NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3693 8.3001 120.3266 55.4171 32.7798 175.8230 2 A 4.4036 7.5848 120.0492 49.4549 20.1573 173.6952 3 R 4.7014 7.9647 118.9317 54.5252 34.8867 173.6082 4 E 4.4512 8.6244 119.6839 55.6112 31.4824 175.7179 5 V 4.3784 8.3840 122.1027 61.0208 33.8827 174.6644 6 K 4.8082 8.6424 127.8211 56.4318 33.4965 176.1073 7 L 5.3418 8.7357 122.9925 53.0910 46.7233 175.5893 8 T 4.7183 8.3662 111.5921 60.4744 70.9663 175.5854 9 K 3.8605 8.9626 122.2376 60.6445 32.1687 178.8841 10 A 4.1408 8.1086 121.4985 54.6486 18.4932 179.6751 11 G 3.5790 8.3549 104.5345 48.0615 0.0000 175.3683 12 Y 4.0847 8.5013 122.4298 60.5192 38.8226 177.8612 13 E 3.9420 8.4796 119.5544 59.5250 29.5501 179.6265 14 R 4.7832 8.0040 119.4767 58.8478 30.0152 179.0816 15 L 4.0120 7.8075 118.4330 57.5732 41.4882 179.4367 16 M 3.8523 7.7247 118.9478 58.4321 32.0091 178.6889 17 Q 3.9337 8.1049 118.2393 59.0282 28.8222 178.8078 18 Q 3.9536 8.1026 120.6370 58.7994 29.0699 177.9577 19 L 3.8617 8.0253 121.8266 57.9781 42.1543 178.3692 20 E 3.8795 8.3286 119.5577 59.3941 29.5366 178.7346 21 R 3.8629 7.7983 118.1190 59.6784 30.2785 178.3804 22 E 3.9934 8.1821 118.2528 59.3391 29.3879 179.6139 23 R 3.9468 8.1145 118.3331 58.9982 30.0881 178.6494 24 E 3.9397 8.1490 118.4679 59.8133 29.6029 179.8861 25 R 4.0024 8.1213 117.4551 58.8353 29.9282 178.8188 26 L 4.0526 7.7480 120.1207 57.6530 41.9597 178.8858 27 Q 3.9406 8.0073 118.2529 58.9645 28.8533 178.1366 28 E 3.8849 8.1799 120.0226 59.3997 29.6511 178.7992 29 A 4.0452 8.1916 120.7376 55.1781 18.2627 179.8156 30 T 3.7727 8.2554 114.9133 66.7295 68.5818 176.9777 31 K 3.9440 8.2702 120.8916 60.1190 32.2799 179.2040 32 I 3.9578 7.6408 121.8793 63.7113 36.9239 178.2185 33 L 4.0135 7.6866 119.3691 57.8516 42.1767 178.5675 34 Q 4.1906 7.9010 118.4156 58.7168 28.2019 178.1069 35 E 4.0364 8.0537 119.4735 59.0209 29.3432 178.2787 36 L 4.2572 8.1162 117.8635 56.3056 42.2614 177.2383 37 M 4.3283 7.5429 116.5488 58.1549 32.9675 177.1172 38 E 4.1983 8.0730 116.6637 57.8445 30.3020 177.6343 39 S 4.0137 8.0324 114.3285 60.3465 62.3136 176.7240 40 S 4.4481 8.6985 115.0036 57.1729 61.1804 173.5042 41 D 4.2457 8.1235 123.5563 57.2223 40.8037 177.2096 42 D 4.0410 7.8013 121.0357 54.5959 39.9455 176.4316 43 Y 4.0883 7.2651 123.0324 58.3638 38.4971 176.9520 44 D 4.7680 7.6765 119.1517 53.9868 39.7499 175.8137 45 D 4.7498 7.7376 121.0060 52.3741 40.5893 177.5159 46 S 4.2850 8.7294 114.7813 59.9681 63.3894 175.7175 47 G 3.8126 8.1324 108.8733 47.4870 0.0000 176.0260 48 L 4.0431 7.9722 123.2154 57.5229 42.2000 178.5155 49 E 4.3622 8.2003 117.0277 57.9761 29.2033 177.8141 50 A 4.3111 7.8266 119.5125 53.7685 18.9191 178.1813 51 A 4.2619 7.7616 119.6873 53.5036 19.0197 179.0736 52 K 3.7635 8.7859 115.4464 59.5518 32.4994 178.8998 53 Q 3.9293 7.8544 118.9854 59.4346 28.7552 178.5485 54 E 3.8844 7.8015 118.8898 59.3133 29.6033 178.6707 55 K 3.8844 8.1050 119.3105 59.3856 32.2025 178.5910 56 A 3.9334 8.3144 121.3596 55.0303 18.3492 179.2751 57 R 3.7935 8.3460 117.6809 59.8599 30.0539 178.6117 58 I 3.6852 7.9994 119.5268 64.6150 37.0869 178.2931 59 E 3.9328 8.4893 119.2383 59.2700 29.1083 179.4435 60 A 3.9724 8.0474 120.9487 55.0719 18.5259 179.8045 61 R 3.8300 7.9898 116.6014 59.4597 30.0435 179.2426 62 I 3.6583 7.8979 119.4895 64.6867 37.2079 178.2626 63 D 4.3287 8.3121 119.6635 57.4330 40.6775 178.9630 64 S 4.1037 8.3642 113.9647 61.2218 62.3441 176.2377 65 L 3.9569 7.8994 121.7435 57.8933 41.3778 179.3303 66 E 3.9641 8.4661 118.8133 59.2228 29.0972 178.9612 67 D 4.2785 7.9578 117.3119 57.4450 41.6735 178.0635 68 I 3.8706 7.6410 120.1153 64.5116 37.1285 178.5217 69 L 4.2024 8.1715 120.0427 57.7080 41.1777 179.6947 70 S 4.2832 8.0648 113.4931 60.6759 63.2067 175.0211 71 R 4.5673 7.7403 119.4803 55.4986 31.2103 176.2271 72 A 4.5177 7.8140 121.8871 52.7586 19.1979 177.9963 73 V 4.1858 8.7282 120.8616 60.7207 34.1660 174.5139 74 I 4.0864 8.1893 129.1799 61.3588 37.3488 176.3547 75 L 4.4405 8.5162 127.3996 53.6585 42.8181 176.9234 76 E 4.0170 8.6665 120.6237 56.2598 29.3606 176.4320 77 E 3.4523 8.3160 119.1878 60.8231 29.9996 178.1717 78 G 3.8832 7.7784 120.4807 44.8841 0.0000 172.4588 79 S 4.4945 7.8239 119.2894 56.6469 66.2395 174.7339 80 G 3.8417 8.5783 112.1976 44.8753 0.0000 173.0223 81 E 4.2916 8.2527 117.0346 55.8169 30.7845 176.2039 82 V 4.6975 7.8119 117.5025 61.6721 35.4862 175.5758 83 I 4.1131 9.0589 126.2571 61.0183 38.4044 175.5371 84 G 4.1474 8.8332 114.5895 44.4925 0.0000 170.9508 85 L 4.3869 8.4879 121.5385 56.3438 42.4752 177.9801 86 G 3.9831 9.7487 115.1029 45.2623 0.0000 173.5474 87 S 5.0978 7.7635 116.7194 57.5488 64.6011 173.3555 88 V 4.3809 8.4361 124.2553 61.7612 33.0735 174.4670 89 V 4.9645 9.1628 128.2918 60.9559 34.5556 173.6429 90 E 5.0884 9.0305 125.9140 54.7426 31.8734 174.9275 91 L 5.4627 9.7597 123.6837 52.9092 46.1687 174.9728 92 E 5.1572 8.9695 121.4886 54.7176 33.4098 174.2935 93 D 4.2380 9.2632 127.2309 52.8286 41.0540 175.3580 94 P 4.0395 0.0000 0.0000 65.5501 31.0054 177.5820 95 L 4.0073 7.1666 117.4655 57.4154 41.9453 177.9390 96 S 4.1489 8.3468 117.3556 58.9182 63.6607 175.4050 97 G 3.8779 8.7792 109.4872 46.1280 0.0000 173.3726 98 E 4.1540 7.8118 120.9941 56.1065 30.8396 175.7049 99 R 5.2360 8.5775 124.8453 54.4453 32.2188 175.1658 100 L 4.8503 9.3317 125.5871 53.1941 45.5810 174.8414 101 S 5.3185 8.6587 119.6471 56.6233 65.0414 172.9467 102 V 4.6649 8.8241 125.3769 61.6345 35.7532 172.6349 103 Q 4.9768 8.9524 126.1332 54.1176 31.8233 174.4038 104 V 4.2689 8.3417 126.8828 63.0278 32.9223 175.2361 105 V 5.1776 8.8013 121.4748 59.7329 36.4184 175.2156 106 S 4.5585 8.8652 116.6458 57.9216 63.6755 173.8320 107 P 4.1163 0.0000 0.0000 65.0736 31.1682 178.1103 108 A 4.3015 7.8627 118.2677 53.4977 18.8646 177.6113 109 E 4.2151 8.5492 114.3953 56.7529 30.1544 176.8014 110 A 4.1161 7.1089 121.4596 52.6471 18.8906 176.7615 111 N 4.7124 8.7010 121.1276 52.5791 41.9155 175.5017 112 V 3.8822 8.4376 126.0094 65.2547 31.9728 176.7430 113 L 4.2516 8.3416 119.1335 56.5557 41.9514 177.2519 114 D 4.5733 8.1707 118.6522 53.9377 42.6479 175.8004 115 T 3.4378 8.9873 112.7700 67.1710 67.6287 173.7490 116 P 4.3330 0.0000 0.0000 63.1028 32.0103 175.7516 117 M 4.1674 8.3585 122.5407 54.8160 33.5028 175.9949 118 K 4.7390 9.2490 122.9357 55.6767 33.7965 175.6492 119 I 4.6999 8.8005 127.0935 59.1753 38.9183 175.5727 120 S 4.4396 8.7796 121.4400 58.8078 62.9438 174.9012 121 D 4.2598 8.6648 125.0938 56.5149 39.2643 177.2746 122 A 4.4516 7.8357 120.3229 51.6266 18.8626 177.5605 123 S 4.5310 7.4708 115.2888 58.3011 65.5562 172.6764 124 P 4.1965 0.0000 0.0000 66.1416 30.9509 178.3923 125 M 4.0880 8.0186 116.2998 58.6743 32.2346 178.8300 126 G 3.5264 7.8801 105.6907 47.5351 0.0000 175.3890 127 K 3.8496 8.1747 121.4419 59.2415 32.2942 177.9221 128 A 4.1611 7.7526 119.3538 55.4505 18.5593 179.4454 129 L 4.1564 8.0271 116.9653 56.7542 41.7568 177.5685 130 L 4.1128 7.2361 117.2003 56.9697 41.7875 177.7641 131 G 3.8475 9.4805 112.2918 45.5007 0.0000 172.3399 132 H 4.9254 7.9236 116.5133 53.8002 31.4379 173.1265 133 R 4.8263 9.0851 116.7426 53.8581 32.4239 174.6707 134 V 3.9717 8.1692 117.7502 63.9930 32.1795 174.5640 135 G 4.2417 8.9304 116.7628 45.8024 0.0000 174.0117 136 D 4.8145 8.0777 118.5740 54.3121 42.2065 175.9172 137 V 4.9061 8.2853 120.2626 61.1750 34.1850 174.6344 138 L 4.8549 9.1181 127.2917 52.8772 45.4960 175.4402 139 S 4.9269 8.7600 118.1402 57.7345 63.2969 172.8935 140 L 4.7805 9.1873 127.7031 52.4733 44.0802 175.7823 141 D 4.4519 8.8198 123.1633 55.3632 41.3587 175.7400 142 T 4.7370 8.0711 120.1475 61.6328 72.7455 173.1367 143 P 4.3212 0.0000 0.0000 65.4710 31.5904 178.2261 144 K 4.1078 8.1939 116.1659 57.1745 32.9236 177.0943 145 G 4.5374 6.9396 117.5016 44.7794 0.0000 171.5344 146 R 4.1039 8.4568 125.8613 57.3260 30.6337 175.9054 147 R 4.7038 8.6240 125.6672 54.7604 33.3468 174.9847 148 E 5.2844 8.4457 119.3921 54.7992 31.9863 175.7088 149 F 4.9701 9.4575 122.3287 55.6208 43.1788 173.9888 150 R 4.9936 8.8259 121.6377 54.5667 32.8024 175.3863 151 V 3.8623 8.6197 126.5939 62.6870 31.3629 176.4565 152 V 3.8460 8.5776 129.6555 65.5660 32.2093 175.9966 153 A 4.3301 7.3407 118.1794 51.3762 22.0920 175.4615 154 I 5.0507 8.2167 120.7227 59.5030 36.1821 175.0985 155 H 4.0636 8.6424 124.4335 58.0088 31.1175 175.1702 156 G 3.7712 8.0342 111.9652 45.8722 0.0000 173.3561 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 8.30 4.37 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 2 A 7.58 4.40 1.23 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 0.00 0.00 3 R 7.96 4.70 0.00 1.76 1.79 0.00 3.20 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 4 E 8.62 4.45 0.00 1.97 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 2.24 2.30 0.00 5 V 8.38 4.38 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 1.00 0.00 0.00 0.94 0.00 0.00 6 K 8.64 4.81 0.00 1.77 1.72 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.53 1.48 7.81 7 L 8.74 5.34 0.00 1.57 1.59 1.10 0.69 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 8 T 8.37 4.72 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 1.31 0.00 0.00 9 K 8.96 3.86 0.00 2.00 2.15 0.00 1.54 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.53 1.50 7.81 10 A 8.11 4.14 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 11 G 8.35 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.50 4.08 0.00 3.05 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 13 E 8.48 3.94 0.00 2.25 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 2.43 2.78 0.00 14 R 8.00 4.78 0.00 2.01 1.96 0.00 3.32 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.71 0.00 15 L 7.81 4.01 0.00 1.57 1.61 0.91 0.66 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 16 M 7.72 3.85 0.00 1.88 2.02 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 2.13 1.96 0.00 17 Q 8.10 3.93 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 18 Q 8.10 3.95 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 19 L 8.03 3.86 0.00 1.81 1.81 0.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.33 3.88 0.00 2.03 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 2.29 2.31 0.00 21 R 7.80 3.86 0.00 2.12 2.00 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 22 E 8.18 3.99 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 23 R 8.11 3.95 0.00 2.01 1.96 0.00 3.12 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 24 E 8.15 3.94 0.00 2.13 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 2.50 0.00 25 R 8.12 4.00 0.00 1.99 1.97 0.00 3.31 0.00 0.00 3.08 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 26 L 7.75 4.05 0.00 1.79 1.85 0.92 0.53 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 27 Q 8.01 3.94 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 28 E 8.18 3.88 0.00 2.09 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 2.31 2.38 0.00 29 A 8.19 4.05 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 30 T 8.26 3.77 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 31 K 8.27 3.94 0.00 1.97 2.14 0.00 1.41 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.67 1.49 7.81 32 I 7.64 3.96 2.07 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 1.39 1.41 0.91 0.00 0.00 33 L 7.69 4.01 0.00 1.78 1.71 0.96 0.89 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 34 Q 7.90 4.19 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 35 E 8.05 4.04 0.00 1.99 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 2.60 0.00 36 L 8.12 4.26 0.00 1.75 1.69 0.92 0.90 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 37 M 7.54 4.33 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 38 E 8.07 4.20 0.00 2.16 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 2.57 2.35 0.00 39 S 8.03 4.01 0.00 3.95 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 40 S 8.70 4.45 0.00 3.90 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 41 D 8.12 4.25 0.00 2.52 2.53 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 42 D 7.80 4.04 0.00 2.65 2.81 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 43 Y 7.27 4.09 0.00 3.13 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 44 D 7.68 4.77 0.00 2.69 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.74 4.75 0.00 2.89 2.82 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 46 S 8.73 4.29 0.00 4.01 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 47 G 8.13 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 48 L 7.97 4.04 0.00 1.94 1.74 1.08 0.85 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 49 E 8.20 4.36 0.00 2.04 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 2.43 2.33 0.00 50 A 7.83 4.31 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.76 4.26 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 52 K 8.79 3.76 0.00 1.76 1.90 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.49 7.81 53 Q 7.85 3.93 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 54 E 7.80 3.88 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 55 K 8.11 3.88 0.00 1.88 1.92 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.18 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.46 7.81 56 A 8.31 3.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.35 3.79 0.00 1.93 2.18 0.00 3.26 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 58 I 8.00 3.69 2.00 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 1.51 0.75 0.93 0.00 0.00 59 E 8.49 3.93 0.00 2.14 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 2.32 2.43 0.00 60 A 8.05 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.99 3.83 0.00 1.97 1.96 0.00 3.27 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 62 I 7.90 3.66 2.02 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 1.50 0.89 0.90 0.00 0.00 63 D 8.31 4.33 0.00 2.78 2.71 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 64 S 8.36 4.10 0.00 3.99 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 65 L 7.90 3.96 0.00 1.93 1.65 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.47 3.96 0.00 2.12 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 2.32 2.53 0.00 67 D 7.96 4.28 0.00 2.78 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 68 I 7.64 3.87 1.98 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 1.52 0.82 0.92 0.00 0.00 69 L 8.17 4.20 0.00 1.71 1.82 0.84 0.33 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 70 S 8.06 4.28 0.00 4.06 4.18 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 71 R 7.74 4.57 0.00 1.83 2.11 0.00 3.15 0.00 0.00 3.35 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 72 A 7.81 4.52 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.73 4.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.99 0.00 0.00 74 I 8.19 4.09 1.78 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.67 0.86 0.00 0.00 75 L 8.52 4.44 0.00 1.68 1.59 0.96 0.82 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 76 E 8.67 4.02 0.00 1.95 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 2.31 2.27 0.00 77 E 8.32 3.45 0.00 1.95 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 0.00 2.33 2.35 0.00 78 G 7.78 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 0.00 0.00 0.00 79 S 7.82 4.49 0.00 3.92 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 80 G 8.58 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 81 E 8.25 4.29 0.00 1.97 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 2.30 2.22 0.00 82 V 7.81 4.70 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.93 0.00 0.00 83 I 9.06 4.11 2.03 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 1.18 0.52 0.93 0.00 0.00 84 G 8.83 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 0.00 0.00 0.00 0.00 85 L 8.49 4.39 0.00 1.62 1.58 0.92 1.10 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 86 G 9.75 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 87 S 7.76 5.10 0.00 3.91 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 88 V 8.44 4.38 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 0.96 0.00 0.00 0.94 0.00 0.00 89 V 9.16 4.96 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 1.03 0.00 0.00 0.94 0.00 0.00 90 E 9.03 5.09 0.00 2.10 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 2.35 2.33 0.00 91 L 9.76 5.46 0.00 1.51 1.77 0.76 0.61 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 92 E 8.97 5.16 0.00 2.05 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 0.00 2.17 2.32 0.00 93 D 9.26 4.24 0.00 1.97 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 0.00 0.00 0.00 0.00 94 P 0.00 4.04 0.00 1.99 2.04 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.11 0.00 95 L 7.17 4.01 0.00 1.69 1.55 0.84 0.81 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 96 S 8.35 4.15 0.00 3.90 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 97 G 8.78 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 0.00 0.00 0.00 98 E 7.81 4.15 0.00 2.06 1.87 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 2.41 2.35 0.00 99 R 8.58 5.24 0.00 1.72 1.85 0.00 3.29 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 100 L 9.33 4.85 0.00 1.69 1.45 0.88 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.66 5.32 0.00 3.87 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 0.00 102 V 8.82 4.66 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 0.79 0.00 0.00 0.88 0.00 0.00 103 Q 8.95 4.98 0.00 2.11 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 104 V 8.34 4.27 2.23 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 0.87 0.00 0.00 0.92 0.00 0.00 105 V 8.80 5.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.02 0.00 0.00 106 S 8.87 4.56 0.00 4.01 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 0.00 107 P 0.00 4.12 0.00 2.16 2.13 0.00 3.86 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 108 A 7.86 4.30 1.27 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 0.00 0.00 0.00 109 E 8.55 4.22 0.00 2.01 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 2.24 0.00 110 A 7.11 4.12 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 0.00 111 N 8.70 4.71 0.00 2.70 2.68 0.00 0.00 6.44 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 0.00 112 V 8.44 3.88 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 0.85 0.00 0.00 0.92 0.00 0.00 113 L 8.34 4.25 0.00 1.79 1.70 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.17 4.57 0.00 2.78 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.99 3.44 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 116 P 0.00 4.33 0.00 2.03 2.02 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 117 M 8.36 4.17 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.62 0.00 118 K 9.25 4.74 0.00 1.87 1.73 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.41 7.81 119 I 8.80 4.70 1.85 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 1.08 0.89 0.89 0.00 0.00 120 S 8.78 4.44 0.00 3.89 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.66 4.26 0.00 2.84 2.89 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 0.00 0.00 0.00 122 A 7.84 4.45 1.28 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 0.00 0.00 123 S 7.47 4.53 0.00 4.01 4.01 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 0.00 0.00 0.00 124 P 0.00 4.20 0.00 2.16 2.08 0.00 3.59 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 2.10 2.14 0.00 125 M 8.02 4.09 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 126 G 7.88 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 0.00 0.00 0.00 0.00 127 K 8.17 3.85 0.00 1.88 1.98 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.62 7.81 128 A 7.75 4.16 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 0.00 129 L 8.03 4.16 0.00 1.73 1.73 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.24 4.11 0.00 1.79 1.67 0.93 0.92 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 0.00 131 G 9.48 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 0.00 132 H 7.92 4.93 0.00 3.32 3.37 0.00 5.56 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 9.09 4.83 0.00 1.94 2.12 0.00 2.79 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 134 V 8.17 3.97 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 0.90 0.00 0.00 0.97 0.00 0.00 135 G 8.93 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 0.00 0.00 0.00 0.00 136 D 8.08 4.81 0.00 2.80 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.29 4.91 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 0.88 0.00 0.00 1.01 0.00 0.00 138 L 9.12 4.85 0.00 1.55 1.47 0.78 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 139 S 8.76 4.93 0.00 3.90 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 L 9.19 4.78 0.00 1.58 1.46 0.48 0.73 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 0.00 141 D 8.82 4.45 0.00 2.63 2.59 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 0.00 142 T 8.07 4.74 4.44 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 1.25 0.00 0.00 143 P 0.00 4.32 0.00 2.04 2.12 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 144 K 8.19 4.11 0.00 1.88 1.96 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.40 7.81 145 G 6.94 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.46 4.10 0.00 1.85 1.91 0.00 3.23 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 147 R 8.62 4.70 0.00 2.00 1.67 0.00 3.14 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.88 0.00 148 E 8.45 5.28 0.00 1.76 1.82 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 2.23 2.29 0.00 149 F 9.46 4.97 0.00 2.96 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 0.00 150 R 8.83 4.99 0.00 1.87 1.78 0.00 3.21 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 151 V 8.62 3.86 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 0.90 0.00 0.00 1.01 0.00 0.00 152 V 8.58 3.85 2.36 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 0.81 0.00 0.00 1.01 0.00 0.00 153 A 7.34 4.33 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 8.22 5.05 1.87 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 1.25 0.74 0.98 0.00 0.00 155 H 8.64 4.06 0.00 3.19 3.35 0.00 5.72 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 0.00 156 G 8.03 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