NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4148 8.3044 120.3285 54.5932 33.4513 174.5570 2 E 3.7438 8.4062 121.3279 55.2209 30.1216 174.8095 3 A 3.9843 9.4585 129.4102 52.8702 19.8320 176.8974 4 L 3.9961 8.6434 123.3874 57.9141 41.8438 179.0226 5 G 3.9967 9.3867 104.1327 44.6141 0.0000 172.4891 6 A 4.5142 7.2722 116.0846 50.8476 22.0986 176.7067 7 D 4.5755 8.8426 122.6740 53.8909 41.7687 176.4954 8 V 4.3781 8.3575 123.6766 62.0789 33.6883 176.0165 9 T 4.4146 8.1080 119.7637 60.8675 69.3983 172.4465 10 Q 3.8369 8.4423 123.0875 55.7751 28.7382 177.9460 11 G 3.9182 8.8273 110.0631 46.8689 0.0000 172.9388 12 L 4.8969 8.1750 120.7568 53.3916 45.0843 174.9559 13 E 5.1315 8.4879 117.8696 54.5012 34.7370 175.2026 14 K 4.0301 8.2360 122.7834 58.1834 32.3109 176.9453 15 G 4.0810 9.1367 115.2186 45.2405 0.0000 174.0258 16 S 4.2968 8.2468 116.7572 58.6823 64.1253 173.2072 17 L 5.1401 8.4238 123.6159 53.2947 43.0634 175.7202 18 I 4.7391 9.0935 117.0477 59.0463 41.8112 174.5951 19 T 4.4487 8.5382 118.9239 63.6536 69.7766 174.1417 20 C 5.2073 8.5952 125.9997 56.7521 31.2153 173.5616 21 A 4.5252 8.0887 129.6496 49.4911 15.6986 174.9245 22 D 5.1266 7.6738 119.9265 52.3155 40.9449 176.1388 23 N 5.0073 8.0384 114.1803 53.5066 37.9097 177.3832 24 T 3.8453 8.3022 111.4749 64.1195 69.4801 175.0870 25 G 3.9149 7.8625 109.4816 44.8816 0.0000 172.6209 26 A 4.8211 7.5865 122.7325 51.1012 20.5100 176.4352 27 R 4.4115 8.9426 122.2715 57.5015 32.1485 176.0425 28 E 5.0935 8.0471 119.0968 54.2124 32.6604 174.2445 29 L 5.1897 9.1910 126.0504 52.7424 45.6631 175.3132 30 K 4.8410 8.7344 123.7563 54.2562 34.7523 175.4586 31 V 3.8962 8.7630 129.0609 63.9566 31.9411 175.2990 32 I 4.2360 8.4843 127.3153 62.6334 38.9746 175.9762 33 S 4.7752 7.8353 115.5766 56.7554 68.1548 172.8643 34 V 4.5685 8.1908 121.0024 61.0563 33.6443 174.3925 35 H 4.1029 8.8752 128.1107 58.0861 30.0065 174.6877 36 G 3.9648 8.6315 112.8854 46.3856 0.0000 172.0768 37 Y 4.6428 7.7326 119.4467 55.6170 40.3965 175.4257 38 S 4.1353 7.1670 120.1561 56.9953 65.0716 173.4883 39 G 3.9262 8.0375 119.4160 44.5676 0.0000 171.7513 40 T 4.5314 8.0026 112.7800 59.2155 70.1132 174.2278 41 K 3.9583 8.3752 125.1982 58.3341 32.2719 176.7886 42 N 4.5193 8.9325 121.2889 53.3775 36.7409 174.2015 43 R 4.2675 7.6639 119.0934 55.5398 30.9238 175.3574 44 H 4.5238 8.7185 122.9496 54.4294 29.6434 173.0990 45 P 4.5378 0.0000 0.0000 63.5060 31.7685 175.2951 46 K 4.8010 8.0221 123.7590 55.5273 34.3034 175.7969 47 A 4.6856 8.6527 123.6409 50.4457 22.9239 175.1422 48 G 4.3238 9.0198 106.1465 44.3417 0.0000 171.6966 49 L 4.0386 8.7326 122.3537 56.9251 42.0945 177.1711 50 G 4.0510 9.0966 114.1680 45.5207 0.0000 172.2630 51 D 5.0783 7.7988 118.8060 52.1998 43.9022 175.2917 52 K 4.7161 8.5806 123.3138 55.4045 33.8346 175.3115 53 I 5.1213 8.8961 120.5686 59.3250 41.3900 175.0087 54 T 4.6937 8.7799 120.9932 63.8046 69.9785 174.0290 55 V 4.9502 8.4908 122.0652 60.9298 35.1980 172.5519 56 S 5.6698 8.6962 115.8435 55.6068 66.6267 173.2891 57 V 4.2244 8.1802 121.7990 62.9615 31.8069 176.3777 58 T 4.0030 8.9560 125.9713 66.0305 68.6542 175.2863 59 K 4.5605 9.2142 120.0805 54.2724 35.7929 176.9427 60 G 4.0360 8.2626 108.9974 45.3373 0.0000 172.4732 61 T 4.0996 7.7907 111.1343 60.7103 69.5954 173.5166 62 P 4.1943 0.0000 0.0000 66.3226 31.3637 178.4783 63 E 4.1132 8.0335 115.5872 59.5854 29.5972 178.7292 64 M 4.1988 7.7754 117.2808 56.9560 32.2411 177.2389 65 R 3.8738 7.4587 117.1940 57.6647 30.7054 176.9196 66 R 3.8901 8.3863 118.1259 56.8334 28.8580 176.3758 67 Q 4.2993 7.5957 118.3549 55.3597 30.3037 175.1650 68 V 4.4319 8.3163 123.6408 61.7228 32.4563 174.6859 69 L 4.9416 8.8543 127.3766 52.9667 46.6959 176.0204 70 E 4.8104 8.5986 119.4390 56.4358 31.5487 175.2358 71 A 4.6979 8.2734 120.7702 51.4395 23.5646 175.3162 72 V 4.4562 7.9503 119.1308 60.6964 34.4771 174.9645 73 V 3.7538 8.5626 128.4654 63.2931 31.5808 176.1735 74 V 3.8525 8.8627 128.9616 64.3470 33.1905 175.7807 75 R 4.1481 7.3672 117.1487 54.3256 34.8690 174.2433 76 Q 5.0216 7.8783 116.8707 55.3770 31.2300 175.7180 77 R 4.2577 9.1236 120.8353 58.6289 30.4228 177.7363 78 K 4.1892 7.8932 119.0313 55.5388 32.5923 175.3769 79 P 5.2782 0.0000 0.0000 62.4168 32.5270 175.5328 80 I 4.7821 8.1439 113.8328 59.2626 41.4053 173.8244 81 R 4.8612 9.2272 125.8582 55.2440 31.4451 176.0149 82 R 4.5922 8.7442 125.7328 54.5576 31.3117 175.6906 83 P 4.3909 0.0000 0.0000 65.8567 31.3468 176.7482 84 D 4.6503 8.2311 116.3568 52.8459 39.4027 176.9328 85 G 4.1611 8.3228 106.0477 47.2573 0.0000 173.7256 86 T 4.5655 7.1708 116.0508 61.8858 70.3734 174.6046 87 R 4.9221 8.4656 124.2769 55.6735 32.0982 176.0713 88 V 4.5215 8.4699 121.0442 61.1588 34.8517 174.3222 89 K 5.1316 8.5038 125.4623 55.2959 35.6560 175.1303 90 F 4.8643 8.7364 118.8587 55.3654 41.7724 176.6525 91 E 3.9864 9.0964 121.8626 59.2095 29.6016 175.5997 92 D 4.6110 7.6404 115.3904 53.1868 42.4059 173.8919 93 N 5.1180 8.5754 115.1619 51.7685 40.7378 174.3613 94 A 5.2828 8.6766 123.8034 50.6139 23.5714 174.5452 95 A 4.9585 9.0594 120.1610 50.3990 23.5661 175.3451 96 V 4.4766 8.1223 120.2624 60.7702 33.8081 175.3985 97 I 4.3000 8.0844 127.8314 61.7995 38.0952 175.3501 98 V 4.8730 8.2286 124.7392 61.5248 35.2956 175.1882 99 D 4.8417 8.2233 124.8613 52.0841 41.8309 176.2826 100 E 3.9290 8.8263 118.2636 59.4738 29.6807 178.0549 101 N 4.7724 8.3639 113.9022 52.5885 38.5881 174.6020 102 E 3.8275 7.9848 115.4602 57.4856 27.7795 173.7009 103 D 5.3498 8.2481 117.5796 50.7139 42.8442 174.4125 104 P 4.6493 0.0000 0.0000 63.2214 31.6226 176.4996 105 R 4.0305 8.5014 121.5317 59.0046 30.7231 177.2852 106 G 4.0803 7.6741 108.9886 45.2658 0.0000 172.7129 107 T 4.5876 8.9001 107.2754 60.8385 70.6772 173.8409 108 E 4.6773 8.1143 121.3744 54.4450 33.4150 174.4226 109 L 4.8515 8.6061 124.7004 53.7285 42.7607 176.4718 110 K 4.2788 8.2950 124.1999 56.2683 33.4555 177.6433 111 G 3.9608 8.8197 113.8221 43.6937 0.0000 171.1297 112 P 4.8692 0.0000 0.0000 62.9740 32.4555 175.6654 113 I 4.7871 8.4422 119.0430 59.4538 42.0814 174.7163 114 A 5.0151 8.1166 127.7336 51.5921 18.7018 179.1247 115 R 3.9554 9.0999 119.2701 59.5836 29.3135 179.4347 116 E 4.0269 8.1895 118.8530 59.1302 29.5083 179.1411 117 V 3.6975 7.8224 117.7682 65.8068 31.3440 177.8081 118 A 4.0218 7.9998 119.1127 55.3510 18.3260 178.8428 119 Q 4.0883 7.4362 114.1655 59.4222 28.9074 179.6291 120 R 3.8310 7.2073 116.4322 57.9590 31.2952 178.7668 121 F 4.8140 7.5619 122.1310 55.2437 37.8563 176.4170 122 G 3.7064 8.2345 110.1184 47.7392 0.0000 172.4160 123 S 4.2565 8.1197 116.2373 61.1189 62.7319 176.7282 124 V 3.5599 7.7830 120.3156 65.7133 31.6443 177.2183 125 A 4.2072 8.2895 121.0787 54.7996 19.3636 178.2577 126 S 4.6043 8.5265 112.3805 55.9030 60.8277 173.1153 127 A 4.6196 7.2194 132.8016 53.0285 21.2098 176.9659 128 A 4.2262 8.6396 120.8165 52.2160 19.0918 177.7684 129 T 4.0685 8.6938 120.5795 66.4062 69.3140 174.6573 130 M 4.8337 7.9059 120.0993 53.4074 35.3052 174.5070 131 I 4.8601 8.4531 123.3777 59.6205 40.3344 175.6331 132 V 4.0387 9.0513 127.1234 62.8784 31.5670 175.3772 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 8.30 4.41 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 2 E 8.41 3.74 0.00 1.94 1.76 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 2.24 2.33 0.00 3 A 9.46 3.98 1.25 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 0.00 0.00 4 L 8.64 4.00 0.00 1.66 1.76 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.39 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 6 A 7.27 4.51 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 7 D 8.84 4.58 0.00 2.66 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 8 V 8.36 4.38 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 0.81 0.00 0.00 1.00 0.00 0.00 9 T 8.11 4.41 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 1.22 0.00 0.00 10 Q 8.44 3.84 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.26 2.48 0.00 11 G 8.83 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 0.00 0.00 0.00 12 L 8.18 4.90 0.00 1.60 1.55 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.49 5.13 0.00 1.85 1.79 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 2.22 2.24 0.00 14 K 8.24 4.03 0.00 1.75 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.63 7.81 15 G 9.14 4.08 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 0.00 0.00 0.00 16 S 8.25 4.30 0.00 3.86 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 17 L 8.42 5.14 0.00 1.51 1.72 0.96 0.76 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 18 I 9.09 4.74 1.97 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 1.20 0.92 0.88 0.00 0.00 19 T 8.54 4.45 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 1.20 0.00 0.00 20 C 8.60 5.21 0.00 2.97 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 21 A 8.09 4.53 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 22 D 7.67 5.13 0.00 2.61 2.59 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 23 N 8.04 5.01 0.00 2.85 3.06 0.00 0.00 5.68 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 24 T 8.30 3.85 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 1.22 0.00 0.00 25 G 7.86 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 26 A 7.59 4.82 1.23 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 0.00 0.00 27 R 8.94 4.41 0.00 1.89 1.95 0.00 3.06 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 28 E 8.05 5.09 0.00 2.00 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 2.24 2.44 0.00 29 L 9.19 5.19 0.00 1.52 1.48 0.88 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.73 4.84 0.00 1.77 1.63 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.32 7.81 31 V 8.76 3.90 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 0.84 0.00 0.00 0.94 0.00 0.00 32 I 8.48 4.24 1.87 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 1.22 0.95 0.91 0.00 0.00 33 S 7.84 4.78 0.00 3.73 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.19 4.57 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 0.99 0.00 0.00 0.83 0.00 0.00 35 H 8.88 4.10 0.00 3.27 3.32 0.00 6.15 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 36 G 8.63 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.73 4.64 0.00 2.94 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 38 S 7.17 4.14 0.00 3.66 3.46 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 39 G 8.04 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 0.00 0.00 0.00 40 T 8.00 4.53 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 1.23 0.00 0.00 41 K 8.38 3.96 0.00 1.75 1.73 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.50 7.81 42 N 8.93 4.52 0.00 2.96 3.02 0.00 0.00 6.97 7.66 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 43 R 7.66 4.27 0.00 1.84 2.05 0.00 3.39 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 44 H 8.72 4.52 0.00 3.15 3.22 0.00 5.97 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 45 P 0.00 4.54 0.00 2.14 2.44 0.00 3.72 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 46 K 8.02 4.80 0.00 1.64 1.74 0.00 1.48 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.13 1.11 7.81 47 A 8.65 4.69 1.13 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 0.00 0.00 48 G 9.02 4.32 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 0.00 49 L 8.73 4.04 0.00 1.69 1.62 0.84 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.10 4.05 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 0.00 51 D 7.80 5.08 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.58 4.72 0.00 1.90 1.67 0.00 1.68 0.00 0.00 1.99 0.00 0.00 2.62 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.37 1.40 7.81 53 I 8.90 5.12 1.97 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 1.29 0.60 0.87 0.00 0.00 54 T 8.78 4.69 4.33 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 1.21 0.00 0.00 55 V 8.49 4.95 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 0.76 0.00 0.00 0.98 0.00 0.00 56 S 8.70 5.67 0.00 3.88 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 57 V 8.18 4.22 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 0.96 0.00 0.00 0.95 0.00 0.00 58 T 8.96 4.00 4.29 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 1.28 0.00 0.00 59 K 9.21 4.56 0.00 1.66 1.65 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.39 7.81 60 G 8.26 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 61 T 7.79 4.10 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 1.24 0.00 0.00 62 P 0.00 4.19 0.00 2.03 2.18 0.00 3.67 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 2.03 2.20 0.00 63 E 8.03 4.11 0.00 1.93 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 2.34 0.00 64 M 7.78 4.20 0.00 2.06 2.19 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 2.74 2.71 0.00 65 R 7.46 3.87 0.00 1.78 1.87 0.00 3.28 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 66 R 8.39 3.89 0.00 1.98 2.05 0.00 3.15 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 67 Q 7.60 4.30 0.00 2.11 2.00 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 2.35 2.40 0.00 68 V 8.32 4.43 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 0.79 0.00 0.00 0.93 0.00 0.00 69 L 8.85 4.94 0.00 1.54 1.46 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.60 4.81 0.00 2.05 1.80 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 2.37 2.30 0.00 71 A 8.27 4.70 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 72 V 7.95 4.46 1.67 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 0.39 0.00 0.00 -0.19 0.00 0.00 73 V 8.56 3.75 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 0.87 0.00 0.00 0.90 0.00 0.00 74 V 8.86 3.85 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 0.76 0.00 0.00 0.90 0.00 0.00 75 R 7.37 4.15 0.00 1.56 1.24 0.00 3.44 0.00 0.00 3.69 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.33 0.00 76 Q 7.88 5.02 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.62 0.00 77 R 9.12 4.26 0.00 1.85 2.07 0.00 3.14 0.00 0.00 3.02 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.56 0.00 78 K 7.89 4.19 0.00 1.76 1.81 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.55 7.81 79 P 0.00 5.28 0.00 1.99 1.99 0.00 3.74 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 80 I 8.14 4.78 2.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.79 0.97 0.00 0.00 81 R 9.23 4.86 0.00 1.87 1.85 0.00 3.09 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 82 R 8.74 4.59 0.00 1.93 1.83 0.00 3.22 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 83 P 0.00 4.39 0.00 2.03 2.16 0.00 3.67 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 2.04 2.12 0.00 84 D 8.23 4.65 0.00 2.82 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 85 G 8.32 4.16 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 0.00 0.00 0.00 86 T 7.17 4.57 4.31 0.00 0.00 0.00 0.00 0.00 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 87 R 8.47 4.92 0.00 1.68 1.85 0.00 3.32 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 88 V 8.47 4.52 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 0.80 0.00 0.00 0.91 0.00 0.00 89 K 8.50 5.13 0.00 1.93 1.73 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 1.39 7.81 90 F 8.74 4.86 0.00 3.28 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 91 E 9.10 3.99 0.00 1.96 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 2.32 2.28 0.00 92 D 7.64 4.61 0.00 2.68 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 93 N 8.58 5.12 0.00 2.63 2.72 0.00 0.00 6.46 7.27 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 94 A 8.68 5.28 1.13 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 0.00 0.00 95 A 9.06 4.96 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 96 V 8.12 4.48 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 0.90 0.00 0.00 0.87 0.00 0.00 97 I 8.08 4.30 1.83 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 1.07 0.40 0.90 0.00 0.00 98 V 8.23 4.87 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 0.70 0.00 0.00 0.84 0.00 0.00 99 D 8.22 4.84 0.00 2.96 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 0.00 100 E 8.83 3.93 0.00 1.95 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 2.30 2.35 0.00 101 N 8.36 4.77 0.00 2.87 2.82 0.00 0.00 7.06 7.04 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 0.00 102 E 7.98 3.83 0.00 2.27 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 0.00 2.31 2.33 0.00 103 D 8.25 5.35 0.00 2.69 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 0.00 104 P 0.00 4.65 0.00 2.15 2.05 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 105 R 8.50 4.03 0.00 1.79 1.97 0.00 3.23 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.67 4.08 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 0.00 0.00 0.00 107 T 8.90 4.59 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 0.00 108 E 8.11 4.68 0.00 1.88 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 2.28 2.30 0.00 109 L 8.61 4.85 0.00 1.52 1.59 0.96 0.93 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 0.00 110 K 8.30 4.28 0.00 1.59 1.73 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.38 7.81 111 G 8.82 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.87 0.00 2.29 2.16 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 113 I 8.44 4.79 1.91 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 1.13 0.61 0.92 0.00 0.00 114 A 8.12 5.02 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.10 3.96 0.00 2.07 2.26 0.00 2.80 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 116 E 8.19 4.03 0.00 2.12 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 2.43 2.44 0.00 117 V 7.82 3.70 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 1.15 0.00 0.00 0.99 0.00 0.00 118 A 8.00 4.02 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 0.00 119 Q 7.44 4.09 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 120 R 7.21 3.83 0.00 1.46 0.66 0.00 3.02 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 1.38 1.48 0.00 121 F 7.56 4.81 0.00 3.16 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 0.00 122 G 8.23 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.12 4.26 0.00 4.08 4.17 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 0.00 124 V 7.78 3.56 2.39 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 0.86 0.00 0.00 0.91 0.00 0.00 125 A 8.29 4.21 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 0.00 126 S 8.53 4.60 0.00 3.95 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 0.00 127 A 7.22 4.62 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 0.00 128 A 8.64 4.23 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.69 4.07 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 1.22 0.00 0.00 130 M 7.91 4.83 0.00 1.96 1.96 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 2.58 2.54 0.00 131 I 8.45 4.86 1.90 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 1.27 0.64 0.95 0.00 0.00 132 V 9.05 4.04 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 0.93 0.00 0.00 0.97 0.00 0.00