NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4053 8.1627 120.3518 54.8851 33.5186 174.7589 2 K 3.9401 8.6071 126.4846 55.3848 32.2206 171.2980 3 V 3.9061 12.0000 119.2435 63.2954 34.2678 174.0533 4 I 5.5509 8.1120 123.4664 58.7515 41.1405 174.4042 5 L 4.7020 8.1493 122.2271 52.8832 43.9650 176.1729 6 L 4.0052 8.4112 123.7218 57.4495 41.6242 178.0800 7 E 4.8023 8.2890 112.1858 55.8902 33.0775 172.8491 8 P 5.5848 0.0000 0.0000 62.0735 31.4359 171.1391 9 L 4.5748 8.2293 116.2661 53.8365 40.4796 175.2657 10 E 4.1802 8.9861 114.4579 58.2573 30.1718 176.2684 11 N 4.8775 8.0205 112.7731 53.4570 40.5330 174.2991 12 L 5.5755 7.6246 114.4505 54.2330 41.8782 177.2226 13 G 3.7892 9.3816 115.5700 48.5518 0.0000 172.7154 14 D 5.2274 8.0751 118.3241 54.0924 39.3284 177.8673 15 V 4.3207 8.9182 118.7077 61.7350 31.5027 176.0388 16 G 3.7415 8.0869 106.4992 46.4133 0.0000 174.9541 17 Q 4.0453 8.0984 119.2420 55.9321 29.2214 175.9075 18 V 4.5388 8.2329 124.9729 59.5996 32.0114 175.5616 19 V 4.4765 7.4153 132.1402 62.8624 31.1164 175.3872 20 D 4.3200 8.4510 115.8148 55.2287 39.4636 173.8841 21 V 3.4925 7.6172 113.8417 60.2229 30.0831 175.7469 22 K 4.0276 8.3837 124.6347 56.0605 33.1789 175.4699 23 P 4.7952 0.0000 0.0000 65.2395 32.5218 174.4794 24 G 3.8626 9.6839 109.1663 45.3485 0.0000 175.6396 25 Y 3.6637 8.0410 114.1029 58.4304 39.1831 177.3174 26 A 3.9498 8.4057 124.4340 55.9364 19.7495 180.2891 27 R 3.5980 7.8705 116.3682 58.3096 30.6019 177.3656 28 N 4.9615 7.6396 111.9436 52.3595 37.5660 173.4048 29 Y 4.9431 8.5723 124.1885 58.4290 47.9144 175.7024 30 L 3.3378 7.6989 124.2517 57.4504 42.8467 178.9964 31 L 4.1310 7.8199 119.7950 57.2583 42.4933 176.7288 32 P 4.3739 0.0000 0.0000 65.1029 31.4138 177.2166 33 R 4.1489 7.7448 112.5465 55.0851 30.4817 172.9685 34 G 3.9100 8.3009 116.4055 44.7254 0.0000 173.0667 35 L 5.0254 7.6235 130.3522 55.0352 44.4391 172.6943 36 A 4.8813 7.7438 117.6701 50.1816 22.9059 177.7338 37 V 3.8979 8.7067 120.0046 66.7430 29.6409 178.8122 38 L 3.4031 6.2162 122.6595 57.5836 42.9313 176.8397 39 A 4.0913 8.5099 124.5396 52.5424 16.3240 176.9294 40 T 3.7038 7.3232 110.7348 61.6967 67.4050 173.2754 41 E 4.1288 8.9292 128.4424 59.7937 29.8572 179.0903 42 S 3.6286 8.0224 116.5469 60.5092 62.6953 175.9061 43 N 4.5946 8.0186 117.2227 54.9364 38.8441 176.5352 44 L 4.1176 8.6604 123.5763 57.5945 41.8421 178.7779 45 K 3.9177 7.9511 117.9947 59.4261 31.9106 178.4325 46 A 4.0699 7.5215 116.9282 53.3615 18.4959 178.5471 47 L 4.3137 7.8632 118.6597 56.8938 40.9445 177.5010 48 E 4.4471 7.4224 117.9726 55.8989 29.5573 176.4209 49 A 4.5940 7.8875 120.6539 52.1031 20.3473 179.1405 50 R 4.1005 7.7695 113.8313 58.4480 30.0982 178.5193 51 I 3.6679 7.2804 119.8071 64.2712 37.1951 178.2579 52 R 4.0708 7.9295 117.8930 59.2108 29.8269 178.4757 53 A 3.4076 7.5881 120.4873 55.3844 18.0942 179.3681 54 Q 3.9912 7.9262 117.8575 58.7815 28.9816 177.9654 55 A 3.9607 8.7258 122.5322 54.7795 18.7259 179.2590 56 K 3.9856 8.0182 116.8679 60.6602 32.4673 179.4426 57 R 3.9870 7.7596 118.8824 57.8733 29.7857 178.6706 58 L 3.9105 8.0015 120.6162 58.0497 42.0937 178.7517 59 A 4.1339 7.9091 120.0500 54.5068 18.4518 178.8156 60 E 4.1942 7.7589 115.5638 57.8687 29.5106 176.9083 61 R 4.4002 7.5494 113.2700 57.6331 31.2912 177.6603 62 K 3.9359 7.8569 118.6945 57.0232 32.0202 176.9705 63 A 4.6442 7.7562 119.2603 52.1610 21.2008 177.8306 64 E 3.9385 8.2410 116.2072 59.2458 29.5682 178.4055 65 A 4.0362 7.6772 120.8892 55.3504 17.8666 179.4599 66 E 3.5810 7.8301 116.1072 59.4130 29.2869 179.3020 67 R 4.0033 7.7928 117.8677 58.4947 30.1638 177.3591 68 L 4.5742 7.3689 116.5954 56.1503 42.8846 178.6638 69 K 4.4639 8.5097 117.2353 56.4857 31.3368 176.3621 70 E 4.7069 7.8208 117.3967 56.8842 35.3016 176.7048 71 I 4.2468 7.6411 116.9614 62.4865 38.6153 176.7106 72 L 4.1960 8.6356 120.4395 57.5503 41.9885 177.8013 73 E 4.0840 8.3482 118.0784 59.6466 29.4271 181.6345 74 N 4.6587 7.5981 118.3307 51.3775 36.5283 174.2462 75 L 4.6464 9.4770 119.9232 56.4158 46.1475 172.9208 76 T 4.5681 8.4336 122.3520 61.7717 71.2242 173.4665 77 L 4.7337 7.7262 125.0014 54.8324 44.1577 175.4072 78 T 5.5165 7.9628 110.2999 62.1749 71.2509 172.6284 79 I 4.8371 8.1622 123.9609 58.7621 41.9306 172.5243 80 P 5.3817 0.0000 0.0000 62.4380 31.7391 176.5616 81 V 4.5551 7.6919 117.3713 59.5215 38.7172 177.2839 82 R 4.3176 9.7383 134.3546 57.9671 31.8092 177.1331 83 A 3.5144 7.8008 118.2127 50.8540 17.4013 178.9539 84 G 3.9326 8.3565 115.8474 45.0900 0.0000 171.1992 85 E 4.4383 6.7856 114.5600 55.9458 33.3845 176.2641 86 T 4.3969 7.3812 116.7235 62.3203 72.9167 172.9587 87 K 4.6480 7.4494 116.9512 56.3718 32.3065 177.0927 88 I 3.9829 7.8127 119.2548 61.0074 40.1615 172.2742 89 Y 4.4507 9.3470 119.4406 59.1269 38.9698 176.9247 90 G 3.7179 7.6359 115.1914 45.8673 0.0000 173.2492 91 S 4.9160 7.6014 120.2181 58.0591 63.0344 175.7708 92 V 4.2518 6.5971 127.1684 62.8347 36.6418 172.1580 93 T 4.0954 8.7272 119.5805 63.7146 71.8674 176.6857 94 A 3.4802 7.2488 120.9007 53.0723 19.9628 179.7634 95 K 3.7764 8.2765 112.9808 59.7220 31.9968 179.0014 96 D 4.5083 8.6590 118.5901 56.3176 40.6395 178.2661 97 I 4.0136 8.5228 114.6918 62.9546 38.1585 177.7162 98 A 4.2338 7.6642 121.0916 54.4370 18.0533 179.4752 99 E 3.8467 8.1025 117.0456 59.1905 29.6489 178.4883 100 A 4.0046 7.4410 119.6852 55.4032 17.6359 179.6418 101 L 3.8380 8.2267 117.2516 58.2760 41.3386 179.8053 102 S 4.5038 8.5945 114.4093 60.2856 62.4077 175.0838 103 R 4.6684 7.7632 115.9713 57.3874 36.1000 176.2287 104 Q 4.1825 8.3381 118.8270 57.6197 29.4343 175.8911 105 H 4.6021 8.5195 112.3556 56.1325 31.7301 174.2400 106 G 4.0899 8.6298 106.4416 44.9531 0.0000 173.9854 107 I 3.9949 8.5204 114.1074 60.4340 42.1684 173.5114 108 T 4.3705 8.9126 124.8111 63.0087 69.3512 174.3192 109 I 4.7405 7.8948 117.9972 59.7956 40.2122 174.4899 110 D 4.9469 8.3020 112.6882 52.7041 40.9157 176.5659 111 P 4.7732 0.0000 0.0000 62.6231 30.8574 176.8842 112 K 4.4692 8.1257 118.0533 58.4663 34.9269 180.9114 113 R 4.0327 8.1003 114.9888 56.1330 29.1983 177.6981 114 L 4.5417 8.2916 121.2128 55.5278 41.9288 176.9384 115 A 4.5867 8.3683 120.6393 52.2120 20.6656 175.9111 116 L 4.3899 7.8442 119.1772 55.3546 42.8935 175.8686 117 E 4.9250 8.2029 121.1415 56.4185 31.9156 176.6141 118 K 4.6002 7.8218 118.3733 54.0296 32.3918 173.3605 119 P 4.2215 0.0000 0.0000 63.5574 32.6289 177.1559 120 I 3.7337 7.0319 116.9269 62.8745 42.9722 171.5863 121 K 4.4034 9.1048 117.8559 54.7284 33.7183 178.7211 122 E 4.0471 6.3149 122.5483 55.8055 31.1226 174.6571 123 L 4.0923 8.4419 119.8364 56.7118 41.5141 177.2141 124 G 4.0428 6.9082 113.7038 45.8277 0.0000 175.5147 125 E 5.3131 7.0585 123.8484 56.1123 29.0142 178.3977 126 Y 4.1303 8.7887 113.9705 57.4425 38.7888 168.5694 127 V 3.5725 7.0894 116.3302 61.5280 32.8069 176.4295 128 L 4.1063 7.1932 120.8084 55.7790 44.5921 174.7250 129 T 4.3450 7.9898 115.7452 64.4019 72.7600 172.5379 130 Y 4.6020 8.0903 121.6336 56.3881 42.4185 173.7321 131 K 4.3359 7.7579 127.2956 53.8704 31.8642 174.0009 132 P 4.2010 0.0000 0.0000 64.4370 31.9444 176.2857 133 H 4.9967 7.3781 111.1493 52.5133 30.6070 171.0827 134 P 3.9098 0.0000 0.0000 65.2899 31.4517 178.5372 135 E 3.7945 8.0609 123.2470 58.9391 31.2570 178.0164 136 V 4.4966 7.4912 117.5000 60.4336 35.5195 171.2235 137 P 4.9350 0.0000 0.0000 61.6520 29.5841 176.5527 138 I 4.3892 8.2925 125.4444 60.4968 40.9656 172.8723 139 Q 4.2700 7.8184 119.7634 56.9145 29.2311 177.5291 140 L 4.8350 8.5473 124.8522 53.1963 45.4892 174.5045 141 K 4.7104 7.9824 119.6398 55.4100 36.8810 174.8660 142 V 4.5083 7.8580 118.3764 62.8733 35.6736 171.9923 143 S 5.4289 9.0043 117.8104 55.1076 65.9748 172.9719 144 V 3.9951 8.4515 126.0605 62.9719 32.2798 176.1599 145 V 4.1804 9.1161 129.0480 61.4989 31.2097 173.8302 146 A 4.5278 8.3498 128.0879 50.0263 19.2053 175.6339 147 Q 4.4952 8.8341 125.0086 56.8884 32.7863 173.3503 148 E 4.1625 9.2658 115.9211 56.4773 29.0192 173.7834 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 8.16 4.41 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 2 K 8.61 3.94 0.00 1.84 1.82 0.00 1.99 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.70 7.81 3 V 12.00 3.91 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 0.98 0.00 0.00 1.07 0.00 0.00 4 I 8.11 5.55 1.87 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 1.24 1.23 0.93 0.00 0.00 5 L 8.15 4.70 0.00 1.36 1.51 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.41 4.01 0.00 1.84 1.65 0.84 0.74 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 7 E 8.29 4.80 0.00 2.10 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 2.20 2.18 0.00 8 P 0.00 5.58 0.00 2.18 1.95 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.83 0.00 9 L 8.23 4.57 0.00 1.64 1.38 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.99 4.18 0.00 2.00 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 2.33 2.25 0.00 11 N 8.02 4.88 0.00 2.65 2.47 0.00 0.00 6.72 6.66 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 12 L 7.62 5.58 0.00 2.29 1.77 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 13 G 9.38 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 14 D 8.08 5.23 0.00 2.87 2.95 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 15 V 8.92 4.32 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 0.76 0.00 0.00 0.93 0.00 0.00 16 G 8.09 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 0.00 0.00 0.00 0.00 17 Q 8.10 4.05 0.00 1.99 2.10 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 2.63 2.30 0.00 18 V 8.23 4.54 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 0.98 0.00 0.00 1.00 0.00 0.00 19 V 7.42 4.48 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 1.06 0.00 0.00 0.94 0.00 0.00 20 D 8.45 4.32 0.00 2.84 2.74 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 0.00 21 V 7.62 3.49 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 0.77 0.00 0.00 1.03 0.00 0.00 22 K 8.38 4.03 0.00 1.86 1.91 0.00 1.54 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.46 7.81 23 P 0.00 4.80 0.00 2.21 1.98 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 24 G 9.68 3.86 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 0.00 0.00 0.00 25 Y 8.04 3.66 0.00 3.13 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 26 A 8.41 3.95 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 27 R 7.87 3.60 0.00 1.82 2.08 0.00 3.25 0.00 0.00 3.48 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 28 N 7.64 4.96 0.00 2.79 2.91 0.00 0.00 6.74 7.42 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 29 Y 8.57 4.94 0.00 2.84 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.70 3.34 0.00 1.67 1.54 0.60 1.02 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 31 L 7.82 4.13 0.00 1.58 1.89 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.37 0.00 2.12 2.17 0.00 3.87 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 2.06 2.24 0.00 33 R 7.74 4.15 0.00 1.84 1.99 0.00 2.96 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.60 0.00 34 G 8.30 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 35 L 7.62 5.03 0.00 1.54 1.47 0.89 1.00 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 36 A 7.74 4.88 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 37 V 8.71 3.90 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 0.94 0.00 0.00 0.95 0.00 0.00 38 L 6.22 3.40 0.00 1.78 1.72 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.51 4.09 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.32 3.70 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 1.22 0.00 0.00 41 E 8.93 4.13 0.00 2.20 2.18 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 2.36 2.34 0.00 42 S 8.02 3.63 0.00 3.88 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 43 N 8.02 4.59 0.00 2.83 2.86 0.00 0.00 6.87 7.85 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 44 L 8.66 4.12 0.00 1.68 1.88 0.98 0.42 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 45 K 7.95 3.92 0.00 2.03 1.85 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.46 7.81 46 A 7.52 4.07 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 47 L 7.86 4.31 0.00 1.93 1.92 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.42 4.45 0.00 1.84 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 2.25 2.23 0.00 49 A 7.89 4.59 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.77 4.10 0.00 2.04 2.18 0.00 2.98 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 51 I 7.28 3.67 1.87 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 1.52 0.79 0.91 0.00 0.00 52 R 7.93 4.07 0.00 1.82 1.96 0.00 3.33 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.63 0.00 53 A 7.59 3.41 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 7.93 3.99 0.00 2.08 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 55 A 8.73 3.96 1.26 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 56 K 8.02 3.99 0.00 1.99 2.08 0.00 1.51 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.65 7.81 57 R 7.76 3.99 0.00 2.06 2.02 0.00 3.18 0.00 0.00 3.35 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 58 L 8.00 3.91 0.00 1.88 1.78 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.91 4.13 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.76 4.19 0.00 2.01 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 2.45 2.46 0.00 61 R 7.55 4.40 0.00 1.92 2.09 0.00 2.96 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.65 0.00 62 K 7.86 3.94 0.00 1.66 2.01 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.44 7.81 63 A 7.76 4.64 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 64 E 8.24 3.94 0.00 2.20 1.86 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 2.37 2.43 0.00 65 A 7.68 4.04 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 66 E 7.83 3.58 0.00 2.24 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 67 R 7.79 4.00 0.00 1.80 2.20 0.00 3.22 0.00 0.00 3.36 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 68 L 7.37 4.57 0.00 1.99 1.65 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.51 4.46 0.00 1.76 2.08 0.00 2.10 0.00 0.00 1.92 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.48 7.81 70 E 7.82 4.71 0.00 2.06 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 2.24 0.00 71 I 7.64 4.25 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 1.42 1.60 0.93 0.00 0.00 72 L 8.64 4.20 0.00 1.66 1.62 0.82 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.35 4.08 0.00 1.98 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 2.41 2.41 0.00 74 N 7.60 4.66 0.00 3.05 3.05 0.00 0.00 6.60 6.55 0.00 0.00 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 L 9.48 4.65 0.00 1.62 1.75 0.95 0.88 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 76 T 8.43 4.57 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 77 L 7.73 4.73 0.00 1.67 1.49 0.93 0.71 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 78 T 7.96 5.52 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 1.25 0.00 0.00 79 I 8.16 4.84 1.88 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 1.53 0.76 0.92 0.00 0.00 80 P 0.00 5.38 0.00 2.09 2.11 0.00 3.39 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.89 0.00 81 V 7.69 4.56 2.18 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 0.72 0.00 0.00 1.05 0.00 0.00 82 R 9.74 4.32 0.00 2.02 0.87 0.00 2.21 0.00 0.00 2.25 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.16 0.00 83 A 7.80 3.51 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 84 G 8.36 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 85 E 6.79 4.44 0.00 1.92 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 2.18 2.23 0.00 86 T 7.38 4.40 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 1.20 0.00 0.00 87 K 7.45 4.65 0.00 1.92 1.19 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.43 7.81 88 I 7.81 3.98 1.99 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.09 0.96 0.00 0.00 89 Y 9.35 4.45 0.00 3.11 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 90 G 7.64 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 0.00 0.00 0.00 91 S 7.60 4.92 0.00 4.08 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 92 V 6.60 4.25 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 0.83 0.00 0.00 1.00 0.00 0.00 93 T 8.73 4.10 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 1.23 0.00 0.00 94 A 7.25 3.48 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 95 K 8.28 3.78 0.00 1.85 1.90 0.00 1.57 0.00 0.00 1.83 0.00 0.00 3.18 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.63 7.81 96 D 8.66 4.51 0.00 2.80 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.52 4.01 1.84 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 1.39 1.29 1.00 0.00 0.00 98 A 7.66 4.23 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 99 E 8.10 3.85 0.00 2.23 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 2.39 2.43 0.00 100 A 7.44 4.00 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 0.00 101 L 8.23 3.84 0.00 1.52 2.37 0.84 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.59 4.50 0.00 3.82 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 7.76 4.67 0.00 1.88 1.98 0.00 3.15 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.82 0.00 104 Q 8.34 4.18 0.00 2.06 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 105 H 8.52 4.60 0.00 3.06 3.28 0.00 5.91 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 0.00 106 G 8.63 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.52 3.99 1.87 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 1.28 0.61 0.89 0.00 0.00 108 T 8.91 4.37 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 0.00 109 I 7.89 4.74 1.82 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 1.26 0.86 0.85 0.00 0.00 110 D 8.30 4.95 0.00 2.66 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 4.77 0.00 2.11 2.07 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 112 K 8.13 4.47 0.00 2.10 1.77 0.00 1.54 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.50 7.81 113 R 8.10 4.03 0.00 1.55 1.61 0.00 3.18 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 114 L 8.29 4.54 0.00 1.85 2.11 1.01 0.67 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 0.00 115 A 8.37 4.59 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.84 4.39 0.00 1.66 1.63 0.96 0.96 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 0.00 117 E 8.20 4.93 0.00 2.06 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 0.00 2.08 2.19 0.00 118 K 7.82 4.60 0.00 1.83 1.82 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.39 7.81 119 P 0.00 4.22 0.00 2.09 2.14 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 120 I 7.03 3.73 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.56 0.98 0.00 0.00 121 K 9.10 4.40 0.00 1.61 1.54 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.48 7.81 122 E 6.31 4.05 0.00 2.04 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 0.00 2.25 2.15 0.00 123 L 8.44 4.09 0.00 1.92 1.75 0.92 0.85 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 0.00 124 G 6.91 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 0.00 125 E 7.06 5.31 0.00 2.13 1.62 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 2.37 2.25 0.00 126 Y 8.79 4.13 0.00 3.17 3.33 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 0.00 127 V 7.09 3.57 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 0.68 0.00 0.00 0.64 0.00 0.00 128 L 7.19 4.11 0.00 1.74 1.41 0.89 0.87 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 0.00 129 T 7.99 4.34 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 0.00 130 Y 8.09 4.60 0.00 3.00 2.95 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 0.00 131 K 7.76 4.34 0.00 1.69 1.54 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 1.28 7.81 132 P 0.00 4.20 0.00 2.27 2.19 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 133 H 7.38 5.00 0.00 3.29 3.21 0.00 5.59 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 0.00 134 P 0.00 3.91 0.00 2.19 1.95 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 135 E 8.06 3.79 0.00 1.92 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 2.44 0.00 136 V 7.49 4.50 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 1.09 0.00 0.00 0.97 0.00 0.00 137 P 0.00 4.93 0.00 2.29 1.33 0.00 3.89 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 138 I 8.29 4.39 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 1.35 1.04 1.40 0.00 0.00 139 Q 7.82 4.27 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 140 L 8.55 4.84 0.00 1.71 1.45 0.90 0.47 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 0.00 141 K 7.98 4.71 0.00 1.63 1.82 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.72 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.22 1.31 7.81 142 V 7.86 4.51 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 0.87 0.00 0.00 0.93 0.00 0.00 143 S 9.00 5.43 0.00 3.86 3.64 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 0.00 144 V 8.45 4.00 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 0.83 0.00 0.00 1.02 0.00 0.00 145 V 9.12 4.18 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 0.89 0.00 0.00 0.99 0.00 0.00 146 A 8.35 4.53 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 0.00 147 Q 8.83 4.50 0.00 1.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 5.71 0.00 0.00 0.00 0.00 0.00 2.10 2.25 0.00 148 E 9.27 4.16 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.54 0.00