NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 3.8653 8.0549 120.3825 62.6024 32.5615 174.4989 4 I 4.2042 8.3331 128.0719 58.2212 38.0785 173.9671 5 N 5.0298 8.3154 121.4260 52.2952 39.4590 173.8601 6 T 4.5752 7.6849 109.5810 60.7062 71.9331 175.1782 7 F 4.1912 8.3861 120.8220 61.2478 39.0107 177.8320 8 D 4.5561 8.3493 117.9543 57.2085 40.7361 178.9843 9 G 3.6260 8.2820 106.3914 47.8578 0.0000 176.0624 10 V 3.6913 8.2807 121.0887 65.4250 31.5594 177.8985 11 A 4.1000 8.3583 120.7784 55.4175 18.2845 179.3818 12 D 4.3149 8.3848 117.4151 57.6010 40.8678 178.4187 13 Y 4.0363 8.2273 119.9927 60.6660 38.7698 177.9494 14 L 4.1352 8.4760 120.3309 58.1841 41.5632 179.7127 15 Q 3.7302 7.9068 116.3931 58.7442 28.6021 178.7627 16 T 3.6101 7.4172 116.1611 66.1200 67.8466 175.8904 17 Y 4.3072 7.6325 116.6284 56.7761 38.7048 175.8725 18 H 3.0115 8.1608 116.3586 55.6176 26.6934 174.3441 19 K 4.6474 7.1445 112.4248 55.9813 35.4032 174.9528 20 L 4.1992 8.3331 119.6619 53.6092 42.5315 175.5531 21 P 3.7888 0.0000 0.0000 62.5754 31.6859 177.1853 22 D 4.6201 8.3358 118.8362 55.8995 40.9486 176.9050 23 N 4.5579 7.9188 116.5573 53.0642 37.9250 173.6015 24 Y 5.0936 7.5129 116.8015 56.6814 39.9239 175.1579 25 I 5.0013 8.6437 115.8690 59.1597 41.5891 174.9608 26 T 4.5934 8.9220 114.2499 60.7743 69.9610 175.5864 27 K 3.8503 9.1830 121.9733 59.9931 32.0423 179.9463 28 S 4.5222 7.9922 116.1065 61.0767 62.6252 176.3924 29 E 4.0126 8.3946 121.1882 59.2909 29.1689 179.2889 30 A 4.0421 8.3452 121.0641 55.3402 18.1433 179.5899 31 Q 4.4128 9.0634 118.1431 58.6906 28.5947 179.1571 32 A 4.1934 8.0764 120.5253 54.5053 18.4975 178.7440 33 L 4.3510 7.3788 115.5023 54.9395 42.1014 177.5820 34 G 4.1033 7.9312 107.2102 44.6259 0.0000 173.9758 35 W 4.4732 8.6459 131.1058 57.2136 31.3528 174.9763 36 V 3.8866 8.3341 124.1880 60.4361 33.6272 175.4041 37 A 3.6845 7.7360 130.6504 55.4118 18.0410 179.1425 38 S 4.5272 7.8701 106.3720 59.7912 63.1196 174.6586 39 K 4.2789 8.1627 120.3419 55.8053 32.8625 176.8780 40 G 2.8531 7.5185 106.5672 46.2238 0.0000 173.6622 41 N 5.0870 7.9115 113.4961 51.3347 38.0103 176.1446 42 L 3.9321 8.3522 122.7419 58.8258 41.8844 178.8987 43 A 4.3591 8.0600 119.8438 54.2336 19.0324 179.1423 44 D 4.3767 8.1240 116.2116 57.2352 41.1208 178.7100 45 V 4.0275 7.6239 109.7362 62.6220 32.6196 176.6570 46 A 4.6674 8.0770 122.6370 49.2904 19.0629 173.0391 47 P 4.5549 0.0000 0.0000 62.7131 32.2491 177.7553 48 G 3.8417 8.8051 109.9167 45.5455 0.0000 173.2010 49 K 4.6223 7.6143 118.7220 55.2227 34.2513 175.9197 50 S 4.5752 8.3603 116.3092 56.4435 67.5311 173.9733 51 I 4.0914 7.9772 123.4404 61.6285 37.8701 175.3637 52 G 4.1719 9.4626 112.3755 46.7032 0.0000 174.3241 53 G 4.6710 9.6270 109.3674 44.4916 0.0000 174.0139 54 D 4.7524 7.9465 119.4796 53.5347 42.5862 175.8330 55 I 4.2311 8.3323 121.9648 61.7161 37.1662 175.1912 56 F 4.8616 9.0483 129.9118 56.3771 40.2856 176.7543 57 S 3.9896 8.2853 121.5882 59.1975 63.3288 173.6023 58 N 3.6690 5.7700 115.5645 53.8403 37.6282 176.1968 59 R 3.7911 7.8540 116.8131 59.1701 28.8764 178.0490 60 E 4.0407 8.1074 115.1318 56.6723 29.7736 177.7255 61 G 3.9661 7.9504 106.7809 46.3551 0.0000 175.3020 62 K 4.1175 7.5149 119.5725 57.7827 32.4109 177.5001 63 L 3.9764 7.1538 118.3937 51.6607 42.9688 174.6268 64 P 4.3989 0.0000 0.0000 62.7425 31.9550 175.9492 65 G 4.3796 8.3433 109.7543 43.9623 0.0000 172.0238 66 K 4.4901 8.0045 117.5554 54.9995 35.1820 175.0675 67 S 4.1845 8.4802 114.7400 60.2435 62.4146 174.7748 68 G 3.8702 8.9626 115.6783 44.9813 0.0000 172.6452 69 R 4.3159 7.6540 120.9180 55.1420 31.0146 175.6346 70 T 4.6483 8.3749 116.3707 59.6960 72.1073 173.0798 71 W 5.0826 8.5321 121.6507 55.1104 32.5423 174.8820 72 R 5.1988 8.7796 121.6197 54.2957 34.2543 173.9202 73 E 5.4684 8.9681 117.2570 55.0157 33.5609 174.3843 74 A 5.0241 8.9203 120.7522 50.5108 23.1051 175.4188 75 D 4.9683 9.3419 121.3903 54.4461 41.4156 176.1258 76 I 4.4162 8.3408 122.9603 60.1482 40.4573 175.8046 77 N 4.5138 8.8325 121.5519 54.2022 36.3782 173.6139 78 Y 4.3509 7.3627 120.2516 57.2404 39.7284 175.1069 79 T 3.9800 7.4627 115.1803 62.5539 70.6218 173.8102 80 S 4.2254 6.4135 112.4624 58.1262 65.8963 175.2074 81 G 3.8186 8.5370 107.0733 44.8370 0.0000 173.3617 82 F 4.4141 8.5943 119.0359 57.1340 39.7336 175.4606 83 R 4.2554 8.6984 122.1466 56.4673 30.5995 176.7697 84 N 4.9432 8.5260 118.4106 52.1506 40.0315 174.9075 85 S 4.6410 8.5236 112.7547 58.6877 64.5971 172.7257 86 D 5.5368 8.4802 121.9519 53.3789 42.5179 175.7839 87 R 4.9438 9.2256 121.7996 54.6005 35.1574 173.7768 88 I 5.0369 8.9292 123.0765 59.6522 40.4890 174.1455 89 L 5.5665 9.4337 129.0458 53.1459 44.8341 175.0509 90 Y 5.6939 9.2389 121.9117 55.4274 41.5779 175.0493 91 S 4.4175 8.2760 117.3381 56.1295 65.3901 175.2519 92 S 3.4245 7.8992 114.7564 60.1896 62.7388 174.7684 93 D 4.5632 7.3781 118.9555 52.5587 39.3993 176.2107 94 W 3.7985 7.4096 118.5548 57.9465 26.9820 174.0357 95 L 4.5232 7.7187 118.0295 54.9641 42.6731 176.2276 96 I 5.4837 8.6854 121.5661 60.0851 40.8177 174.3230 97 Y 5.3378 9.8290 124.0488 55.9957 42.2942 174.4109 98 K 5.3161 9.2754 119.2451 55.6510 36.5655 175.0580 99 T 4.7512 9.0291 115.2227 60.4392 70.8195 174.1086 100 T 5.0787 8.7427 115.4586 60.5249 69.6425 173.5474 101 D 4.6485 7.2486 120.8181 53.2826 40.4673 175.1015 102 A 3.1863 8.6459 118.0648 54.5770 16.1019 178.4074 103 Y 3.4215 7.5445 114.7903 58.1460 36.7185 171.3578 104 Q 4.2424 7.5677 119.2078 57.9643 29.2231 176.4419 105 T 4.6896 7.8765 105.5029 59.7052 71.8828 172.8785 106 F 5.2059 8.5627 120.1460 56.1383 43.2285 174.2509 107 T 4.6904 8.8824 117.6645 61.4177 71.7683 173.3809 108 K 3.3021 8.5837 128.2343 56.0646 32.3362 176.2457 109 I 4.5204 8.5991 119.7280 60.7091 39.5392 175.7145 110 R 4.7439 7.5635 121.2741 54.7042 34.5220 174.9069 111 S 4.6492 8.7189 118.8790 58.1575 64.0033 173.9697 112 S 4.5637 9.0043 116.3564 58.5241 62.4606 174.1561 113 S 4.6148 8.9131 119.8729 58.1140 63.5354 173.2389 114 M 4.3559 7.8953 122.5231 57.1300 32.2102 176.4177 115 G 3.9422 9.1565 114.3909 45.1232 0.0000 172.7080 116 V 4.1578 7.4723 119.5608 60.9511 32.9160 174.1356 117 C 4.4888 8.5473 127.2740 54.6011 43.9520 171.3502 118 P 4.2963 0.0000 0.0000 62.6095 31.3754 177.0945 119 K 4.2462 8.2799 122.4185 55.3210 30.7669 175.3686 120 I 4.4773 7.6735 122.5200 58.7877 40.3757 175.3105 121 L 4.1487 8.5692 128.1568 54.8328 42.5563 175.8930 122 K 4.6922 8.5142 126.4296 54.9565 35.6253 175.2106 123 K 4.1245 8.6907 127.0183 56.6619 33.1223 175.0433 124 C 4.9035 8.7640 116.6464 54.6353 44.9852 174.6215 125 R 4.3098 9.2378 118.2848 56.2195 31.8209 175.8544 126 R 4.6229 7.5216 112.9025 54.7674 32.4083 175.5085 127 D 4.3810 8.6774 118.0768 57.4231 40.8276 178.8386 128 S 4.3388 7.8970 111.3653 59.9321 63.2355 174.5410 129 D 4.4922 8.0396 120.5683 55.8376 40.8458 175.3498 130 C 4.9654 7.6082 116.2886 54.3802 42.7817 173.5656 131 L 4.0984 8.1096 120.8223 54.3510 41.8492 176.8300 132 A 4.1472 8.0068 123.2407 53.9502 18.5649 178.4768 133 G 3.9526 8.9796 110.1158 45.1421 0.0000 173.8151 134 C 5.2382 7.7356 116.2292 55.2225 43.3512 173.6293 135 V 4.6606 8.6978 114.4199 59.5290 35.6789 173.8736 136 C 4.7061 9.4573 123.7013 55.6948 44.7151 174.0166 137 G 3.9789 9.0517 116.4516 44.0187 0.0000 172.3232 138 P 4.2382 0.0000 0.0000 65.0822 31.1922 176.9525 139 N 4.5934 8.2323 114.5696 52.7618 37.8471 175.2806 140 G 3.8024 8.5526 107.9169 47.2861 0.0000 172.9460 141 F 5.2172 8.1098 116.3133 55.1387 43.1686 174.0490 142 C 4.9085 9.2301 119.4906 57.5007 39.1208 173.3266 143 G 3.9421 8.6883 108.3855 45.6948 0.0000 173.6744 144 S 4.3538 8.6963 113.6949 58.5701 62.4038 173.8309 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 V 8.05 3.87 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 0.88 0.00 0.00 0.85 0.00 0.00 4 I 8.33 4.20 1.73 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 1.47 0.82 0.92 0.00 0.00 5 N 8.32 5.03 0.00 2.77 2.83 0.00 0.00 5.88 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 6 T 7.68 4.58 4.27 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 0.00 0.00 1.21 0.00 0.00 7 F 8.39 4.19 0.00 3.16 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 8 D 8.35 4.56 0.00 2.76 2.78 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 9 G 8.28 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 10 V 8.28 3.69 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 0.92 0.00 0.00 1.10 0.00 0.00 11 A 8.36 4.10 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.38 4.31 0.00 2.77 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 13 Y 8.23 4.04 0.00 3.24 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 14 L 8.48 4.14 0.00 1.97 1.83 0.59 0.45 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 15 Q 7.91 3.73 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.98 0.00 0.00 0.00 0.00 0.00 2.52 2.66 0.00 16 T 7.42 3.61 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 0.05 0.00 0.00 17 Y 7.63 4.31 0.00 2.61 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 18 H 8.16 3.01 0.00 3.12 3.37 0.00 5.71 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.14 4.65 0.00 1.94 1.87 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.62 1.63 7.81 20 L 8.33 4.20 0.00 1.68 1.52 0.81 0.42 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 21 P 0.00 3.79 0.00 2.27 1.33 0.00 3.49 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.40 0.00 22 D 8.34 4.62 0.00 2.62 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 23 N 7.92 4.56 0.00 2.77 2.88 0.00 0.00 6.14 7.57 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 24 Y 7.51 5.09 0.00 3.05 2.93 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 25 I 8.64 5.00 1.95 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 1.19 1.19 0.90 0.00 0.00 26 T 8.92 4.59 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 27 K 9.18 3.85 0.00 2.00 2.18 0.00 2.00 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.37 1.69 7.81 28 S 7.99 4.52 0.00 3.92 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 29 E 8.39 4.01 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 2.36 0.00 30 A 8.35 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 31 Q 9.06 4.41 0.00 2.37 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.48 2.86 0.00 32 A 8.08 4.19 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.38 4.35 0.00 1.83 1.76 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.93 4.10 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 0.00 0.00 0.00 35 W 8.65 4.47 0.00 3.33 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 36 V 8.33 3.89 1.88 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 0.81 0.00 0.00 0.86 0.00 0.00 37 A 7.74 3.68 1.11 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 0.00 0.00 38 S 7.87 4.53 0.00 4.03 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 39 K 8.16 4.28 0.00 1.93 1.84 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.30 7.81 40 G 7.52 2.85 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 41 N 7.91 5.09 0.00 2.89 2.99 0.00 0.00 6.36 6.67 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 42 L 8.35 3.93 0.00 1.39 1.66 0.53 0.26 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 43 A 8.06 4.36 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 44 D 8.12 4.38 0.00 2.91 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.62 4.03 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 0.74 0.00 0.00 1.18 0.00 0.00 46 A 8.08 4.67 1.19 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 47 P 0.00 4.55 0.00 2.03 2.00 0.00 3.79 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 48 G 8.81 3.84 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 0.00 0.00 0.00 49 K 7.61 4.62 0.00 1.66 1.69 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.73 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.63 1.50 7.81 50 S 8.36 4.58 0.00 3.00 3.57 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 0.00 0.00 0.00 51 I 7.98 4.09 1.80 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.05 0.79 0.00 0.00 52 G 9.46 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 0.00 0.00 0.00 53 G 9.63 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.95 4.75 0.00 2.69 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 55 I 8.33 4.23 1.87 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 1.22 0.72 0.94 0.00 0.00 56 F 9.05 4.86 0.00 3.09 2.96 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 57 S 8.29 3.99 0.00 3.81 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 58 N 5.77 3.67 0.00 2.75 2.71 0.00 0.00 7.03 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 59 R 7.85 3.79 0.00 1.71 1.90 0.00 3.16 0.00 0.00 3.11 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.40 0.00 60 E 8.11 4.04 0.00 2.08 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 2.40 2.31 0.00 61 G 7.95 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 62 K 7.51 4.12 0.00 1.91 2.08 0.00 2.04 0.00 0.00 2.02 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.49 7.81 63 L 7.15 3.98 0.00 0.65 0.13 -0.82 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.40 0.00 2.29 2.12 0.00 3.09 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.14 0.00 65 G 8.34 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 0.00 0.00 0.00 0.00 66 K 8.00 4.49 0.00 1.89 1.87 0.00 1.51 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.37 7.81 67 S 8.48 4.18 0.00 3.83 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 68 G 8.96 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 69 R 7.65 4.32 0.00 1.65 1.88 0.00 3.21 0.00 0.00 2.53 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.00 0.00 70 T 8.37 4.65 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 1.12 0.00 0.00 71 W 8.53 5.08 0.00 3.49 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 72 R 8.78 5.20 0.00 0.67 1.39 0.00 2.95 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.27 0.00 73 E 8.97 5.47 0.00 2.14 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 2.44 2.36 0.00 74 A 8.92 5.02 0.97 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 75 D 9.34 4.97 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 76 I 8.34 4.42 1.27 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.91 -0.40 0.00 0.00 77 N 8.83 4.51 0.00 2.79 2.88 0.00 0.00 6.91 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 78 Y 7.36 4.35 0.00 2.85 2.79 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 79 T 7.46 3.98 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 1.07 0.00 0.00 80 S 6.41 4.23 0.00 3.86 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.54 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.59 4.41 0.00 3.17 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 83 R 8.70 4.26 0.00 1.95 1.92 0.00 3.13 0.00 0.00 3.49 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.63 0.00 84 N 8.53 4.94 0.00 2.86 2.96 0.00 0.00 5.99 7.64 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 85 S 8.52 4.64 0.00 3.94 4.10 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 86 D 8.48 5.54 0.00 2.92 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 9.23 4.94 0.00 1.59 1.79 0.00 3.50 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.03 0.00 88 I 8.93 5.04 2.09 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.88 1.09 0.00 0.00 89 L 9.43 5.57 0.00 1.62 1.51 0.52 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.24 5.69 0.00 3.00 3.12 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 91 S 8.28 4.42 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 S 7.90 3.42 0.00 3.74 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 93 D 7.38 4.56 0.00 2.75 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 94 W 7.41 3.80 0.00 3.67 3.44 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 95 L 7.72 4.52 0.00 1.68 2.04 1.12 0.76 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 96 I 8.69 5.48 2.01 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.21 1.13 0.00 0.00 97 Y 9.83 5.34 0.00 2.79 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 98 K 9.28 5.32 0.00 1.20 1.66 0.00 0.68 0.00 0.00 1.23 0.00 0.00 2.22 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.07 7.81 99 T 9.03 4.75 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 100 T 8.74 5.08 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 1.19 0.00 0.00 101 D 7.25 4.65 0.00 2.80 2.77 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 0.00 0.00 0.00 0.00 102 A 8.65 3.19 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 0.00 103 Y 7.54 3.42 0.00 3.23 3.37 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 0.00 104 Q 7.57 4.24 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 105 T 7.88 4.69 4.20 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 1.20 0.00 0.00 106 F 8.56 5.21 0.00 2.90 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 0.00 107 T 8.88 4.69 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 1.13 0.00 0.00 108 K 8.58 3.30 0.00 1.00 1.43 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.16 0.81 7.81 109 I 8.60 4.52 1.85 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 1.24 0.90 0.80 0.00 0.00 110 R 7.56 4.74 0.00 1.79 1.85 0.00 3.32 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 111 S 8.72 4.65 0.00 3.78 3.84 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 S 9.00 4.56 0.00 3.94 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 0.00 113 S 8.91 4.61 0.00 4.01 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 0.00 114 M 7.90 4.36 0.00 2.13 2.41 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.59 0.00 115 G 9.16 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 0.00 0.00 0.00 116 V 7.47 4.16 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 0.76 0.00 0.00 0.93 0.00 0.00 117 C 8.55 4.49 0.00 3.10 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 0.00 118 P 0.00 4.30 0.00 1.89 1.76 0.00 3.58 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.88 0.00 119 K 8.28 4.25 0.00 1.71 1.76 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.42 7.81 120 I 7.67 4.48 1.84 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 1.28 0.53 0.93 0.00 0.00 121 L 8.57 4.15 0.00 1.58 1.61 0.77 0.53 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 0.00 122 K 8.51 4.69 0.00 1.90 1.61 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.52 7.81 123 K 8.69 4.12 0.00 1.51 1.40 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.68 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.52 1.29 7.81 124 C 8.76 4.90 0.00 3.03 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 0.00 125 R 9.24 4.31 0.00 1.72 1.94 0.00 3.14 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.00 126 R 7.52 4.62 0.00 1.93 1.97 0.00 2.96 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 127 D 8.68 4.38 0.00 2.72 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 0.00 128 S 7.90 4.34 0.00 3.97 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.04 4.49 0.00 2.81 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 0.00 130 C 7.61 4.97 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 0.00 131 L 8.11 4.10 0.00 1.58 1.41 0.73 0.70 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 0.00 132 A 8.01 4.15 0.98 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 0.00 0.00 133 G 8.98 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 0.00 134 C 7.74 5.24 0.00 2.93 2.96 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 0.00 135 V 8.70 4.66 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 0.75 0.00 0.00 1.00 0.00 0.00 136 C 9.46 4.71 0.00 2.98 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 0.00 137 G 9.05 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 P 0.00 4.24 0.00 2.20 2.21 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 139 N 8.23 4.59 0.00 3.00 3.04 0.00 0.00 6.09 7.00 0.00 0.00 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 G 8.55 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 F 8.11 5.22 0.00 3.15 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 0.00 142 C 9.23 4.91 0.00 2.88 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 0.00 143 G 8.69 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 0.00 0.00 0.00 144 S 8.70 4.35 0.00 3.83 3.75 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