.9590 7.1150 113.2225 57.0760 26.6815 176.2337 113 D 4.5213 7.7578 120.7285 53.2299 38.4812 175.3549 114 Y 4.2769 7.4837 121.6742 60.4624 38.3845 177.8428 115 V 3.6707 7.8633 118.9905 66.0896 31.7954 178.1285 116 S 4.1821 8.1989 114.8656 61.3569 62.6326 176.5019 117 R 3.8893 7.9984 121.5252 59.5724 29.8615 178.0402 118 D 4.3237 8.1043 117.6517 57.1924 41.2477 177.5324 119 L 3.9001 7.9366 120.7872 58.3973 42.0017 178.8652 120 L 4.0246 8.1425 120.8281 58.5920 41.6190 180.1516 121 K 3.8813 8.5160 123.7506 60.2382 31.3267 180.5293 122 D 4.5321 8.1115 119.4677 57.3466 40.7696 178.8343 123 I 3.5052 7.7637 120.2909 64.1954 37.0041 178.0291 124 L 3.9312 8.5141 121.4354 58.4049 41.8995 178.7841 125 E 3.9216 8.4199 119.0981 59.2234 29.6202 178.6428 126 S 4.2378 7.8483 113.3699 61.0003 62.3698 175.9927 127 E 4.1263 8.4504 121.6630 59.3263 29.1712 178.9439 128 E 4.0137 8.5161 118.8984 59.4388 29.5178 179.1034 129 E 4.0121 8.2309 118.6236 59.9358 29.5960 179.0361 130 H 4.4427 8.2227 117.7828 59.0893 29.7943 177.5082 131 I 3.6636 8.2316 122.2492 64.3171 37.0189 177.4714 132 D 4.3657 8.3822 119.3014 57.7179 40.9462 177.6884 133 Y 4.1657 8.1068 119.5837 60.8693 38.6927 178.2373 134 L 3.6604 7.7854 119.3442 57.8062 41.8281 179.0912 135 E 3.8787 8.3746 118.7392 59.9862 29.3795 179.7549 136 T 3.8111 7.8589 115.2965 66.6470 68.5126 176.6976 137 Q 3.8220 7.7811 119.7396 58.8286 28.2979 178.4936 138 L 3.8573 7.8141 120.2298 58.0597 41.6136 179.9036 139 G 3.6708 8.4449 105.4876 47.9175 0.0000 175.6259 140 L 4.0295 8.0396 121.4293 57.5258 41.6303 179.4267 141 I 3.5592 7.4518 119.7497 64.6008 36.8128 178.2665 142 Q 3.9731 7.3777 116.7294 59.1083 28.6076 178.9983 143 K 4.2141 7.6252 117.9981 58.1547 32.3897 178.6962 144 V 4.3252 8.1400 109.5051 59.4249 33.4756 175.5773 145 G 4.0573 8.0890 108.9467 45.8723 0.0000 173.9201 146 L 3.9486 8.7651 125.0656 58.4897 41.9797 179.5787 147 E 4.0087 8.1740 116.4714 59.1848 29.6062 178.7090 148 N 4.2901 8.1069 117.1813 56.3286 38.5609 176.1132 149 Y 4.0699 8.0014 119.7343 61.0261 39.0528 178.1084 150 L 4.1403 8.3163 119.6585 57.7208 41.7295 179.0319 151 Q 3.9155 8.0793 119.4928 59.5760 28.7829 178.8771 152 S 4.2291 7.8562 113.2714 60.3815 62.9571 174.6199 153 H 4.7085 7.8981 118.8772 55.6848 29.5689 176.0074 154 M 4.1686 8.1184 121.4312 57.8624 31.8541 176.3725 155 H 5.2294 7.7006 112.8658 54.1254 31.5339 174.4868 156 E 4.2426 8.5565 119.2550 56.6615 29.5605 176.2895 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 3 G 8.35 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.46 4.18 0.00 2.86 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 5 K 9.55 3.92 0.00 1.84 1.78 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.52 7.81 6 K 8.65 4.06 0.00 2.00 1.62 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.42 7.81 7 V 7.96 3.67 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 1.01 0.00 0.00 1.03 0.00 0.00 8 I 7.77 3.88 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.58 0.90 0.00 0.00 9 Q 7.85 3.95 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 10 H 8.41 4.12 0.00 3.35 3.32 0.00 5.64 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 11 L 8.41 3.99 0.00 1.78 1.75 0.95 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 12 N 8.33 4.38 0.00 2.98 2.86 0.00 0.00 6.74 6.50 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 13 K 8.28 3.94 0.00 1.88 1.95 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 8.43 3.73 1.99 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 1.69 0.71 0.92 0.00 0.00 15 L 8.71 4.04 0.00 1.76 1.93 0.92 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.96 3.60 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 0.00 0.00 0.00 17 N 7.97 4.37 0.00 2.94 2.88 0.00 0.00 6.94 7.51 0.00 0.00 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 E 8.35 3.98 0.00 2.15 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 2.53 2.55 0.00 19 L 8.10 4.07 0.00 1.81 1.68 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.51 3.70 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.72 0.87 0.00 0.00 21 A 7.85 3.23 1.07 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 0.00 0.00 22 I 7.63 3.59 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.85 0.87 0.00 0.00 23 N 7.68 4.34 0.00 2.86 2.82 0.00 0.00 6.76 7.46 0.00 0.00 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 Q 8.25 3.84 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.25 0.00 25 Y 8.23 4.58 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.71 4.04 0.00 3.29 3.06 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 0.00 27 L 8.19 3.98 0.00 1.91 1.78 0.88 0.90 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 28 H 8.11 3.79 0.00 3.25 2.75 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 29 S 8.21 4.36 0.00 4.06 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 30 R 7.60 4.05 0.00 1.85 1.88 0.00 3.00 0.00 0.00 2.73 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 31 M 7.61 3.49 0.00 0.75 1.39 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.21 0.00 32 W 8.04 4.40 0.00 3.70 3.30 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 33 N 8.21 4.36 0.00 2.89 2.85 0.00 0.00 6.67 8.15 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 34 D 7.85 4.36 0.00 2.62 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 35 W 8.09 4.81 0.00 3.72 3.17 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 36 G 8.52 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 37 L 7.81 4.75 0.00 2.16 1.66 1.36 0.80 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 38 K 8.71 4.10 0.00 2.04 1.86 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 39 R 8.09 3.87 0.00 2.04 1.91 0.00 3.25 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 40 L 7.79 3.76 0.00 1.04 0.13 0.48 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 41 G 7.97 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 0.00 0.00 0.00 42 A 8.13 4.02 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 43 H 8.17 3.94 0.00 3.34 3.33 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.55 3.97 0.00 2.57 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 0.00 2.80 2.76 0.00 45 Y 8.43 4.03 0.00 2.98 2.99 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 0.00 0.00 0.00 46 H 8.17 4.17 0.00 3.34 3.24 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.96 3.84 0.00 2.04 1.66 0.00 0.00 0.00 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 2.09 0.00 48 S 8.17 4.28 0.00 4.09 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 49 I 7.41 3.61 1.85 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.93 0.85 0.00 0.00 50 D 8.17 4.31 0.00 2.84 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 51 E 7.95 4.31 0.00 2.17 2.13 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 2.65 2.58 0.00 52 M 8.13 4.01 0.00 2.03 2.24 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.55 0.00 53 K 7.72 4.03 0.00 1.80 1.81 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.65 7.81 54 H 7.87 4.24 0.00 3.49 3.36 0.00 5.64 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 55 A 8.21 3.99 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 56 D 7.93 4.27 0.00 2.83 2.86 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 57 K 7.96 4.06 0.00 2.07 1.86 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.63 7.81 58 L 8.11 4.03 0.00 1.89 1.73 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.00 3.70 2.02 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 1.53 1.04 0.92 0.00 0.00 60 E 8.56 4.02 0.00 2.19 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 2.35 2.40 0.00 61 R 7.90 4.07 0.00 2.11 2.13 0.00 3.37 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 62 I 8.28 3.67 1.89 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 1.54 0.86 0.91 0.00 0.00 63 L 8.04 4.00 0.00 2.09 1.79 0.97 0.85 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 64 F 8.04 4.32 0.00 3.00 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 0.00 65 L 8.12 3.84 0.00 1.70 1.58 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.11 3.64 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 2.17 2.15 0.00 67 G 7.83 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 0.00 0.00 0.00 0.00 68 L 8.05 4.55 0.00 1.60 1.60 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.24 0.00 2.03 2.01 0.00 3.66 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 70 N 9.30 4.65 0.00 2.62 2.86 0.00 0.00 7.11 7.44 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 71 L 8.25 4.61 0.00 1.62 1.62 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.16 4.05 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 73 D 8.13 4.54 0.00 2.69 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 74 L 8.26 4.53 0.00 1.54 1.54 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.37 3.81 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 0.00 76 K 8.42 4.19 0.00 1.69 1.74 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.50 7.81 77 L 8.33 4.06 0.00 1.63 1.60 0.87 1.03 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 78 L 8.09 4.28 0.00 1.64 1.68 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.90 4.25 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.76 0.93 0.00 0.00 80 G 8.62 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 81 E 9.21 4.71 0.00 1.96 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 2.29 2.24 0.00 82 N 7.68 5.09 0.00 2.88 2.83 0.00 0.00 6.25 7.22 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 83 T 8.61 4.39 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 84 Q 8.26 4.03 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 85 E 8.54 4.04 0.00 2.29 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 2.34 2.36 0.00 86 M 8.24 3.88 0.00 1.56 2.23 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 1.69 0.00 87 L 8.21 4.16 0.00 1.75 1.73 0.86 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.03 4.02 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 89 C 9.04 4.21 0.00 3.24 3.19 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 90 D 8.53 4.76 0.00 2.97 2.80 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 91 L 8.03 3.98 0.00 1.78 1.85 0.93 0.73 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 92 N 8.39 4.33 0.00 2.95 2.88 0.00 0.00 6.70 6.25 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 93 L 8.11 3.98 0.00 1.98 2.02 0.91 0.65 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 94 E 8.40 4.20 0.00 2.25 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 2.70 2.51 0.00 95 L 8.31 4.03 0.00 1.86 1.73 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.99 4.02 0.00 1.93 2.04 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.51 7.81 97 A 8.38 3.96 1.40 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 0.00 0.00 0.00 98 T 8.18 3.85 4.48 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 0.00 0.00 0.00 1.23 0.00 0.00 99 K 7.69 3.91 0.00 2.02 2.00 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.53 7.81 100 D 7.90 4.41 0.00 2.72 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 0.00 101 L 7.98 3.93 0.00 1.97 1.73 0.93 1.00 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 0.00 102 R 7.90 3.92 0.00 2.06 2.02 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.95 0.00 103 E 8.22 3.94 0.00 2.22 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 2.35 2.44 0.00 104 A 8.48 3.56 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 0.00 105 I 7.99 3.66 2.03 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 1.41 0.93 0.92 0.00 0.00 106 V 7.71 3.59 2.25 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 1.00 0.00 0.00 0.98 0.00 0.00 107 H 7.99 4.08 0.00 3.30 3.33 0.00 5.84 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 0.00 108 C 8.16 4.00 0.00 3.12 3.11 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 0.00 109 E 8.17 3.94 0.00 2.21 2.13 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 2.37 2.43 0.00 110 Q 7.61 4.11 0.00 2.04 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 111 V 7.19 3.98 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 0.74 0.00 0.00 0.85 0.00 0.00 112 H 7.12 2.96 0.00 3.19 3.21 0.00 5.66 0.00 0.00 0.00 0.00 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.76 4.52 0.00 2.57 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.48 4.28 0.00 3.10 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 0.00 115 V 7.86 3.67 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 1.10 0.00 0.00 1.00 0.00 0.00 116 S 8.20 4.18 0.00 4.02 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 0.00 117 R 8.00 3.89 0.00 1.93 2.20 0.00 3.23 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 1.67 1.68 0.00 118 D 8.10 4.32 0.00 3.06 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 0.00 119 L 7.94 3.90 0.00 1.96 1.85 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.14 4.02 0.00 1.92 1.71 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.52 3.88 0.00 1.70 1.85 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.38 7.81 122 D 8.11 4.53 0.00 2.94 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 0.00 123 I 7.76 3.51 1.96 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 1.18 0.55 0.82 0.00 0.00 124 L 8.51 3.93 0.00 1.80 1.90 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.42 3.92 0.00 2.08 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 2.33 2.33 0.00 126 S 7.85 4.24 0.00 3.94 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 0.00 127 E 8.45 4.13 0.00 2.07 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 0.00 2.60 2.53 0.00 128 E 8.52 4.01 0.00 2.03 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 2.36 2.48 0.00 129 E 8.23 4.01 0.00 2.26 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 0.00 2.37 2.36 0.00 130 H 8.22 4.44 0.00 3.29 3.49 0.00 5.61 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.23 3.66 2.08 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.69 0.95 0.00 0.00 132 D 8.38 4.37 0.00 2.92 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 0.00 133 Y 8.11 4.17 0.00 3.19 3.25 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 0.00 134 L 7.79 3.66 0.00 2.05 1.64 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.37 3.88 0.00 1.95 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 2.47 0.00 136 T 7.86 3.81 4.37 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 1.19 0.00 0.00 137 Q 7.78 3.82 0.00 1.71 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.73 0.00 0.00 0.00 0.00 0.00 1.35 1.94 0.00 138 L 7.81 3.86 0.00 1.89 1.64 0.82 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.44 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 0.00 140 L 8.04 4.03 0.00 1.91 1.90 1.06 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.45 3.56 1.78 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 -0.36 0.80 0.00 0.00 142 Q 7.38 3.97 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 143 K 7.63 4.21 0.00 1.83 1.86 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.69 7.81 144 V 8.14 4.33 2.12 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 0.80 0.00 0.00 1.13 0.00 0.00 145 G 8.09 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 0.00 0.00 0.00 0.00 146 L 8.77 3.95 0.00 1.76 1.72 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.17 4.01 0.00 2.21 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 2.36 2.34 0.00 148 N 8.11 4.29 0.00 3.15 2.93 0.00 0.00 6.77 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 0.00 149 Y 8.00 4.07 0.00 2.95 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 0.00 150 L 8.32 4.14 0.00 1.92 1.76 0.97 1.14 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 0.00 151 Q 8.08 3.92 0.00 2.29 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 152 S 7.86 4.23 0.00 3.76 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 0.00 153 H 7.90 4.71 0.00 2.95 3.15 0.00 5.81 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 0.00 154 M 8.12 4.17 0.00 1.85 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.44 0.00 155 H 7.70 5.23 0.00 3.08 3.15 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.56 4.24 0.00 1.93 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 2.27 0.00