NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3848 8.2893 120.3493 55.5366 32.0780 174.0679 2 N 4.4905 8.0543 121.2800 50.5012 37.8520 171.1230 3 E 3.9667 9.3229 125.3770 57.0479 29.2700 178.3201 4 L 4.4085 8.1436 124.4690 53.4023 40.6656 175.9976 5 E 4.5258 8.0149 123.3231 53.5348 32.0840 175.8560 6 G 3.7789 8.1508 112.6484 45.2637 0.0000 172.1499 7 Y 4.7730 8.8917 117.1795 56.1073 40.1686 176.8316 8 V 4.0623 8.5926 123.8540 63.5432 32.5272 177.5913 9 T 4.2138 8.1663 117.3257 66.1657 68.7678 175.0005 10 K 4.3984 7.9525 119.8394 56.7153 32.6593 177.4566 11 A 4.2998 8.2487 123.7185 53.5866 18.8711 182.1339 12 Q 3.4361 7.7684 111.8090 57.9495 31.6091 180.1342 13 S 4.0823 8.0092 110.7714 59.9515 63.1724 174.2800 14 F 4.2833 8.6152 119.8679 56.4452 39.9092 174.5263 15 R 4.5604 8.3656 121.7836 54.7170 32.1104 174.3925 16 F 5.6536 8.7177 123.0676 55.7814 43.9071 173.5302 17 A 4.7185 8.5614 120.5127 50.5186 22.4826 175.1966 18 I 4.8278 8.8937 122.7971 59.4575 40.3571 174.9795 19 V 4.5934 8.6587 125.6427 61.1840 34.3434 174.6201 20 V 5.2856 8.7935 120.5402 58.3207 35.4100 174.6141 21 A 5.1176 8.5064 125.7025 51.2369 19.5898 177.8663 22 R 4.2495 9.4388 122.6731 58.8093 30.6062 176.8195 23 F 4.0849 8.2436 119.9544 59.7735 39.8273 174.2113 24 N 4.3282 8.4575 123.5033 54.3514 36.2780 176.0378 25 E 4.5113 8.0608 121.5007 59.2940 29.3982 177.5992 26 F 3.9949 8.3415 118.6323 60.9872 39.4092 176.4229 27 V 4.1323 8.4426 117.1664 65.0612 32.0992 177.5743 28 T 3.8691 8.0121 109.0725 65.0905 68.2840 175.3705 29 R 4.0458 8.4959 121.9533 59.3759 30.0123 178.1728 30 R 3.8142 7.9716 116.7745 59.3095 30.1379 178.1802 31 L 3.8317 8.1995 120.2257 58.6288 41.9789 178.7235 32 M 3.8554 8.5596 117.7663 58.8463 32.1560 177.6583 33 E 4.0880 8.6760 119.1595 59.6133 29.5482 179.8985 34 G 3.4865 8.4650 105.4594 47.7019 0.0000 175.3679 35 A 3.6646 7.7842 124.0419 54.8840 18.3738 178.7988 36 L 4.0649 8.3350 118.6887 58.6238 41.9731 178.3090 37 D 4.3961 8.6061 117.6159 58.1311 41.1661 178.8877 38 T 3.8780 8.0385 116.0095 66.9518 68.2016 176.0497 39 F 4.3083 7.6554 118.0032 60.7669 39.2435 177.4042 40 K 4.1692 8.1581 117.1881 59.7203 31.7751 179.0759 41 K 3.8330 8.5549 118.5528 59.2288 32.6270 176.9011 42 Y 4.3357 8.7381 117.7398 58.4554 38.4724 176.0759 43 S 3.7552 8.2282 111.2305 58.8304 63.4898 172.8435 44 V 3.9785 7.7915 120.1765 62.1075 31.7204 175.7830 45 N 4.7214 8.3136 120.8152 53.6887 40.5675 174.0868 46 E 4.5137 9.0379 126.1432 56.3817 30.7211 174.5219 47 D 4.2943 8.8195 114.0346 59.7544 40.1657 173.8931 48 I 3.5668 6.5136 108.9885 58.4115 39.4723 174.4398 49 D 4.6571 8.7503 124.3400 54.0405 42.2330 175.4124 50 V 4.6381 8.3533 116.2488 59.5225 34.0951 175.0020 51 V 4.2990 8.8353 126.7172 60.9229 33.4460 174.3353 52 W 5.2368 8.8670 128.0677 55.8748 30.2920 176.1536 53 V 4.7162 9.0987 118.1180 58.8562 34.8432 174.9163 54 P 4.3642 0.0000 0.0000 65.4834 32.0595 176.4266 55 G 4.5524 8.1864 108.0827 42.4691 0.0000 173.0820 56 A 3.9203 8.6756 122.9604 55.3806 18.3877 179.4319 57 Y 3.9258 8.3443 116.0455 61.1930 38.6288 178.1731 58 E 4.1319 8.6572 119.3505 59.4187 29.5269 179.3419 59 L 3.9682 7.7976 119.1149 58.7436 41.7500 179.0756 60 G 3.6760 7.8389 101.1545 49.3310 0.0000 175.6213 61 V 3.6608 7.7119 112.0546 63.8738 32.1288 178.5739 62 T 3.8368 7.7414 114.7662 66.6865 68.2965 176.2472 63 A 3.8829 8.6249 122.5513 55.6471 18.3974 179.4088 64 Q 3.8150 8.4930 118.1325 60.0114 29.2139 178.7520 65 A 4.0175 8.8677 122.1434 54.5847 18.0614 179.1049 66 L 4.1246 8.2057 117.9646 57.8101 42.3560 180.2446 67 G 3.8097 8.8736 105.5844 47.9705 0.0000 176.0597 68 K 4.1606 8.1444 120.2373 58.2796 32.3896 178.9826 69 S 4.3498 8.4157 114.3212 58.7180 62.6678 175.1569 70 G 3.9500 7.9788 109.4986 46.2922 0.0000 174.7288 71 K 3.8031 7.8097 119.3800 58.1421 32.2065 176.9196 72 Y 4.7760 7.4040 114.1810 56.5868 40.3494 174.9218 73 H 4.8180 9.1387 118.4249 57.4765 30.0338 175.7537 74 A 4.9517 7.8594 118.0667 50.7250 22.6920 175.0894 75 I 4.9110 8.8747 115.6531 58.9300 40.7134 174.6540 76 V 4.6475 8.8373 125.7849 60.0799 33.9408 174.1305 77 C 5.1201 9.1030 122.8177 57.8761 30.7407 172.8326 78 L 5.5342 8.0939 123.5499 52.1187 44.8954 175.7883 79 G 4.3395 8.0403 107.2648 46.3266 0.0000 171.9590 80 A 5.2066 8.5720 121.5393 50.5093 22.1338 176.2357 81 V 4.2714 9.1632 123.3002 59.9361 33.5655 175.2012 82 V 4.2898 8.4509 119.5140 60.5752 32.6087 177.6783 83 K 3.5824 8.5118 127.3405 56.7291 29.1727 176.9941 84 G 3.7884 8.5597 113.2817 47.2989 0.0000 171.5899 85 D 4.6266 7.8340 117.0369 54.6047 43.4286 177.6851 86 T 4.2708 8.5018 115.1582 61.3307 70.7721 176.0749 87 S 4.9638 8.5423 116.9424 60.1155 62.6218 175.2399 88 H 3.8776 7.9752 123.2031 60.0830 29.4346 175.3420 89 Y 4.1672 8.1580 120.5507 61.3817 38.5156 177.7185 90 D 4.1973 8.4824 118.2449 58.0422 41.0277 178.5900 91 A 3.8405 8.2712 120.0628 55.9678 18.2815 179.4371 92 V 3.6070 8.4203 115.5286 66.0102 31.6210 178.3627 93 V 3.4935 8.0772 117.9115 66.3996 31.2040 177.8288 94 N 4.2366 8.8361 116.3623 56.3632 38.3558 177.2345 95 S 3.9580 8.1802 116.1602 62.1247 62.9832 176.3502 96 A 3.9453 8.6413 123.8012 55.3497 17.9712 179.1408 97 S 4.2210 8.7467 110.3716 61.7657 62.5116 176.6035 98 S 4.1061 8.8900 116.2545 61.5862 62.0632 176.1314 99 G 3.6305 8.5758 108.6191 48.1464 0.0000 175.3712 100 V 3.6318 7.9278 121.1173 65.8664 31.4594 177.3598 101 L 3.9261 8.2669 119.9041 57.7093 41.7840 178.7391 102 S 4.0781 8.7780 114.7682 62.0176 63.0501 176.5496 103 A 4.1013 8.6577 123.2602 55.3807 18.0023 179.5177 104 G 4.2964 8.2535 103.0802 47.8192 0.0000 175.5102 105 L 4.0250 7.8288 120.1320 57.5850 41.8037 179.0769 106 N 4.5100 8.6026 115.5217 56.4182 38.6214 177.4046 107 S 4.3826 8.7392 114.5262 59.0098 63.3524 175.3935 108 G 3.9747 8.0755 109.4277 45.6381 0.0000 172.8334 109 V 4.5368 7.7727 120.0529 59.8384 34.3046 173.1897 110 P 4.5396 0.0000 0.0000 63.3051 32.3103 174.7708 111 C 5.1965 8.5836 122.3152 57.8768 30.6523 173.8144 112 V 3.7401 8.8416 125.9335 62.5197 32.2982 175.3640 113 F 4.4913 9.0132 131.5721 56.5055 37.9311 175.4895 114 G 4.1860 8.7987 118.7318 44.1235 0.0000 170.6891 115 V 4.8271 6.3697 116.9696 59.5892 34.4034 177.3012 116 L 4.4187 8.9346 125.7671 54.1822 42.9219 177.1606 117 T 5.3733 7.9375 112.2272 60.3804 68.2618 173.1469 118 C 4.2703 8.1708 119.3122 60.4480 30.2032 174.4561 119 D 4.5296 9.0028 120.2266 55.9633 39.5107 176.7624 120 N 4.7230 9.5730 116.2916 51.9460 39.4706 175.8913 121 M 3.9814 8.8157 119.5717 59.1667 32.2605 177.7955 122 D 4.3618 8.2113 117.3136 57.7675 41.0256 178.1087 123 Q 4.0056 8.9265 116.9180 59.0234 29.0452 178.6663 124 A 4.1642 7.7164 120.5818 55.5545 18.3629 179.4513 125 I 3.7776 8.0475 118.2280 65.1791 37.2322 178.2765 126 N 4.4102 8.1202 116.5315 56.1331 38.3951 177.4888 127 R 4.0757 8.6380 119.1966 57.4957 30.8715 176.7988 128 A 4.4629 7.5421 123.7661 51.5090 18.3447 177.5092 129 G 3.9209 8.9704 106.0206 45.8682 0.0000 173.9441 130 G 4.2470 7.7675 111.0129 43.9965 0.0000 175.4235 131 K 4.1914 8.2764 120.3243 58.1484 32.5211 177.2202 132 A 4.4791 7.9960 121.4423 51.8127 20.0879 178.4700 133 G 3.7257 8.7982 105.2033 45.2608 0.0000 172.8911 134 N 5.8027 8.0522 119.0596 50.0051 41.3947 175.5420 135 K 4.1301 8.1769 131.2406 58.9668 32.2995 177.9379 136 G 3.7608 8.2400 104.8803 48.1233 0.0000 174.8206 137 A 3.7757 8.3961 123.3329 54.5887 17.9695 179.2538 138 E 3.7343 8.0476 116.7954 59.8500 29.1362 179.8547 139 S 3.9920 8.5521 114.9061 61.5581 62.8149 176.4336 140 A 3.3942 7.6056 123.0980 54.8991 17.9131 179.0268 141 L 3.3434 7.4667 118.3600 58.6747 42.0318 179.5018 142 T 3.6759 8.0288 115.3331 66.4132 68.2876 176.1018 143 A 3.8914 8.1036 122.9552 55.8670 18.2443 179.1061 144 I 3.6081 7.5947 117.7380 64.7049 37.1527 177.7336 145 E 3.8303 8.4163 119.3897 59.9618 29.4353 179.4468 146 M 3.8376 8.4511 118.2722 58.3906 31.7969 178.1380 147 A 3.8636 7.8865 119.6696 55.3437 18.7930 178.9160 148 S 4.2361 7.9474 110.8712 61.6191 62.3657 176.2130 149 L 4.0157 8.4127 122.9486 58.6606 41.7815 179.0341 150 F 4.4182 8.8414 117.4872 59.2231 39.8578 174.7636 151 E 5.2042 7.9760 118.2519 52.8124 28.6950 173.8778 152 H 4.8931 7.8398 129.4457 56.8857 32.2364 174.6890 153 H 4.4686 8.9976 113.7645 57.2687 29.0864 175.2173 154 L 3.9810 7.3760 120.8864 53.3210 41.9547 173.9668 155 K 4.1227 7.5300 120.5126 56.8000 32.7062 175.8995 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 8.29 4.38 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 N 8.05 4.49 0.00 2.91 2.78 0.00 0.00 6.33 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 E 9.32 3.97 0.00 1.97 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 0.00 2.31 2.33 0.00 4 L 8.14 4.41 0.00 1.68 1.83 0.96 0.95 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 5 E 8.01 4.53 0.00 1.78 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 6 G 8.15 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 0.00 0.00 0.00 7 Y 8.89 4.77 0.00 2.99 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 8 V 8.59 4.06 2.14 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 0.96 0.00 0.00 0.89 0.00 0.00 9 T 8.17 4.21 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 1.25 0.00 0.00 10 K 7.95 4.40 0.00 1.95 1.89 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.35 0.00 0.00 3.60 0.00 0.00 0.00 0.00 1.62 1.85 7.81 11 A 8.25 4.30 1.59 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 0.00 0.00 12 Q 7.77 3.44 0.00 2.32 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 13 S 8.01 4.08 0.00 3.62 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 14 F 8.62 4.28 0.00 2.64 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 0.00 0.00 0.00 0.00 15 R 8.37 4.56 0.00 1.82 1.63 0.00 3.10 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.75 0.00 16 F 8.72 5.65 0.00 2.50 2.69 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 0.00 0.00 0.00 0.00 17 A 8.56 4.72 0.18 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 0.00 0.00 18 I 8.89 4.83 1.74 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 1.17 0.93 0.74 0.00 0.00 19 V 8.66 4.59 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 0.96 0.00 0.00 0.81 0.00 0.00 20 V 8.79 5.29 1.75 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 0.68 0.00 0.00 -0.56 0.00 0.00 21 A 8.51 5.12 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 22 R 9.44 4.25 0.00 1.95 2.14 0.00 3.04 0.00 0.00 2.93 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.33 0.00 23 F 8.24 4.08 0.00 3.32 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 24 N 8.46 4.33 0.00 3.26 3.07 0.00 0.00 6.73 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 25 E 8.06 4.51 0.00 2.33 2.04 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 2.36 2.29 0.00 26 F 8.34 3.99 0.00 3.11 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 27 V 8.44 4.13 2.29 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 1.11 0.00 0.00 1.16 0.00 0.00 28 T 8.01 3.87 4.35 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 1.34 0.00 0.00 29 R 8.50 4.05 0.00 2.16 1.99 0.00 3.37 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 30 R 7.97 3.81 0.00 2.06 1.93 0.00 3.25 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.50 0.00 31 L 8.20 3.83 0.00 1.96 1.71 0.89 0.78 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 32 M 8.56 3.86 0.00 2.10 1.81 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.60 0.00 33 E 8.68 4.09 0.00 2.15 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 2.36 2.59 0.00 34 G 8.47 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.78 3.66 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 36 L 8.34 4.06 0.00 1.98 1.70 1.01 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.61 4.40 0.00 2.80 2.83 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 38 T 8.04 3.88 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 0.75 0.00 0.00 39 F 7.66 4.31 0.00 3.35 3.07 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 40 K 8.16 4.17 0.00 1.98 1.94 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.68 7.81 41 K 8.55 3.83 0.00 2.07 2.31 0.00 1.96 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.50 7.81 42 Y 8.74 4.34 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 43 S 8.23 3.76 0.00 4.13 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.79 3.98 2.41 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 0.89 0.00 0.00 1.29 0.00 0.00 45 N 8.31 4.72 0.00 2.75 2.75 0.00 0.00 6.94 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.04 4.51 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 47 D 8.82 4.29 0.00 2.78 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 48 I 6.51 3.57 1.71 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 1.40 1.53 0.51 0.00 0.00 49 D 8.75 4.66 0.00 2.62 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.35 4.64 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.90 0.00 0.00 51 V 8.84 4.30 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 1.06 0.00 0.00 0.86 0.00 0.00 52 W 8.87 5.24 0.00 3.25 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 53 V 9.10 4.72 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 0.82 0.00 0.00 1.05 0.00 0.00 54 P 0.00 4.36 0.00 2.21 2.37 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.05 0.00 55 G 8.19 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.68 3.92 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 57 Y 8.34 3.93 0.00 3.01 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 58 E 8.66 4.13 0.00 2.39 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 2.42 2.50 0.00 59 L 7.80 3.97 0.00 1.76 1.69 0.79 0.62 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 60 G 7.84 3.68 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 0.00 0.00 0.00 61 V 7.71 3.66 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 0.86 0.00 0.00 1.00 0.00 0.00 62 T 7.74 3.84 4.38 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 1.21 0.00 0.00 63 A 8.62 3.88 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 64 Q 8.49 3.82 0.00 2.20 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 65 A 8.87 4.02 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 66 L 8.21 4.12 0.00 1.74 1.69 0.70 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.87 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 68 K 8.14 4.16 0.00 1.96 1.92 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.48 7.81 69 S 8.42 4.35 0.00 4.07 4.19 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 70 G 7.98 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 71 K 7.81 3.80 0.00 0.79 1.19 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.38 7.81 72 Y 7.40 4.78 0.00 2.93 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 73 H 9.14 4.82 0.00 2.83 3.45 0.00 5.89 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.86 4.95 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.87 4.91 1.78 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 1.45 0.77 0.00 0.00 76 V 8.84 4.65 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 77 C 9.10 5.12 0.00 2.68 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 78 L 8.09 5.53 0.00 1.40 1.40 0.79 0.73 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 G 8.04 4.34 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 0.00 80 A 8.57 5.21 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 81 V 9.16 4.27 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 0.85 0.00 0.00 0.85 0.00 0.00 82 V 8.45 4.29 2.33 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 0.76 0.00 0.00 1.06 0.00 0.00 83 K 8.51 3.58 0.00 0.79 1.35 0.00 0.89 0.00 0.00 1.53 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.09 0.66 7.81 84 G 8.56 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.83 4.63 0.00 2.63 2.40 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 86 T 8.50 4.27 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 1.24 0.00 0.00 87 S 8.54 4.96 0.00 4.28 4.21 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 88 H 7.98 3.88 0.00 3.22 3.43 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 8.16 4.17 0.00 3.11 3.09 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 90 D 8.48 4.20 0.00 2.91 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 91 A 8.27 3.84 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 92 V 8.42 3.61 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 0.94 0.00 0.00 1.04 0.00 0.00 93 V 8.08 3.49 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 0.90 0.00 0.00 0.14 0.00 0.00 94 N 8.84 4.24 0.00 2.84 2.79 0.00 0.00 7.06 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.18 3.96 0.00 3.72 3.07 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 96 A 8.64 3.95 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 97 S 8.75 4.22 0.00 3.69 3.99 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 98 S 8.89 4.11 0.00 3.81 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 99 G 8.58 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 0.00 100 V 7.93 3.63 2.45 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 1.10 0.00 0.00 0.98 0.00 0.00 101 L 8.27 3.93 0.00 1.84 1.71 0.88 0.76 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 0.00 102 S 8.78 4.08 0.00 3.99 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 0.00 103 A 8.66 4.10 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 0.00 104 G 8.25 4.30 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 0.00 105 L 7.83 4.03 0.00 1.80 1.76 0.94 0.96 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 0.00 106 N 8.60 4.51 0.00 2.70 2.90 0.00 0.00 7.19 8.19 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 0.00 107 S 8.74 4.38 0.00 4.03 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 0.00 108 G 8.08 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 0.00 109 V 7.77 4.54 2.14 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 1.06 0.00 0.00 1.10 0.00 0.00 110 P 0.00 4.54 0.00 1.95 1.74 0.00 3.70 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 1.33 1.33 0.00 111 C 8.58 5.20 0.00 2.83 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.84 3.74 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 0.86 0.00 0.00 0.87 0.00 0.00 113 F 9.01 4.49 0.00 3.05 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 0.00 114 G 8.80 4.19 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 0.00 0.00 0.00 115 V 6.37 4.83 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 -0.85 0.00 0.00 0.75 0.00 0.00 116 L 8.93 4.42 0.00 1.62 1.66 0.94 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 117 T 7.94 5.37 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 1.27 0.00 0.00 118 C 8.17 4.27 0.00 2.97 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 D 9.00 4.53 0.00 2.68 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 N 9.57 4.72 0.00 2.89 2.91 0.00 0.00 6.77 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 0.00 121 M 8.82 3.98 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 122 D 8.21 4.36 0.00 2.74 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 0.00 123 Q 8.93 4.01 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 124 A 7.72 4.16 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 0.00 125 I 8.05 3.78 2.05 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.01 1.02 0.00 0.00 126 N 8.12 4.41 0.00 3.01 2.87 0.00 0.00 7.03 7.01 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 0.00 127 R 8.64 4.08 0.00 1.91 1.98 0.00 3.28 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 128 A 7.54 4.46 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 0.00 129 G 8.97 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 0.00 130 G 7.77 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 0.00 0.00 0.00 0.00 131 K 8.28 4.19 0.00 1.83 1.94 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.39 7.81 132 A 8.00 4.48 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 0.00 133 G 8.80 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.05 5.80 0.00 2.71 2.60 0.00 0.00 6.78 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 8.18 4.13 0.00 1.83 1.75 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.19 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.36 7.81 136 G 8.24 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 0.00 137 A 8.40 3.78 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 0.00 138 E 8.05 3.73 0.00 2.12 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 0.00 2.27 2.43 0.00 139 S 8.55 3.99 0.00 3.84 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 0.00 140 A 7.61 3.39 0.37 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 0.00 141 L 7.47 3.34 0.00 1.43 1.65 0.71 0.04 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 0.00 142 T 8.03 3.68 4.30 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 1.12 0.00 0.00 143 A 8.10 3.89 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 I 7.59 3.61 1.93 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.49 0.92 0.00 0.00 145 E 8.42 3.83 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 2.24 2.31 0.00 146 M 8.45 3.84 0.00 1.66 2.06 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.70 0.00 147 A 7.89 3.86 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 0.00 148 S 7.95 4.24 0.00 3.85 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 0.00 149 L 8.41 4.02 0.00 1.86 2.04 0.94 1.19 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 0.00 150 F 8.84 4.42 0.00 3.43 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 E 7.98 5.20 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 2.41 2.37 0.00 152 H 7.84 4.89 0.00 3.38 3.68 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 9.00 4.47 0.00 3.33 3.71 0.00 5.96 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 7.38 3.98 0.00 1.74 1.63 0.85 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 155 K 7.53 4.12 0.00 1.82 1.69 0.00 1.53 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.27 1.50 7.81