NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8265 8.3544 109.7215 44.8295 0.0000 173.7882 4 D 4.1026 8.6262 122.0364 53.9804 42.6470 176.2779 5 K 3.9991 9.4668 128.3682 59.3846 32.7405 178.7822 6 K 3.9648 8.3609 119.0838 58.8894 31.9370 179.3413 7 V 3.6123 7.9464 118.1670 66.3389 31.5077 177.8190 8 I 3.7838 7.5251 119.0082 64.6677 36.8952 178.5106 9 Q 3.9631 7.5748 117.9751 59.0915 28.5484 178.1011 10 H 4.1739 8.2171 117.3116 58.9717 28.7122 177.6356 11 L 4.0026 8.3241 120.8162 58.1606 41.4624 179.5800 12 N 4.3461 8.6564 116.2597 55.6781 38.3316 177.5718 13 K 3.9404 8.0300 121.5907 59.4916 32.2762 178.8866 14 I 3.7009 7.8853 120.1665 64.3769 37.0519 178.1779 15 L 4.0382 8.3942 121.5705 58.0567 41.9748 179.3068 16 G 3.6328 7.8628 105.6307 47.4931 0.0000 175.6677 17 N 4.4697 8.0914 118.8368 56.2546 38.5816 177.3858 18 E 4.0042 8.4691 120.2794 59.4305 29.2879 179.4198 19 L 4.0647 8.0196 118.9208 57.6399 41.5286 179.6458 20 I 3.6916 7.3396 118.5670 63.9897 37.1228 177.7929 21 A 3.2019 7.7217 121.5000 55.2834 18.1191 179.3387 22 I 3.6604 7.8827 118.2328 64.9734 37.1690 178.3969 23 N 4.3289 7.6716 115.3784 56.2141 38.3509 177.3074 24 Q 3.8004 8.2313 121.3075 59.5540 29.1850 178.1125 25 Y 4.6104 8.2685 118.0904 61.0782 37.8862 178.1020 26 F 3.9059 8.4907 121.8008 60.9234 39.2291 177.0455 27 L 3.9313 8.1431 119.4879 58.4600 42.1975 178.0620 28 H 3.8800 8.3092 116.5769 59.0117 28.6576 177.1196 29 S 4.2935 8.4525 114.8407 62.0875 62.1446 176.7651 30 R 3.9235 7.8371 119.8366 58.8618 29.6452 179.2175 31 M 3.4584 7.7768 119.2985 57.8862 31.8560 178.5775 32 W 4.4625 7.5714 118.4782 60.0522 29.1447 178.1738 33 N 4.4236 8.4344 116.3679 56.1792 37.6601 177.0155 34 D 4.3262 7.6240 118.8345 57.1482 41.5212 177.9017 35 W 4.7607 7.9774 116.3822 57.5409 29.1812 177.2134 36 G 4.0302 7.9642 107.7959 45.5060 0.0000 174.9005 37 L 4.5980 8.2489 122.5994 53.5787 40.1865 177.3414 38 K 4.1693 8.4744 120.7078 58.3660 32.6778 178.8110 39 R 3.9005 8.0705 119.7315 59.0750 29.8833 178.4232 40 L 3.9041 7.7564 118.6185 57.4207 41.5791 179.2289 41 G 3.8746 8.2778 105.5321 48.1696 0.0000 175.6172 42 A 4.0074 8.3296 123.8242 54.7116 18.3753 179.1770 43 H 4.1650 8.2334 116.6320 59.0286 29.8555 177.1961 44 E 3.9607 8.6233 121.7038 59.3815 29.5944 177.8799 45 Y 3.8649 8.2196 119.6799 61.2575 38.7281 178.0891 46 H 4.2063 8.0153 116.7535 58.5772 28.6625 177.5518 47 E 3.7815 7.8954 120.6272 59.2553 29.1351 178.9429 48 S 4.2409 8.1842 113.1600 61.8113 62.5579 176.1851 49 I 3.5705 7.4184 122.0381 64.6031 36.7272 178.0679 50 D 4.2896 8.0626 119.4197 57.5488 40.5705 178.8784 51 E 4.0439 8.0743 118.7073 59.5902 29.6039 179.0300 52 M 3.9789 8.2411 118.8780 58.5708 31.9969 178.9252 53 K 4.0823 7.8348 117.8856 59.3351 32.2526 179.1973 54 H 4.3286 7.8947 116.7286 58.5661 28.5698 177.5598 55 A 3.9422 8.2875 122.8224 55.3884 18.3405 178.8698 56 D 4.3465 7.9544 116.0584 57.8870 41.1681 179.0485 57 K 4.0589 7.9219 118.2033 59.1508 32.0001 179.5001 58 L 3.9698 7.9405 119.3738 58.0660 41.6392 178.9208 59 I 3.6374 8.0844 119.8661 64.8661 37.0884 177.7437 60 E 3.9733 8.2618 118.6218 59.8482 29.4792 179.9643 61 R 4.0028 8.0083 118.0658 59.5336 30.1744 178.0779 62 I 3.6932 8.1479 120.0112 64.6995 37.1133 177.8967 63 L 3.9577 7.9967 119.2691 58.2976 41.3843 179.7653 64 F 4.2812 8.1619 118.5841 60.7972 39.3894 176.1699 65 L 3.9159 7.6815 116.0932 54.0293 41.6247 176.6122 66 E 3.7203 7.9139 117.6578 57.2255 27.1823 174.7274 67 G 3.8539 7.9799 108.2043 44.4280 0.0000 174.1240 68 L 4.4873 7.9802 119.1405 51.9682 41.7735 175.1523 69 P 4.3235 0.0000 0.0000 62.7396 31.7350 176.0831 70 N 4.7624 9.1607 121.5057 52.2816 39.2090 173.7508 71 L 4.5513 8.2755 124.0590 54.5616 42.5327 177.8379 72 Q 3.9728 8.2953 121.3576 58.8748 29.1341 175.9830 73 D 4.4630 8.1490 118.9391 53.4523 40.7769 175.5061 74 L 4.4831 8.3063 127.2829 52.9285 43.2181 177.5432 75 G 3.7643 8.3675 117.7042 45.2617 0.0000 172.4528 76 K 4.2150 8.3783 124.5775 54.4919 31.6935 177.3057 77 L 3.8587 8.3850 126.7764 55.2839 41.8107 177.7865 78 L 4.4186 8.7829 125.0470 53.3503 40.7343 174.9680 79 I 4.3236 7.9879 123.8552 59.5348 38.3235 176.6617 80 G 4.0030 8.6470 114.7353 44.9654 0.0000 172.8441 81 E 4.7662 8.6558 115.2087 55.6798 30.5835 175.4304 82 N 5.1459 7.7226 116.9164 50.6812 41.9995 174.9774 83 T 4.5037 8.7027 116.8443 67.2110 68.5429 176.4131 84 Q 3.9796 8.2502 120.6934 59.2841 29.1383 178.1169 85 E 3.9918 8.7396 119.5490 59.6332 29.5472 178.9845 86 M 3.8851 8.4208 119.1120 58.6790 31.9090 178.9472 87 L 4.2237 8.3334 118.8580 57.8881 41.7798 179.4165 88 Q 4.0364 8.1923 119.6353 59.1183 28.9621 178.0045 89 C 4.2372 8.7749 118.3894 62.9682 28.2283 175.7605 90 D 4.7037 8.4020 120.4993 57.2838 40.3600 178.6389 91 L 4.0629 7.8044 121.0439 57.9425 42.1203 178.6731 92 N 4.3532 8.2602 116.5775 56.2996 38.5262 177.1306 93 L 4.0241 8.1421 121.6969 58.2701 42.1162 178.8745 94 E 4.1682 8.3499 118.5351 59.0173 29.1956 179.2950 95 L 3.9969 8.0423 119.4492 57.6596 41.7192 179.3453 96 K 3.9493 8.2340 119.3923 59.2597 32.0156 178.8005 97 A 3.9545 8.2406 121.0644 55.7394 18.5015 179.6277 98 T 3.8191 8.0214 114.6028 66.8941 68.4185 176.3643 99 K 3.9828 7.8409 121.1734 59.4906 32.3037 178.5941 100 D 4.3591 7.9280 118.7303 57.4107 40.7368 178.5390 101 L 3.9913 8.1244 119.5773 58.2378 41.6597 180.0161 102 R 3.9581 7.9291 117.1787 59.1013 29.8773 179.0637 103 E 3.9416 8.0870 118.2098 59.2311 29.4238 179.0325 104 A 3.6089 7.9188 120.7914 55.0774 18.3863 179.7229 105 I 3.6180 7.8729 118.2230 64.4762 37.2824 178.4619 106 V 3.5448 7.6933 119.0236 66.6089 31.2947 177.4673 107 H 4.0455 8.3636 117.6503 59.5259 29.6056 176.8740 108 C 4.1054 8.4926 118.9042 62.8585 27.4864 175.7953 109 E 3.9801 8.2167 120.9488 59.0418 28.9718 178.7309 110 Q 3.9305 7.7161 118.7649 59.1170 29.3251 177.7991 111 V 3.7825 7.2425 109.6748 60.9461 31.7158 175.8830 112 H 3.0031 7.1883 114.1034 57.0761 26.8209 176.2906 113 D 4.5291 7.6241 119.9725 53.2969 37.7972 175.6699 114 Y 4.3743 7.3489 121.2379 60.7680 38.4640 178.2587 115 V 3.6796 7.8742 118.9481 66.1264 31.7447 178.1089 116 S 4.1883 8.1934 114.8295 61.6180 62.6546 176.6716 117 R 3.9105 8.0404 121.4803 59.3322 29.7836 178.0965 118 D 4.3821 7.9663 117.6347 56.8459 41.2152 178.0801 119 L 3.9583 7.8547 120.9436 58.2128 42.1471 178.9087 120 L 4.0073 8.1237 119.0971 57.6403 41.5275 179.4381 121 K 3.9441 8.2054 119.6333 59.6231 31.9937 178.6543 122 D 4.3926 8.2529 119.2179 57.3195 40.6565 178.8252 123 I 3.5697 7.7834 120.4551 64.0353 36.9859 178.1048 124 L 3.9191 8.0555 121.2938 58.3391 42.0383 178.7359 125 E 3.9232 8.1357 119.0627 59.2044 29.4817 178.7781 126 S 4.1269 7.8338 113.5001 61.4727 62.6708 176.0484 127 E 4.1632 8.8879 121.4956 59.2375 29.1018 179.1668 128 E 4.1021 8.5944 119.2956 59.0966 29.5490 178.8252 129 E 4.0164 8.1847 118.7001 59.8226 29.4784 178.9493 130 H 4.3684 8.2071 117.7073 59.1898 29.8678 177.2600 131 I 3.6747 7.8069 121.3483 64.4891 37.0357 177.4862 132 D 4.4082 8.1865 118.8617 57.7906 40.9438 178.1438 133 Y 4.1091 8.1270 119.4186 60.7411 38.7859 177.8152 134 L 3.7107 8.3559 120.1021 57.8516 41.7343 179.1174 135 E 3.8898 8.4257 118.6126 59.9486 29.4968 179.5275 136 T 3.8022 7.8090 115.2572 66.8657 68.5551 176.2171 137 Q 3.8019 8.1308 119.8157 59.0854 28.5534 179.2048 138 L 3.8651 8.0340 120.0667 57.8202 41.7012 179.9351 139 G 3.5756 8.3107 105.8311 47.8456 0.0000 175.6402 140 L 4.0569 8.3336 121.7415 57.6303 41.4344 179.7766 141 I 3.5873 7.4228 119.8640 64.1065 36.6869 178.4958 142 Q 3.9723 7.4730 118.1360 59.0654 28.7014 178.7712 143 K 4.1878 7.9715 117.8948 58.5654 32.1643 178.1889 144 V 4.3038 7.6841 108.7966 60.0205 33.8725 176.6645 145 G 4.0127 7.9901 106.9831 45.6268 0.0000 174.1066 146 L 3.9173 8.5878 122.8002 58.2437 42.0286 179.3270 147 E 3.9623 8.1619 117.5820 59.5335 29.4069 178.7276 148 N 4.2551 8.2457 115.8446 56.6965 38.4260 176.2972 149 Y 4.0213 7.8223 118.9935 60.8585 39.0547 178.0539 150 L 4.0969 8.3549 119.8043 57.7981 41.7826 178.8627 151 Q 3.9177 8.3755 119.9137 59.6921 28.7546 179.0595 152 S 4.2236 8.0489 113.6578 60.4872 63.2122 174.5411 153 H 4.6357 8.0039 117.5580 55.2057 30.5667 175.2382 154 M 4.1289 8.1478 121.1508 58.1189 31.9332 176.0023 155 H 5.1944 7.6664 113.4768 53.3790 31.3429 174.0946 156 E 4.1042 9.0191 121.7254 57.1274 29.2782 177.1362 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 8.63 4.10 0.00 2.86 2.62 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 5 K 9.47 4.00 0.00 1.84 1.76 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.50 7.81 6 K 8.36 3.96 0.00 1.96 1.51 0.00 1.71 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.35 7.81 7 V 7.95 3.61 2.28 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 1.16 0.00 0.00 1.00 0.00 0.00 8 I 7.53 3.78 1.85 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 0.50 0.90 0.00 0.00 9 Q 7.57 3.96 0.00 2.31 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 10 H 8.22 4.17 0.00 3.37 3.32 0.00 5.63 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 8.32 4.00 0.00 1.81 1.74 0.95 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 12 N 8.66 4.35 0.00 2.81 2.86 0.00 0.00 6.75 6.95 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 13 K 8.03 3.94 0.00 1.97 2.03 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.26 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 14 I 7.89 3.70 2.01 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 1.71 0.81 0.92 0.00 0.00 15 L 8.39 4.04 0.00 1.74 1.91 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.86 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 17 N 8.09 4.47 0.00 2.97 2.88 0.00 0.00 6.93 7.71 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 18 E 8.47 4.00 0.00 1.98 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 2.51 2.54 0.00 19 L 8.02 4.06 0.00 1.67 1.68 0.90 0.59 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 20 I 7.34 3.69 1.93 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 0.78 0.83 0.00 0.00 21 A 7.72 3.20 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.88 3.66 1.98 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 1.57 0.82 0.89 0.00 0.00 23 N 7.67 4.33 0.00 2.90 2.81 0.00 0.00 6.75 7.62 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 24 Q 8.23 3.80 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 25 Y 8.27 4.61 0.00 3.02 2.94 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 26 F 8.49 3.91 0.00 3.33 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 8.14 3.93 0.00 1.73 1.73 0.89 1.09 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 28 H 8.31 3.88 0.00 3.26 2.67 0.00 5.72 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 29 S 8.45 4.29 0.00 3.94 3.88 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 30 R 7.84 3.92 0.00 1.93 1.92 0.00 3.03 0.00 0.00 2.91 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.73 0.00 31 M 7.78 3.46 0.00 0.81 1.50 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.14 0.00 32 W 7.57 4.46 0.00 3.56 3.29 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 33 N 8.43 4.42 0.00 2.75 2.87 0.00 0.00 6.69 7.69 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 34 D 7.62 4.33 0.00 2.62 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 35 W 7.98 4.76 0.00 3.70 3.14 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 36 G 7.96 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 37 L 8.25 4.60 0.00 2.05 1.64 1.27 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.47 4.17 0.00 1.97 1.86 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.48 7.81 39 R 8.07 3.90 0.00 1.85 1.87 0.00 2.95 0.00 0.00 2.92 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 40 L 7.76 3.90 0.00 1.40 0.39 0.32 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.28 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 0.00 0.00 0.00 42 A 8.33 4.01 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 8.23 4.16 0.00 3.35 3.28 0.00 5.78 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.62 3.96 0.00 2.66 2.37 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 2.75 2.69 0.00 45 Y 8.22 3.86 0.00 2.92 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 46 H 8.02 4.21 0.00 3.31 3.26 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 7.90 3.78 0.00 1.97 1.52 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 2.15 2.19 0.00 48 S 8.18 4.24 0.00 3.91 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 49 I 7.42 3.57 1.86 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.65 0.86 0.00 0.00 50 D 8.06 4.29 0.00 2.89 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 51 E 8.07 4.04 0.00 2.10 2.17 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 2.78 2.73 0.00 52 M 8.24 3.98 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.58 0.00 53 K 7.83 4.08 0.00 1.95 1.81 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.56 7.81 54 H 7.89 4.33 0.00 3.34 3.33 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 8.29 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 56 D 7.95 4.35 0.00 2.93 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 57 K 7.92 4.06 0.00 2.01 1.86 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.65 7.81 58 L 7.94 3.97 0.00 1.84 1.73 0.98 0.88 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 59 I 8.08 3.64 2.03 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 1.02 0.92 0.00 0.00 60 E 8.26 3.97 0.00 2.16 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 2.30 2.64 0.00 61 R 8.01 4.00 0.00 2.07 2.12 0.00 3.32 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 1.69 1.81 0.00 62 I 8.15 3.69 2.12 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 0.59 0.97 0.00 0.00 63 L 8.00 3.96 0.00 2.12 1.81 0.97 0.93 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 64 F 8.16 4.28 0.00 2.99 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 7.68 3.92 0.00 1.93 1.62 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.91 3.72 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 7.98 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 68 L 7.98 4.49 0.00 1.62 1.63 0.91 1.00 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 69 P 0.00 4.32 0.00 2.04 2.00 0.00 3.62 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 70 N 9.16 4.76 0.00 2.60 2.86 0.00 0.00 7.10 7.34 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 71 L 8.28 4.55 0.00 1.62 1.64 0.91 0.96 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 72 Q 8.30 3.97 0.00 2.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 73 D 8.15 4.46 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 8.31 4.48 0.00 1.54 1.55 0.88 1.06 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 75 G 8.37 3.76 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 0.00 0.00 0.00 76 K 8.38 4.22 0.00 1.69 1.75 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.50 7.81 77 L 8.39 3.86 0.00 1.62 1.58 0.86 0.98 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 78 L 8.78 4.42 0.00 1.76 1.67 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.99 4.32 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 1.33 0.76 0.91 0.00 0.00 80 G 8.65 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 81 E 8.66 4.77 0.00 2.15 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 0.00 2.21 2.29 0.00 82 N 7.72 5.15 0.00 2.91 2.87 0.00 0.00 6.20 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 8.70 4.50 4.45 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 1.47 0.00 0.00 84 Q 8.25 3.98 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 85 E 8.74 3.99 0.00 2.27 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 2.36 2.38 0.00 86 M 8.42 3.89 0.00 1.43 2.37 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.20 0.00 87 L 8.33 4.22 0.00 1.88 1.73 0.85 0.66 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 88 Q 8.19 4.04 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 89 C 8.77 4.24 0.00 3.26 3.18 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 90 D 8.40 4.70 0.00 3.10 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 91 L 7.80 4.06 0.00 1.84 1.97 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.26 4.35 0.00 3.00 2.88 0.00 0.00 6.63 6.10 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 93 L 8.14 4.02 0.00 1.91 2.01 0.91 0.77 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 94 E 8.35 4.17 0.00 2.22 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 2.66 2.51 0.00 95 L 8.04 4.00 0.00 1.89 1.73 0.94 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.23 3.95 0.00 1.90 2.07 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 8.24 3.95 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 98 T 8.02 3.82 4.58 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 1.23 0.00 0.00 99 K 7.84 3.98 0.00 1.95 1.97 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.49 7.81 100 D 7.93 4.36 0.00 2.86 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 0.00 101 L 8.12 3.99 0.00 2.04 1.74 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.93 3.96 0.00 2.04 1.98 0.00 3.13 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 103 E 8.09 3.94 0.00 2.13 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 2.34 2.33 0.00 104 A 7.92 3.61 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 7.87 3.62 2.02 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 1.42 0.63 0.93 0.00 0.00 106 V 7.69 3.54 2.28 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 1.00 0.00 0.00 0.96 0.00 0.00 107 H 8.36 4.05 0.00 3.33 3.39 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.49 4.11 0.00 3.16 3.15 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 0.00 0.00 0.00 0.00 109 E 8.22 3.98 0.00 2.24 2.17 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 2.37 2.44 0.00 110 Q 7.72 3.93 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 111 V 7.24 3.78 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 0.75 0.00 0.00 0.90 0.00 0.00 112 H 7.19 3.00 0.00 3.10 2.95 0.00 5.66 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.62 4.53 0.00 2.71 2.50 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 0.00 114 Y 7.35 4.37 0.00 3.08 2.90 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 0.00 115 V 7.87 3.68 2.15 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 1.09 0.00 0.00 0.99 0.00 0.00 116 S 8.19 4.19 0.00 4.09 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 0.00 117 R 8.04 3.91 0.00 1.97 2.23 0.00 3.24 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 118 D 7.97 4.38 0.00 3.12 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 0.00 119 L 7.85 3.96 0.00 1.98 1.83 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.12 4.01 0.00 1.74 1.71 0.96 0.81 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 0.00 121 K 8.21 3.94 0.00 2.16 2.02 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.35 7.81 122 D 8.25 4.39 0.00 2.92 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 0.00 123 I 7.78 3.57 1.98 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 1.29 1.03 0.71 0.00 0.00 124 L 8.06 3.92 0.00 1.87 1.88 0.94 0.76 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 0.00 125 E 8.14 3.92 0.00 2.12 1.95 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 2.33 2.34 0.00 126 S 7.83 4.13 0.00 3.95 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 0.00 127 E 8.89 4.16 0.00 2.02 2.32 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 2.59 2.53 0.00 128 E 8.59 4.10 0.00 2.17 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 2.48 0.00 129 E 8.18 4.02 0.00 2.29 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 2.37 2.36 0.00 130 H 8.21 4.37 0.00 3.22 3.50 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.81 3.67 2.06 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 1.44 0.53 0.94 0.00 0.00 132 D 8.19 4.41 0.00 2.94 3.02 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 0.00 133 Y 8.13 4.11 0.00 3.15 3.16 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 0.00 134 L 8.36 3.71 0.00 1.84 1.67 1.10 0.72 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 0.00 135 E 8.43 3.89 0.00 2.04 1.99 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 2.32 2.37 0.00 136 T 7.81 3.80 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 1.19 0.00 0.00 137 Q 8.13 3.80 0.00 1.80 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.77 0.00 0.00 0.00 0.00 0.00 1.16 2.06 0.00 138 L 8.03 3.87 0.00 1.88 1.63 0.82 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.31 3.58 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 0.00 0.00 0.00 140 L 8.33 4.06 0.00 1.85 1.88 1.04 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.42 3.59 1.78 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.18 0.79 0.00 0.00 142 Q 7.47 3.97 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.00 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 143 K 7.97 4.19 0.00 1.74 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.72 7.81 144 V 7.68 4.30 2.11 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 0.76 0.00 0.00 1.05 0.00 0.00 145 G 7.99 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 0.00 146 L 8.59 3.92 0.00 1.75 1.69 0.93 0.93 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 0.00 147 E 8.16 3.96 0.00 2.06 1.99 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 2.41 2.41 0.00 148 N 8.25 4.26 0.00 3.06 2.91 0.00 0.00 6.69 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 7.82 4.02 0.00 3.01 3.16 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 0.00 150 L 8.35 4.10 0.00 1.75 1.74 0.95 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.38 3.92 0.00 2.13 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 152 S 8.05 4.22 0.00 3.94 3.66 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 0.00 0.00 0.00 153 H 8.00 4.64 0.00 3.03 3.05 0.00 5.83 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 8.15 4.13 0.00 1.81 2.01 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.48 0.00 155 H 7.67 5.19 0.00 3.08 3.14 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 9.02 4.10 0.00 1.94 1.90 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 2.32 2.28 0.00