NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4091 8.1927 115.2911 57.9646 63.9138 174.1619 4 S 4.0817 8.7266 122.2621 61.1596 62.2272 174.7909 5 I 3.7113 8.4796 123.3186 64.5055 37.3040 178.0358 6 R 3.8741 7.9500 118.8240 59.2913 29.8854 178.9776 7 E 4.0030 8.5009 118.6750 59.4075 29.3822 179.0609 8 E 3.9823 8.2401 119.4438 58.9724 29.6073 179.0628 9 V 3.5307 7.9397 118.7016 66.4463 31.7809 177.8835 10 H 4.2526 8.3062 116.0011 58.6468 28.4250 177.8351 11 R 3.9318 8.1485 120.8612 59.4378 29.9011 178.0961 12 H 4.0999 8.3678 118.1878 59.4043 29.7420 177.2539 13 L 4.0988 8.0053 119.5309 57.7005 41.3979 179.4525 14 G 3.7554 8.0359 105.2196 47.7335 0.0000 176.1655 15 T 3.9773 8.0120 118.1670 66.5032 68.5051 177.2499 16 V 3.6458 7.8904 113.8279 63.9417 31.5578 178.3165 17 A 4.0196 7.6359 119.5486 55.0759 17.8979 179.5789 18 L 4.0326 7.8872 116.7496 57.4610 41.6940 178.4802 19 M 4.5023 7.5833 116.2513 53.7070 32.2757 175.7910 20 Q 3.9391 7.3007 121.3497 55.6509 29.4312 174.7520 21 P 4.3550 0.0000 0.0000 63.1628 32.0097 175.2745 22 A 4.4135 8.0159 121.7147 51.6341 21.6790 176.5066 23 L 4.3133 8.2960 120.3539 53.6088 41.1491 176.3645 24 H 4.4159 8.5523 124.5358 54.7623 29.1786 174.6701 25 Q 4.3731 8.1445 129.3049 54.0468 28.6582 175.1440 26 Q 4.0634 8.4622 124.9924 55.8540 29.4418 176.1356 27 T 4.5444 8.2431 111.6434 60.3988 70.5394 174.3545 28 H 4.6334 8.4255 123.7035 54.7447 29.2904 173.1176 29 A 3.6901 8.0389 127.1398 52.3177 15.9773 175.5759 30 P 4.4074 0.0000 0.0000 61.5543 32.8880 177.1903 31 A 4.2372 8.5795 122.6061 51.3555 19.1773 177.0736 32 P 4.3033 0.0000 0.0000 65.9390 31.4769 178.9657 33 T 4.0598 7.8909 106.2672 63.5553 68.7805 174.4776 34 E 4.3586 8.2971 121.1172 56.2626 29.9059 175.6568 35 I 4.3723 7.5213 121.3436 59.7933 37.9353 176.3386 36 T 4.4001 8.2079 116.7810 60.9013 71.3776 174.9062 37 H 4.1942 8.6541 119.7290 59.6613 29.8695 177.0966 38 T 3.8445 7.9372 117.1857 66.6398 68.2881 176.4481 39 L 3.9279 7.8397 120.9822 57.4460 41.6791 179.1041 40 F 4.0946 8.5661 120.9690 61.5008 39.1196 177.2293 41 R 3.9212 8.1471 116.8095 59.3529 30.2765 178.0272 42 A 4.0432 7.8325 120.5741 55.2182 18.1057 179.2762 43 Y 4.2794 8.0879 115.2431 60.7543 38.0077 177.4015 44 T 4.3113 7.4075 108.3283 60.5242 69.3443 175.0602 45 R 3.9148 6.7101 116.9947 56.5671 30.1313 176.3755 46 V 3.9574 8.0315 118.5624 60.9135 31.5817 174.5106 47 P 4.0393 0.0000 0.0000 65.9941 31.1695 177.4706 48 H 4.4321 7.0002 111.3488 56.6947 28.7404 175.7565 49 D 4.5378 7.7800 121.2471 53.1798 39.3690 175.6950 50 V 4.7931 7.2061 113.6953 59.4214 33.2579 176.2410 51 G 3.8683 7.9756 109.8049 47.3076 0.0000 173.7804 52 G 4.0202 8.9568 113.0409 45.2054 0.0000 173.6833 53 E 4.0703 8.0572 119.9683 55.8278 30.0663 176.2206 54 A 4.3544 8.3681 126.1256 52.2463 19.0878 176.2292 55 D 4.6986 8.1853 120.3670 52.9257 44.5791 174.6654 56 V 4.1480 7.9267 115.8348 59.3600 33.1271 174.0520 57 P 4.5212 0.0000 0.0000 61.9639 31.9720 176.1686 58 I 4.3526 7.3685 114.5646 58.6009 40.3556 175.1719 59 E 3.9655 8.4118 123.3604 55.3908 28.5649 175.8143 60 Y 4.3075 8.0390 124.2863 58.4530 38.5064 175.8317 61 H 5.0557 8.3763 117.9423 53.7787 31.7537 172.6077 62 E 4.5789 8.4675 119.3430 54.9404 31.2567 175.6524 63 K 4.5934 8.0251 120.2465 54.4765 35.2638 175.9377 64 E 4.1063 8.6511 125.3936 56.2632 30.1020 176.4901 65 E 4.2109 8.3879 122.0650 56.1168 30.6356 177.3143 66 E 4.2536 8.9581 123.4281 55.5639 31.7706 178.1478 67 I 3.7221 8.3698 123.1812 64.4851 37.2558 178.8750 68 W 5.0883 8.3123 118.1762 59.0328 27.8925 178.1863 69 E 2.7726 6.8982 119.2336 58.6325 28.8187 178.7183 70 L 3.7359 7.3831 120.1153 58.2104 42.1576 178.8291 71 N 4.4644 8.2289 116.4498 56.4687 38.4055 177.6795 72 T 4.0562 8.0767 117.5297 66.4447 68.5982 176.4789 73 F 4.2575 8.1878 122.5465 61.4282 39.3532 176.9243 74 A 3.9124 8.1426 120.2443 55.4947 18.0869 179.7298 75 T 3.8822 8.0687 114.1220 67.1384 68.4375 176.7451 76 C 4.6279 8.5534 118.6766 63.0563 28.2185 176.0719 77 E 4.1041 8.3567 120.2848 59.4698 28.9457 179.1336 78 C 4.6722 8.5718 117.1836 62.7996 28.1357 176.0470 79 L 3.9106 8.4326 120.6746 57.6528 41.1605 179.4863 80 A 5.2007 8.2864 122.2007 54.4445 18.1862 179.2121 81 W 4.4643 8.6242 126.3187 60.8052 30.7527 177.5760 82 R 4.3720 8.0807 115.3915 55.8056 29.8249 177.1594 83 G 3.9906 7.9748 105.5309 46.2658 0.0000 175.7834 84 V 3.6726 8.2802 122.1660 65.0871 31.8154 175.7532 85 W 4.9408 7.9179 114.5087 55.0480 30.3826 172.9844 86 T 4.7880 8.6513 109.8776 59.9884 71.5112 175.4363 87 A 3.5761 8.2449 123.2426 55.3908 18.3175 179.8884 88 E 3.8107 7.9607 116.4676 59.5326 29.5416 179.2674 89 E 3.9409 7.7123 117.3666 59.1496 29.4812 179.3592 90 R 3.0735 7.1070 118.6407 59.1276 29.9213 178.7367 91 R 3.6306 7.8100 118.1658 59.0899 29.9736 178.9610 92 R 3.7407 7.7855 118.3096 59.4988 29.7763 178.8044 93 K 4.2257 7.8938 119.5598 58.8309 31.8724 179.2661 94 Q 4.2923 8.5763 121.4852 57.9858 28.4319 176.8527 95 N 4.9922 8.6063 115.4856 53.3397 39.2434 175.4307 96 C 4.1762 7.4795 115.8860 61.3780 30.9244 176.0660 97 D 4.4246 8.1902 119.0723 57.2026 40.4972 179.2178 98 V 3.7344 7.1134 111.4773 62.3146 31.8760 177.3601 99 G 4.1376 8.1495 105.2885 45.7514 0.0000 174.0469 100 Q 4.0379 8.8091 120.6387 59.7261 28.7590 179.3844 101 T 3.9311 7.9498 115.6322 66.9291 68.6671 176.6869 102 V 3.6205 7.8181 119.4594 66.0304 31.5297 176.9676 103 Y 4.2313 8.3516 119.5689 60.2889 38.3757 177.5259 104 L 4.5445 7.7216 116.8105 54.8606 43.1351 178.3131 105 G 3.8200 8.2989 105.5208 45.8516 0.0000 173.9907 106 M 4.5680 7.2020 119.2118 52.9781 33.9905 174.1224 107 P 4.5707 0.0000 0.0000 62.2821 32.1068 176.4332 108 Y 4.1989 8.6569 120.4866 62.2623 38.4973 178.4911 109 Y 4.3038 8.2041 116.6102 60.1781 38.0939 178.4439 110 G 3.9271 8.4953 107.6901 47.9382 0.0000 176.1265 111 R 4.1039 8.1567 120.5450 58.6594 30.0717 179.0138 112 W 4.5345 8.4422 119.7528 59.1689 29.1815 178.0724 113 L 4.1945 8.6355 120.0728 58.4231 41.6751 178.8634 114 L 4.0807 8.3126 119.0038 58.3840 41.7023 179.7732 115 T 4.1269 8.4286 115.2269 66.1985 67.8363 176.8925 116 A 3.9918 8.2757 123.0472 55.0156 18.2855 179.5081 117 A 3.9803 8.1348 119.3864 55.2505 18.4373 180.0182 118 R 3.8800 8.0539 116.6011 59.5594 30.1920 179.1518 119 I 3.7573 7.8166 118.2548 63.8926 37.7474 177.9005 120 L 4.0873 7.4869 119.1158 57.7322 41.4757 179.7275 121 V 3.8607 7.4665 119.4083 65.6222 31.3496 177.8525 122 D 4.4067 8.5017 117.5856 56.7321 40.6434 177.9518 123 K 4.2123 7.6777 116.3257 55.0140 32.3254 176.3195 124 Q 3.4130 7.6212 116.5015 56.9366 26.7633 175.2016 125 F 4.4897 8.0194 117.9201 59.6492 39.3916 176.5392 126 V 4.6880 7.3356 112.7978 58.8583 35.8029 174.4804 127 T 4.2188 8.9546 114.1879 60.9252 71.1693 175.8946 128 L 3.9073 8.2987 123.0443 58.5084 41.9719 179.4010 129 T 3.8282 7.7646 115.4332 66.6281 68.3893 176.2615 130 E 3.9721 8.3110 120.6756 59.1120 29.4221 179.2660 131 L 3.9269 7.8221 120.1749 58.5060 42.3152 178.6649 132 H 4.2584 8.4360 116.4875 59.0626 28.5822 177.5893 133 N 4.3542 8.5683 118.6033 56.2131 38.3303 177.4015 134 K 3.9366 8.3240 121.1900 59.4805 32.2503 178.9364 135 I 3.6807 7.8392 120.2233 64.2875 37.0104 178.5379 136 V 3.5908 7.7195 118.8826 66.0574 31.2761 177.9209 137 E 3.9616 8.3876 118.4552 59.5571 29.3070 179.0164 138 M 4.0189 8.2599 118.3247 58.6831 32.3092 178.4898 139 R 3.9150 8.0231 118.1441 59.4042 30.2083 178.9328 140 E 3.9701 8.3345 118.3818 59.2077 29.1784 179.3151 141 R 3.8578 8.0537 118.2790 59.4022 30.2925 178.4007 142 V 3.7229 7.8401 117.6185 66.1714 31.3723 177.9656 143 A 4.0313 7.9460 119.0979 54.8108 18.2724 179.2028 144 S 4.2986 8.1366 111.6873 59.6545 62.6944 175.4579 145 G 3.9302 7.9023 111.5443 45.4277 0.0000 174.6843 146 Q 3.7750 7.6299 120.1578 56.6391 29.2349 176.6833 147 G 3.9188 8.4754 104.3647 45.6620 0.0000 173.5103 148 L 4.4602 9.1813 120.6676 54.1448 43.6730 176.6987 149 G 3.6967 8.2279 119.6748 46.7490 0.0000 171.7016 150 E 4.3205 8.3013 122.6316 56.3378 30.0565 176.5380 151 Y 4.5205 7.9596 119.4474 59.7858 38.8960 175.5569 152 L 4.7251 7.6128 121.8186 52.6075 44.6062 173.3169 153 P 4.7087 0.0000 0.0000 61.5832 32.2101 174.5125 154 P 4.5667 0.0000 0.0000 63.2842 31.1725 176.1296 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 S 8.19 4.41 0.00 3.87 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 4 S 8.73 4.08 0.00 4.01 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 5 I 8.48 3.71 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.51 0.89 0.00 0.00 6 R 7.95 3.87 0.00 2.00 2.01 0.00 3.27 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 7 E 8.50 4.00 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 2.35 2.60 0.00 8 E 8.24 3.98 0.00 2.05 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 2.30 2.32 0.00 9 V 7.94 3.53 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 0.93 0.00 0.00 0.93 0.00 0.00 10 H 8.31 4.25 0.00 3.22 3.32 0.00 5.67 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 11 R 8.15 3.93 0.00 2.04 2.12 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 12 H 8.37 4.10 0.00 3.38 3.51 0.00 5.85 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 13 L 8.01 4.10 0.00 1.82 1.74 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.04 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 15 T 8.01 3.98 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 1.19 0.00 0.00 16 V 7.89 3.65 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 0.66 0.00 0.00 0.93 0.00 0.00 17 A 7.64 4.02 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 18 L 7.89 4.03 0.00 1.70 1.74 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 19 M 7.58 4.50 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 20 Q 7.30 3.94 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 21 P 0.00 4.36 0.00 2.08 1.98 0.00 3.77 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 22 A 8.02 4.41 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 23 L 8.30 4.31 0.00 1.65 1.67 0.93 1.05 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 24 H 8.55 4.42 0.00 3.08 3.27 0.00 5.90 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.14 4.37 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 26 Q 8.46 4.06 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.49 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 27 T 8.24 4.54 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 1.28 0.00 0.00 28 H 8.43 4.63 0.00 3.13 3.25 0.00 5.85 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 29 A 8.04 3.69 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 30 P 0.00 4.41 0.00 2.20 2.08 0.00 3.70 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 1.95 1.96 0.00 31 A 8.58 4.24 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 32 P 0.00 4.30 0.00 2.20 2.15 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 33 T 7.89 4.06 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 34 E 8.30 4.36 0.00 2.14 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 2.28 0.00 35 I 7.52 4.37 2.09 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.90 1.16 0.00 0.00 36 T 8.21 4.40 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 1.25 0.00 0.00 37 H 8.65 4.19 0.00 3.21 3.37 0.00 5.68 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 38 T 7.94 3.84 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 1.20 0.00 0.00 39 L 7.84 3.93 0.00 1.90 1.89 1.01 0.94 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 40 F 8.57 4.09 0.00 3.29 3.22 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 41 R 8.15 3.92 0.00 1.79 2.04 0.00 3.36 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 42 A 7.83 4.04 1.18 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 43 Y 8.09 4.28 0.00 2.88 2.80 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 44 T 7.41 4.31 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 0.46 0.00 0.00 45 R 6.71 3.91 0.00 1.97 2.14 0.00 3.09 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.52 0.00 46 V 8.03 3.96 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 0.78 0.00 0.00 0.90 0.00 0.00 47 P 0.00 4.04 0.00 1.66 1.81 0.00 3.51 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 2.08 2.01 0.00 48 H 7.00 4.43 0.00 3.41 3.36 0.00 5.57 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.78 4.54 0.00 2.66 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 50 V 7.21 4.79 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 1.21 0.00 0.00 1.00 0.00 0.00 51 G 7.98 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 52 G 8.96 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 0.00 0.00 0.00 53 E 8.06 4.07 0.00 2.17 1.89 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 2.33 2.34 0.00 54 A 8.37 4.35 1.24 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 0.00 0.00 0.00 55 D 8.19 4.70 0.00 2.61 2.51 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 56 V 7.93 4.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.90 0.00 0.00 57 P 0.00 4.52 0.00 1.97 1.90 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 58 I 7.37 4.35 1.69 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.27 0.82 0.00 0.00 59 E 8.41 3.97 0.00 1.87 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 0.00 2.27 2.30 0.00 60 Y 8.04 4.31 0.00 3.02 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 61 H 8.38 5.06 0.00 3.21 3.26 0.00 5.51 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.47 4.58 0.00 1.97 1.89 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 2.24 2.21 0.00 63 K 8.03 4.59 0.00 1.69 1.59 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.44 7.81 64 E 8.65 4.11 0.00 1.98 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 2.30 2.32 0.00 65 E 8.39 4.21 0.00 1.85 1.70 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 2.20 2.23 0.00 66 E 8.96 4.25 0.00 1.16 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 2.20 2.37 0.00 67 I 8.37 3.72 2.21 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.94 0.83 0.00 0.00 68 W 8.31 5.09 0.00 3.52 3.17 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 69 E 6.90 2.77 0.00 1.44 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 70 L 7.38 3.74 0.00 1.65 1.73 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.23 4.46 0.00 3.15 2.99 0.00 0.00 7.06 7.12 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 72 T 8.08 4.06 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 1.62 0.00 0.00 73 F 8.19 4.26 0.00 2.80 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 74 A 8.14 3.91 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 T 8.07 3.88 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 1.29 0.00 0.00 76 C 8.55 4.63 0.00 3.61 3.39 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 77 E 8.36 4.10 0.00 1.79 1.91 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 1.92 1.87 0.00 78 C 8.57 4.67 0.00 3.25 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.43 3.91 0.00 2.02 1.34 0.63 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.29 5.20 1.50 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 0.00 0.00 81 W 8.62 4.46 0.00 3.32 3.36 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 82 R 8.08 4.37 0.00 1.65 1.72 0.00 3.05 0.00 0.00 2.48 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.40 0.00 83 G 7.97 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 0.00 0.00 0.00 84 V 8.28 3.67 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 0.46 0.00 0.00 0.47 0.00 0.00 85 W 7.92 4.94 0.00 3.62 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 86 T 8.65 4.79 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 87 A 8.24 3.58 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 88 E 7.96 3.81 0.00 1.93 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 2.34 2.31 0.00 89 E 7.71 3.94 0.00 2.24 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 2.37 2.33 0.00 90 R 7.11 3.07 0.00 0.67 1.25 0.00 2.67 0.00 0.00 2.50 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.81 0.00 91 R 7.81 3.63 0.00 1.85 1.85 0.00 3.30 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.62 0.00 92 R 7.79 3.74 0.00 1.78 2.01 0.00 3.30 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 93 K 7.89 4.23 0.00 1.93 1.93 0.00 1.90 0.00 0.00 2.01 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.51 7.81 94 Q 8.58 4.29 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.67 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 95 N 8.61 4.99 0.00 2.76 2.88 0.00 0.00 6.81 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 96 C 7.48 4.18 0.00 2.97 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 D 8.19 4.42 0.00 3.00 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 98 V 7.11 3.73 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 1.11 0.00 0.00 99 G 8.15 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 0.00 0.00 0.00 100 Q 8.81 4.04 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.84 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 101 T 7.95 3.93 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 1.25 0.00 0.00 102 V 7.82 3.62 2.35 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 1.11 0.00 0.00 0.98 0.00 0.00 103 Y 8.35 4.23 0.00 3.26 3.22 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 0.00 104 L 7.72 4.54 0.00 1.63 1.68 1.02 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.30 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 0.00 106 M 7.20 4.57 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.68 0.00 107 P 0.00 4.57 0.00 2.46 2.14 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.18 0.00 108 Y 8.66 4.20 0.00 2.95 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Y 8.20 4.30 0.00 3.04 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 0.00 110 G 8.50 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 0.00 111 R 8.16 4.10 0.00 2.09 2.09 0.00 3.31 0.00 0.00 3.48 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.97 0.00 112 W 8.44 4.53 0.00 3.80 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 0.00 113 L 8.64 4.19 0.00 2.17 2.08 1.07 0.44 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 0.00 114 L 8.31 4.08 0.00 1.84 1.79 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.43 4.13 4.60 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 1.51 0.00 0.00 116 A 8.28 3.99 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.13 3.98 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.05 3.88 0.00 2.07 2.06 0.00 3.47 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 119 I 7.82 3.76 1.49 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 1.61 1.28 0.12 0.00 0.00 120 L 7.49 4.09 0.00 1.89 1.73 0.89 0.63 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 0.00 121 V 7.47 3.86 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 1.27 0.00 0.00 0.97 0.00 0.00 122 D 8.50 4.41 0.00 2.71 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 K 7.68 4.21 0.00 1.75 1.27 0.00 2.12 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.46 7.81 124 Q 7.62 3.41 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.43 7.02 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 125 F 8.02 4.49 0.00 3.13 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 0.00 126 V 7.34 4.69 2.09 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 0.84 0.00 0.00 0.96 0.00 0.00 127 T 8.95 4.22 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 1.19 0.00 0.00 128 L 8.30 3.91 0.00 1.71 1.62 0.83 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.76 3.83 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 130 E 8.31 3.97 0.00 2.16 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 2.31 0.00 131 L 7.82 3.93 0.00 1.78 1.81 0.93 0.94 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 0.00 132 H 8.44 4.26 0.00 3.34 3.30 0.00 5.69 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 0.00 133 N 8.57 4.35 0.00 2.86 2.87 0.00 0.00 6.68 7.63 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 0.00 134 K 8.32 3.94 0.00 1.94 2.01 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 135 I 7.84 3.68 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.98 0.89 0.00 0.00 136 V 7.72 3.59 2.25 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 1.03 0.00 0.00 0.97 0.00 0.00 137 E 8.39 3.96 0.00 2.22 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 2.33 2.48 0.00 138 M 8.26 4.02 0.00 2.11 2.22 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 2.60 2.63 0.00 139 R 8.02 3.92 0.00 2.07 1.95 0.00 3.16 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 140 E 8.33 3.97 0.00 2.15 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 2.58 0.00 141 R 8.05 3.86 0.00 1.95 2.14 0.00 3.35 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.65 0.00 142 V 7.84 3.72 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.95 0.00 0.00 143 A 7.95 4.03 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 0.00 144 S 8.14 4.30 0.00 4.04 4.13 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 0.00 145 G 7.90 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 0.00 146 Q 7.63 3.77 0.00 1.99 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.48 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 147 G 8.48 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 0.00 148 L 9.18 4.46 0.00 1.70 1.63 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.23 3.70 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 0.00 0.00 0.00 150 E 8.30 4.32 0.00 1.90 1.89 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 1.76 1.62 0.00 151 Y 7.96 4.52 0.00 3.30 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 0.00 152 L 7.61 4.73 0.00 1.73 1.54 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.71 0.00 2.22 2.04 0.00 3.85 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 154 P 0.00 4.57 0.00 2.20 2.24 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00