NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.5383 8.3149 120.1387 56.7489 33.5813 174.8887 6 C 4.3710 8.4582 116.5500 59.1857 30.2190 170.8656 7 N 4.3205 8.8301 120.5076 52.6697 35.3755 173.4729 8 L 4.2812 8.0746 121.5548 56.1595 42.1908 178.0605 9 Q 4.1054 7.8226 118.2977 57.3634 29.6448 175.9695 10 G 3.9828 8.8602 105.9567 44.0285 0.0000 171.7886 11 Q 5.0196 7.9269 117.6019 54.1136 30.8657 175.3897 12 W 5.4793 9.1741 122.0595 55.0129 34.0711 174.3044 13 R 5.9576 9.6809 117.7500 53.7184 32.9605 174.3687 14 N 5.4308 8.3458 117.8386 50.3237 40.0721 175.4480 15 K 4.0689 8.5708 117.0294 59.2761 32.1941 178.5549 16 L 4.1080 7.7942 117.2413 55.9249 41.6896 177.9912 17 G 4.0369 8.2501 107.0230 44.7566 0.0000 173.9946 18 S 4.5856 8.0978 115.8295 58.6060 64.5824 172.5205 19 N 5.3223 9.0452 121.7395 51.8103 41.3337 172.6847 20 L 4.5964 8.8812 128.9758 53.2572 44.4347 174.8672 21 I 4.8962 8.7004 127.1116 59.5665 40.5620 174.3480 22 I 4.3766 8.4891 128.3216 59.8341 38.3979 176.4693 23 E 4.0496 9.2506 128.3588 59.1769 29.9987 177.3227 24 S 4.6491 7.6504 111.2924 57.1609 66.0718 173.3489 25 V 4.8101 8.2213 124.2066 61.4328 34.0176 175.4627 26 S 4.6971 9.2010 124.7036 57.0208 64.2262 175.1983 27 Q 4.0475 8.5400 119.3385 58.5648 28.3845 176.7107 28 N 4.6295 8.2316 114.6977 52.6929 37.9470 175.8738 29 G 4.3372 8.4834 108.6057 46.4449 0.0000 173.1887 30 E 4.4536 8.6434 122.1302 56.1179 30.8593 175.5395 31 F 5.7662 8.8368 120.5535 54.4458 42.1332 173.2663 32 T 4.9857 8.4347 108.3621 60.2593 72.6963 173.6759 33 G 3.8295 7.6536 107.8237 46.3353 0.0000 171.9770 34 T 5.2180 7.9220 110.0144 60.3196 73.2071 172.5529 35 Y 4.9901 9.2830 123.0488 55.8267 42.5306 173.6438 36 F 5.0760 9.1315 129.1806 56.6599 41.5962 174.0684 37 T 4.7117 8.4286 121.1817 61.7763 68.0279 174.6702 38 S 4.6450 8.8292 123.3558 59.3169 63.5270 174.7280 39 V 4.5308 7.5577 113.2154 59.6026 35.0368 174.6566 40 S 4.4786 7.9985 115.5811 57.0350 65.9452 174.2612 41 L 4.0557 8.2327 120.6772 57.7225 41.7017 178.1330 42 T 4.1139 7.5749 110.8763 62.1256 67.8624 173.4265 43 N 4.7241 8.3922 120.6971 53.2115 39.2084 176.0592 44 S 4.3331 7.6963 115.0074 58.1557 63.5024 174.2750 45 T 3.8246 8.2469 119.7274 63.6219 68.5295 174.6396 46 I 2.2397 7.8526 127.7593 60.7868 37.6802 175.6224 47 R 4.9391 7.5085 122.2160 53.8402 33.9382 175.0617 48 I 4.3081 8.8011 120.4376 62.7320 37.7717 175.6137 49 S 5.0298 9.2135 121.5469 55.9965 66.9837 172.0274 50 P 5.0945 0.0000 0.0000 62.6690 33.1636 174.7691 51 L 5.6832 8.6044 119.7886 53.7324 44.4323 174.9256 52 T 4.7079 8.0511 113.2633 61.0201 71.3954 173.2797 53 G 3.8510 7.4352 111.8007 46.3148 0.0000 171.4039 54 Y 5.5463 8.2128 116.3306 56.3757 42.6406 174.6279 55 Q 5.4974 9.6126 120.4691 54.2073 32.2007 175.0387 56 K 4.3059 8.8424 120.2526 55.8555 32.8571 177.8505 57 L 4.5829 8.1130 124.0789 54.7713 41.5096 175.1077 58 T 4.6581 7.1768 108.6538 58.9454 72.2124 173.1975 59 E 4.0989 8.5906 122.1184 57.5419 30.5445 176.3988 60 K 4.1369 8.8664 122.0926 55.6986 29.5677 173.4018 61 P 4.6406 0.0000 0.0000 62.4665 33.1997 178.1164 62 T 4.7429 8.5192 113.1896 61.7967 70.9706 172.9149 63 F 5.4010 8.1827 116.0745 56.7163 41.7770 172.8584 64 G 4.8668 9.6912 106.1778 45.4773 0.0000 171.6781 65 F 5.4546 9.0348 115.2447 56.0856 42.0498 172.8725 66 T 5.0881 9.0632 116.2356 61.8259 71.5876 173.2766 67 V 4.3970 8.8764 125.8495 61.5640 33.6790 174.3387 68 H 4.8391 8.4621 129.1245 53.8916 28.7497 173.2358 69 W 4.3257 7.6386 120.3183 56.6704 29.1432 176.1062 70 A 4.2534 9.1952 127.2687 53.2567 18.3453 177.6574 71 F 5.0098 7.2799 108.4527 55.9131 38.9947 174.2069 72 S 4.5444 7.2545 114.2175 57.9323 65.4652 173.1627 73 D 4.7260 8.4357 118.2484 54.6042 40.8202 177.0021 74 S 4.8722 7.6762 116.4294 58.1657 64.9329 173.1426 75 I 4.9904 8.6776 120.7633 60.1431 41.6255 174.7851 76 T 5.0912 8.4001 120.9185 61.8678 72.4999 173.3231 77 V 4.9872 8.5303 118.0598 59.3917 35.1733 174.7561 78 W 5.3185 8.8500 123.1663 55.2738 32.9273 174.4105 79 T 4.8592 8.8792 116.8131 61.0667 71.0389 173.4482 80 G 4.2112 7.3528 111.7284 46.3847 0.0000 171.5119 81 Q 4.9181 8.3474 119.7168 54.5846 33.1660 174.2414 82 C 5.1512 8.8913 126.0264 58.5009 33.3819 172.3771 83 F 5.4048 9.2453 123.5108 55.7840 43.4972 173.3589 84 L 5.1878 8.6056 119.9169 53.4778 43.1926 177.3891 85 N 4.7730 8.9843 121.8136 51.9583 39.3140 175.0187 86 E 3.9338 8.9963 116.8044 60.1178 29.3339 178.6703 87 K 4.1449 8.1647 113.9825 56.6936 32.4038 177.6996 88 G 3.9432 8.1831 107.3753 45.7195 0.0000 173.4339 89 E 4.4784 8.4528 119.3580 54.9795 30.6762 175.5710 90 E 4.8494 8.6029 121.9202 56.6255 30.5708 176.3900 91 I 5.1001 9.0766 123.7258 59.7389 42.1315 174.0656 92 L 5.0731 9.0261 126.4787 53.5051 43.9150 175.2024 93 H 5.3811 9.2489 122.7965 55.1582 30.1636 174.7892 94 T 5.4352 9.2936 113.1719 60.3034 72.6290 172.7632 95 M 5.3922 9.1282 121.6780 53.4128 36.5234 174.5560 96 W 5.4189 8.3629 117.0355 54.7596 32.4063 173.7534 97 L 5.2400 8.7583 120.5597 52.9194 44.7177 175.1799 98 L 4.9108 9.2659 126.3902 53.4167 44.2870 174.8358 99 R 4.9509 9.1870 128.7027 55.2474 31.3300 175.3391 100 S 5.0195 8.6727 121.7522 56.6937 65.4675 173.9213 101 S 4.3395 8.4808 116.7289 58.1591 62.3994 173.5945 102 Q 4.4668 8.5002 126.3695 54.7509 30.0622 176.0563 103 E 4.1676 8.6269 120.4202 58.7792 30.1434 177.3490 104 K 4.6724 7.5313 115.4752 54.7873 35.9428 176.2951 105 E 3.9495 9.0005 121.1023 59.4702 29.5420 179.0654 106 Q 4.1433 8.1415 114.8058 58.4656 28.8801 176.4266 107 D 4.7921 8.1875 118.0705 53.9502 41.4561 177.4859 108 N 4.2636 8.3976 121.1866 56.3196 39.0144 176.9613 109 W 4.2940 8.3795 114.1771 59.2885 28.0817 176.6178 110 T 3.5587 6.6499 107.0896 61.6826 68.5577 175.3468 111 G 3.7657 8.0054 111.4529 46.2998 0.0000 173.1887 112 T 4.9638 7.5025 116.1420 61.8796 71.4462 173.6613 113 R 4.7787 9.0947 126.2744 54.7536 32.7002 175.9055 114 V 4.3801 7.6845 119.8242 60.2555 34.8691 174.5267 115 G 3.0535 6.2059 106.8903 45.5029 0.0000 171.6239 116 A 5.2642 8.3144 120.2678 50.3247 22.1867 175.4404 117 N 5.2217 9.4252 116.5382 52.2722 43.8403 173.5184 118 T 5.3602 8.5759 117.5088 62.0897 71.4820 173.2778 119 F 5.3406 9.5633 124.9329 56.1268 41.9851 174.8128 120 T 5.5136 9.0443 111.8196 59.7220 72.6775 173.2496 121 R 4.1727 8.5210 120.1526 55.5365 31.0501 176.9725 122 L 4.0656 8.0813 121.4675 54.7414 42.3029 177.4653 123 S 4.2527 8.5811 116.7587 58.5654 62.3635 173.5370 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 5 K 8.31 4.54 0.00 1.78 1.84 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.49 7.81 6 C 8.46 4.37 0.00 3.02 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 7 N 8.83 4.32 0.00 2.88 2.97 0.00 0.00 7.32 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 8 L 8.07 4.28 0.00 1.31 1.10 0.22 0.59 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 9 Q 7.82 4.11 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.48 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 10 G 8.86 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 11 Q 7.93 5.02 0.00 1.75 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 12 W 9.17 5.48 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 13 R 9.68 5.96 0.00 1.89 2.04 0.00 3.05 0.00 0.00 3.35 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 14 N 8.35 5.43 0.00 2.50 1.59 0.00 0.00 6.75 7.24 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 15 K 8.57 4.07 0.00 1.80 1.95 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.47 7.81 16 L 7.79 4.11 0.00 1.91 1.79 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.25 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 18 S 8.10 4.59 0.00 4.12 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 19 N 9.05 5.32 0.00 2.82 2.69 0.00 0.00 6.80 7.36 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 20 L 8.88 4.60 0.00 1.35 1.28 0.27 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.70 4.90 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.59 0.90 0.00 0.00 22 I 8.49 4.38 1.88 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.33 0.57 0.00 0.00 23 E 9.25 4.05 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.22 0.00 24 S 7.65 4.65 0.00 3.86 3.65 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 25 V 8.22 4.81 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 0.99 0.00 0.00 0.93 0.00 0.00 26 S 9.20 4.70 0.00 4.08 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 27 Q 8.54 4.05 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.05 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 28 N 8.23 4.63 0.00 2.92 3.01 0.00 0.00 6.25 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 29 G 8.48 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 30 E 8.64 4.45 0.00 2.18 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 2.05 1.72 0.00 31 F 8.84 5.77 0.00 3.10 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 32 T 8.43 4.99 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 1.15 0.00 0.00 33 G 7.65 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.92 5.22 4.36 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 1.23 0.00 0.00 35 Y 9.28 4.99 0.00 2.87 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 36 F 9.13 5.08 0.00 3.23 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 37 T 8.43 4.71 4.74 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 1.07 0.00 0.00 38 S 8.83 4.64 0.00 4.05 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 39 V 7.56 4.53 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 0.74 0.00 0.00 0.91 0.00 0.00 40 S 8.00 4.48 0.00 3.90 3.65 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 41 L 8.23 4.06 0.00 1.57 1.70 0.83 0.80 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 42 T 7.57 4.11 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 1.41 0.00 0.00 43 N 8.39 4.72 0.00 2.74 2.82 0.00 0.00 6.97 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 44 S 7.70 4.33 0.00 4.03 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.25 3.82 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 1.19 0.00 0.00 46 I 7.85 2.24 1.47 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 -0.17 -0.09 0.00 0.00 47 R 7.51 4.94 0.00 1.93 1.94 0.00 3.32 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 48 I 8.80 4.31 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.79 1.04 0.00 0.00 49 S 9.21 5.03 0.00 3.81 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 5.09 0.00 2.09 2.16 0.00 3.81 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 2.04 1.94 0.00 51 L 8.60 5.68 0.00 1.90 1.67 0.79 0.01 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 52 T 8.05 4.71 4.11 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 1.08 0.00 0.00 53 G 7.44 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 8.21 5.55 0.00 2.86 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 55 Q 9.61 5.50 0.00 2.35 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.99 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 56 K 8.84 4.31 0.00 1.72 1.82 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.59 7.81 57 L 8.11 4.58 0.00 1.66 1.68 1.04 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.18 4.66 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 1.23 0.00 0.00 59 E 8.59 4.10 0.00 1.97 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 2.32 2.45 0.00 60 K 8.87 4.14 0.00 1.83 1.54 0.00 1.96 0.00 0.00 2.61 0.00 0.00 3.22 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.40 7.81 61 P 0.00 4.64 0.00 2.21 2.32 0.00 3.81 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.82 0.00 62 T 8.52 4.74 4.15 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 1.14 0.00 0.00 63 F 8.18 5.40 0.00 3.61 3.30 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 64 G 9.69 4.87 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 65 F 9.03 5.45 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 66 T 9.06 5.09 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 1.22 0.00 0.00 67 V 8.88 4.40 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 -0.54 0.00 0.00 0.69 0.00 0.00 68 H 8.46 4.84 0.00 3.05 3.12 0.00 6.02 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 69 W 7.64 4.33 0.00 2.95 2.19 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 A 9.20 4.25 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 71 F 7.28 5.01 0.00 3.17 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 72 S 7.25 4.54 0.00 3.83 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.44 4.73 0.00 2.67 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 74 S 7.68 4.87 0.00 3.72 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.68 4.99 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.91 0.88 0.00 0.00 76 T 8.40 5.09 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 -0.05 0.00 0.00 77 V 8.53 4.99 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 0.72 0.00 0.00 0.94 0.00 0.00 78 W 8.85 5.32 0.00 1.97 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 79 T 8.88 4.86 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 1.17 0.00 0.00 80 G 7.35 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 0.00 0.00 0.00 81 Q 8.35 4.92 0.00 1.97 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.82 0.00 0.00 0.00 0.00 0.00 1.36 2.12 0.00 82 C 8.89 5.15 0.00 3.04 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 83 F 9.25 5.40 0.00 3.02 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 84 L 8.61 5.19 0.00 1.62 1.67 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 85 N 8.98 4.77 0.00 2.99 3.07 0.00 0.00 6.62 8.46 0.00 0.00 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 E 9.00 3.93 0.00 2.00 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 2.35 2.32 0.00 87 K 8.16 4.14 0.00 1.77 1.87 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.31 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.46 7.81 88 G 8.18 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 89 E 8.45 4.48 0.00 2.20 1.92 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 2.31 2.30 0.00 90 E 8.60 4.85 0.00 2.17 2.26 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 2.44 2.42 0.00 91 I 9.08 5.10 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.05 0.97 0.00 0.00 92 L 9.03 5.07 0.00 1.70 1.78 -0.79 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 93 H 9.25 5.38 0.00 3.38 3.36 0.00 5.56 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 T 9.29 5.44 4.78 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 1.80 0.00 0.00 95 M 9.13 5.39 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 96 W 8.36 5.42 0.00 2.50 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 0.00 0.00 0.00 97 L 8.76 5.24 0.00 1.55 1.56 0.88 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 98 L 9.27 4.91 0.00 1.65 1.79 0.89 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 99 R 9.19 4.95 0.00 1.93 1.89 0.00 3.33 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 100 S 8.67 5.02 0.00 3.84 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 0.00 101 S 8.48 4.34 0.00 4.05 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 0.00 102 Q 8.50 4.47 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.88 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 103 E 8.63 4.17 0.00 1.95 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 2.30 2.27 0.00 104 K 7.53 4.67 0.00 1.89 1.85 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.44 7.81 105 E 9.00 3.95 0.00 2.03 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 2.41 2.33 0.00 106 Q 8.14 4.14 0.00 2.28 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 107 D 8.19 4.79 0.00 2.81 2.55 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 0.00 108 N 8.40 4.26 0.00 2.94 2.90 0.00 0.00 6.93 7.47 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 0.00 109 W 8.38 4.29 0.00 3.58 3.20 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 0.00 110 T 6.65 3.56 3.53 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 -0.98 0.00 0.00 111 G 8.01 3.77 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 0.00 0.00 0.00 112 T 7.50 4.96 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 0.00 113 R 9.09 4.78 0.00 1.92 2.03 0.00 3.11 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 114 V 7.68 4.38 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 0.53 0.00 0.00 0.67 0.00 0.00 115 G 6.21 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 0.00 0.00 0.00 116 A 8.31 5.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 9.43 5.22 0.00 3.11 2.52 0.00 0.00 6.87 7.21 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 0.00 118 T 8.58 5.36 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 1.30 0.00 0.00 119 F 9.56 5.34 0.00 2.83 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 0.00 120 T 9.04 5.51 4.37 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 1.35 0.00 0.00 121 R 8.52 4.17 0.00 1.59 1.65 0.00 2.65 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.34 0.00 122 L 8.08 4.07 0.00 1.52 1.56 0.90 0.80 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 0.00 123 S 8.58 4.25 0.00 3.83 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