NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 E 4.2911 8.4449 118.7904 55.4680 31.7031 175.5417 19 L 4.1791 7.6216 120.6226 52.4099 42.5531 175.8886 20 S 4.4643 9.0199 119.0513 57.6231 66.3483 174.8174 21 E 3.8799 8.5930 121.5118 59.2060 29.2532 178.4485 22 A 4.0672 7.8815 120.5387 54.9814 18.6750 179.2966 23 E 3.9475 8.1117 116.7300 59.3682 29.4929 179.5647 24 R 3.8593 8.1654 118.2887 59.5088 30.2810 179.3161 25 K 4.0222 8.1370 117.7482 59.3792 32.0529 179.3931 26 A 4.1209 8.2245 121.3743 54.8240 18.2748 179.9384 27 V 3.7677 7.9731 116.9095 66.5580 31.8642 178.0424 28 Q 4.1813 8.2252 117.5600 59.3460 28.6252 179.4075 29 A 4.1512 8.1644 121.3360 54.9127 18.6297 179.4497 30 M 3.9221 8.2341 116.6867 58.6091 32.3880 177.8967 31 W 4.4172 9.0059 128.8134 60.9543 30.6597 177.6995 32 A 3.9932 8.1227 119.9280 55.1710 17.5278 179.9063 33 R 3.8308 7.1498 115.1635 59.1416 30.3956 178.9334 34 L 3.8555 7.1642 118.5924 57.8985 41.4826 178.6251 35 Y 3.8362 7.3067 115.9747 58.6363 38.8019 176.6237 36 A 4.1060 7.5800 120.8987 54.5982 20.0628 177.6216 37 N 4.8861 7.7604 113.6718 52.0793 38.9405 175.3989 38 S 3.7324 7.5305 116.9483 61.6043 63.0652 175.0056 39 E 3.9930 7.8713 120.6264 59.2201 29.4385 178.7585 40 D 4.3355 7.9645 118.6707 57.2360 40.8224 178.8255 41 V 3.7324 7.7621 118.6407 65.6098 31.6290 178.1121 42 G 3.7495 8.3198 105.9397 48.2317 0.0000 175.9411 43 V 3.7460 7.9262 114.4771 63.4353 31.6016 178.4657 44 A 3.9752 7.8347 120.3351 55.2318 18.2417 179.6371 45 I 3.6444 8.0610 118.4802 64.7445 37.2591 178.7981 46 L 3.9048 7.8874 119.7038 57.6177 41.3692 179.8485 47 V 3.6921 8.1687 118.7030 65.9646 31.5199 178.0932 48 R 3.9241 8.2305 118.6260 59.2324 29.8881 178.2498 49 F 4.4816 8.2459 120.4527 61.6847 39.1037 177.3165 50 F 4.3529 8.4437 117.7001 60.1535 38.3894 178.1227 51 V 3.6160 7.8397 117.5199 66.1840 31.5871 177.6026 52 N 4.4076 7.9930 113.4456 54.1213 40.0141 175.8170 53 F 4.8550 7.9328 118.9999 53.9284 40.1714 173.1956 54 P 4.5696 0.0000 0.0000 64.6939 31.0225 178.0480 55 S 4.2135 8.2747 112.4495 61.1699 62.9015 176.1380 56 A 3.8742 8.4009 124.5914 54.0381 17.9982 178.6918 57 K 4.0471 7.9841 116.4236 57.8030 32.8440 178.7993 58 Q 3.8728 7.4246 118.6104 59.6767 28.4293 177.2645 59 Y 4.0456 7.2110 116.1748 59.2444 38.4121 175.4739 60 F 4.3120 7.6582 119.7584 55.1965 39.3751 176.6077 61 S 4.1586 8.4238 121.2992 60.4714 63.1163 175.1743 62 Q 4.4444 7.8295 118.3547 56.6014 29.3695 176.1604 63 F 4.8065 7.1386 112.3238 56.1903 38.7740 176.3906 64 K 3.8844 7.5848 123.0760 60.1532 32.0507 176.9815 65 H 4.7586 7.3683 112.1540 55.3174 29.3092 174.5845 66 M 4.4172 7.6920 120.5412 55.3214 32.5322 175.9491 67 E 4.4935 8.5366 119.6569 56.3799 32.7689 176.4458 68 D 4.5410 7.9718 118.9622 52.8853 42.3046 174.8769 69 P 4.2727 0.0000 0.0000 66.0162 31.0418 178.4346 70 L 3.9513 7.6707 118.0590 57.6710 41.7263 178.8424 71 E 4.0824 8.0759 118.3225 58.8129 29.3911 178.6303 72 M 3.9671 7.5553 118.1990 58.2563 32.1520 177.1384 73 E 4.4088 7.7229 116.8581 56.1822 29.6084 176.2468 74 R 4.7294 7.5726 115.3082 57.2600 37.7400 177.2678 75 S 4.2940 7.8543 115.1915 57.9617 60.9069 172.0773 76 P 4.2162 0.0000 0.0000 62.3165 30.3621 177.0175 77 Q 4.3968 8.5787 125.8943 56.1762 28.4024 177.5459 78 L 4.0131 7.4914 118.7782 57.1256 44.6969 179.0942 79 R 4.4161 8.3849 119.0080 56.6802 29.3211 178.2290 80 K 4.4666 9.0766 127.2180 58.0268 32.5262 175.6056 81 H 4.3851 8.7368 119.5081 58.7978 29.5597 176.6115 82 A 3.9681 8.0020 122.4705 55.3853 18.4169 179.5802 83 S 4.0834 8.1672 110.6770 61.0798 62.6663 176.0271 84 R 4.2390 8.2805 120.8507 58.0126 29.9051 178.6426 85 V 3.6330 7.9785 118.5780 66.4660 31.5364 177.7146 86 M 4.5652 8.4254 118.6909 58.6134 31.8476 179.0596 87 G 3.7486 8.3479 105.3541 47.8769 0.0000 175.6236 88 A 4.1433 8.1030 122.6257 54.3410 18.3609 179.9051 89 L 3.7014 8.0135 117.9321 57.8111 41.7064 178.6351 90 N 3.7072 8.2613 117.3550 57.3166 38.5256 176.7295 91 T 3.7555 7.3531 114.7057 66.4907 68.8140 176.5750 92 V 3.5298 7.1744 120.1602 65.9830 31.4039 178.2579 93 V 3.2643 7.0435 116.5820 65.9917 31.3250 177.6203 94 E 4.0980 8.0311 117.1898 58.3062 29.4299 177.9465 95 N 4.9301 7.5679 115.6808 52.9379 39.5349 176.6855 96 L 4.0770 7.7958 121.6757 57.1481 42.0699 178.0346 97 H 4.1402 8.2049 117.7680 57.8927 30.0609 174.1326 98 D 4.7794 7.7387 119.5500 51.1523 41.0158 174.1320 99 P 4.2187 0.0000 0.0000 65.1869 31.4390 177.8893 100 D 4.3408 8.0114 118.2139 57.1846 40.8511 178.5942 101 K 3.9672 7.9682 120.3172 59.3645 32.0550 179.4305 102 V 3.5398 7.6015 112.3364 64.3086 31.7784 178.1606 103 S 4.1937 7.8021 114.8169 61.8499 62.8548 177.2523 104 S 4.0750 7.8590 115.9727 61.4651 62.9079 176.5307 105 V 3.5532 7.5579 122.0025 65.6424 31.3127 177.9759 106 L 4.0620 8.2162 118.0923 57.0573 41.4250 179.2526 107 A 3.9868 7.8530 120.9453 54.6663 18.4280 179.2783 108 L 3.8498 7.7584 118.5835 58.3507 42.0403 179.4879 109 V 3.7928 7.9989 118.2958 65.8345 31.4882 177.9564 110 G 3.6059 8.1130 105.4627 47.8411 0.0000 175.5454 111 K 3.6699 8.4650 121.6070 58.8899 32.1979 179.1460 112 A 3.8884 7.9684 120.7566 55.6084 18.1158 179.1837 113 H 4.0978 7.9680 113.8929 58.0427 28.4851 177.8534 114 A 3.1783 7.4639 122.8887 54.0053 17.7885 178.8335 115 L 4.2740 7.3508 115.1563 56.3986 43.0262 178.2084 116 K 4.1013 7.7629 118.2190 59.0354 32.2567 177.1609 117 H 4.7774 7.7383 111.3883 54.4746 30.1043 173.7948 118 K 4.3332 7.8554 116.9816 56.2660 29.4509 175.3775 119 V 3.2333 7.7723 117.4721 61.2880 32.8591 175.2537 120 E 4.5282 9.0049 127.0200 55.8437 29.9906 176.4872 121 P 4.0316 0.0000 0.0000 65.6432 31.1592 179.0009 122 V 3.8052 7.8536 111.8366 64.3307 31.3204 177.6682 123 Y 4.2221 8.0100 116.5116 60.8661 37.5946 178.4761 124 F 3.8583 8.3714 118.6263 60.3895 38.9062 177.5070 125 K 3.5452 7.9407 118.6764 59.2708 31.8898 178.8487 126 I 3.4814 7.4484 119.9516 64.3016 36.9968 178.1978 127 L 3.4569 8.0274 121.4427 58.0431 41.6488 179.2289 128 S 4.2814 8.0901 115.4748 61.3436 62.7291 176.7980 129 G 3.6144 7.8796 108.6624 47.5400 0.0000 176.1029 130 V 3.6764 7.5772 120.1738 65.9057 31.6279 177.8831 131 I 3.7280 8.0067 120.0753 64.6186 37.0071 178.0424 132 L 3.8266 8.1778 120.8318 58.1803 41.9717 178.6413 133 E 3.9516 8.0641 118.8762 59.0950 29.4334 179.0475 134 V 3.5212 7.6469 118.0068 65.9621 31.6024 178.2457 135 V 3.4149 7.6227 117.7641 65.7845 30.9230 177.8529 136 A 3.7577 7.3787 119.9175 54.6436 18.2564 179.3009 137 E 3.9923 7.7087 116.5019 59.6936 29.7820 179.0037 138 E 3.9191 8.1002 116.8311 57.7348 29.9436 177.0863 139 F 4.7158 7.7725 117.5421 56.4766 40.2495 176.8988 140 A 4.0627 8.4958 124.6812 55.7760 18.1319 181.2416 141 S 4.2729 8.1068 109.3767 61.2179 63.0172 174.8592 142 D 4.9946 7.9030 119.0042 54.1224 41.2602 176.9562 143 F 5.1487 7.7060 117.9850 56.1216 39.2382 172.3273 144 P 4.5344 0.0000 0.0000 61.7855 33.0096 176.9238 145 P 3.9883 0.0000 0.0000 65.7399 31.3239 178.2708 146 E 3.9664 8.1131 117.8304 59.2940 29.5364 178.6308 147 T 4.1560 8.1978 116.1657 66.1361 68.6576 177.0806 148 Q 3.4880 7.5029 119.6574 58.5582 28.6201 178.5859 149 R 3.8489 7.9349 119.5446 59.4185 30.1928 178.4585 150 A 3.9830 7.7950 120.1482 54.8463 18.3561 179.4579 151 W 3.7425 8.7603 127.0267 60.4571 30.8936 177.9873 152 A 4.1287 8.4116 120.8655 55.3692 17.8507 179.8368 153 K 3.9496 8.3457 117.0959 59.3955 32.0100 179.3479 154 L 3.7895 7.9393 120.7351 57.8715 41.8266 179.0296 155 R 3.8837 8.0702 118.7812 59.4754 30.0981 178.5750 156 G 3.7511 8.0662 105.4967 47.7635 0.0000 175.2068 157 L 3.9114 7.9952 122.3551 58.0394 42.1446 178.7724 158 I 3.6103 7.7917 119.9979 64.9748 37.1252 177.7853 159 Y 4.1754 8.2539 119.9515 60.3823 38.5555 177.8858 160 S 3.8506 8.2914 114.3499 61.7662 62.6439 175.9292 161 H 4.0490 8.2973 118.7984 58.5549 28.1922 178.0534 162 V 3.4505 7.4169 119.8673 66.0088 31.2212 178.2009 163 T 3.3973 7.4020 115.2430 66.2888 68.0274 176.5171 164 A 3.9083 7.9063 122.4906 54.9713 18.3259 179.4822 165 A 3.8814 7.6595 117.8268 55.1054 18.3865 179.0015 166 Y 3.9650 7.6363 115.7260 60.5268 37.9423 178.2057 167 K 4.0949 7.8518 119.6064 59.6063 32.1036 178.9007 168 E 3.8933 8.0734 118.2390 58.5915 29.4649 177.9962 169 V 4.3223 7.1542 113.8011 60.4286 32.4721 174.5506 170 G 3.9209 9.6329 106.3440 44.7595 0.0000 174.1698 171 W 3.9218 9.4664 131.9808 57.6767 31.7167 173.1032 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 18 E 8.44 4.29 0.00 2.07 2.13 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 2.14 2.31 0.00 19 L 7.62 4.18 0.00 1.66 1.59 0.82 0.52 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 20 S 9.02 4.46 0.00 4.05 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 21 E 8.59 3.88 0.00 2.09 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 2.38 2.44 0.00 22 A 7.88 4.07 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 23 E 8.11 3.95 0.00 2.19 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 2.34 2.35 0.00 24 R 8.17 3.86 0.00 2.06 1.97 0.00 3.12 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 25 K 8.14 4.02 0.00 2.03 1.89 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.47 7.81 26 A 8.22 4.12 1.47 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 0.00 0.00 0.00 27 V 7.97 3.77 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.86 0.00 0.00 28 Q 8.23 4.18 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.61 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 29 A 8.16 4.15 1.47 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 0.00 0.00 0.00 30 M 8.23 3.92 0.00 2.57 2.23 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.20 0.00 31 W 9.01 4.42 0.00 3.57 3.33 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 32 A 8.12 3.99 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.15 3.83 0.00 1.39 1.90 0.00 3.13 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 34 L 7.16 3.86 0.00 1.14 1.28 0.91 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 7.31 3.84 0.00 1.90 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 36 A 7.58 4.11 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 37 N 7.76 4.89 0.00 2.72 2.68 0.00 0.00 6.63 6.85 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 38 S 7.53 3.73 0.00 2.76 3.28 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 39 E 7.87 3.99 0.00 1.98 1.93 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 2.37 2.32 0.00 40 D 7.96 4.34 0.00 2.77 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 41 V 7.76 3.73 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.03 0.00 0.00 42 G 8.32 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 0.00 0.00 0.00 43 V 7.93 3.75 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 0.82 0.00 0.00 0.99 0.00 0.00 44 A 7.83 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.06 3.64 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.98 0.86 0.00 0.00 46 L 7.89 3.90 0.00 1.71 1.67 1.10 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 47 V 8.17 3.69 2.15 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 1.00 0.00 0.00 1.00 0.00 0.00 48 R 8.23 3.92 0.00 2.06 1.98 0.00 3.17 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 49 F 8.25 4.48 0.00 3.09 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 50 F 8.44 4.35 0.00 3.03 2.92 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 51 V 7.84 3.62 2.12 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 0.81 0.00 0.00 1.05 0.00 0.00 52 N 7.99 4.41 0.00 2.76 2.31 0.00 0.00 6.89 6.81 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 53 F 7.93 4.86 0.00 2.97 2.97 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 54 P 0.00 4.57 0.00 2.17 2.12 0.00 3.88 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 55 S 8.27 4.21 0.00 4.20 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.40 3.87 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 57 K 7.98 4.05 0.00 1.13 1.98 0.00 1.28 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.41 1.42 7.81 58 Q 7.42 3.87 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 7.00 0.00 0.00 0.00 0.00 0.00 1.32 1.88 0.00 59 Y 7.21 4.05 0.00 2.79 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 60 F 7.66 4.31 0.00 1.61 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 0.00 0.00 0.00 61 S 8.42 4.16 0.00 3.94 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 62 Q 7.83 4.44 0.00 2.17 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.46 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 63 F 7.14 4.81 0.00 2.93 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 64 K 7.58 3.88 0.00 1.83 1.97 0.00 1.53 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.40 7.81 65 H 7.37 4.76 0.00 3.25 3.45 0.00 5.72 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 M 7.69 4.42 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.52 0.00 67 E 8.54 4.49 0.00 1.90 1.93 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 2.20 2.26 0.00 68 D 7.97 4.54 0.00 2.70 2.54 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 69 P 0.00 4.27 0.00 2.29 2.29 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 70 L 7.67 3.95 0.00 1.57 1.76 0.91 0.96 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 71 E 8.08 4.08 0.00 2.06 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 2.37 2.45 0.00 72 M 7.56 3.97 0.00 1.96 2.19 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.37 0.00 73 E 7.72 4.41 0.00 2.04 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 2.29 2.25 0.00 74 R 7.57 4.73 0.00 1.77 1.87 0.00 3.41 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.53 0.00 75 S 7.85 4.29 0.00 3.82 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 76 P 0.00 4.22 0.00 2.15 2.08 0.00 3.76 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 2.08 2.16 0.00 77 Q 8.58 4.40 0.00 2.18 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.11 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 78 L 7.49 4.01 0.00 1.13 1.61 0.85 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 79 R 8.38 4.42 0.00 1.93 1.30 0.00 3.15 0.00 0.00 3.07 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 80 K 9.08 4.47 0.00 1.92 1.90 0.00 1.86 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.57 7.81 81 H 8.74 4.39 0.00 3.60 3.67 0.00 5.75 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.00 3.97 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.17 4.08 0.00 3.96 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 84 R 8.28 4.24 0.00 2.06 2.00 0.00 3.26 0.00 0.00 3.16 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 85 V 7.98 3.63 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 0.99 0.00 0.00 0.79 0.00 0.00 86 M 8.43 4.57 0.00 2.48 2.44 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.93 0.00 87 G 8.35 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 0.00 0.00 0.00 88 A 8.10 4.14 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 89 L 8.01 3.70 0.00 1.92 1.11 1.09 0.44 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 90 N 8.26 3.71 0.00 2.85 3.00 0.00 0.00 7.28 7.90 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 91 T 7.35 3.76 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 1.16 0.00 0.00 92 V 7.17 3.53 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 0.76 0.00 0.00 0.85 0.00 0.00 93 V 7.04 3.26 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 0.70 0.00 0.00 0.07 0.00 0.00 94 E 8.03 4.10 0.00 1.95 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 2.49 0.00 95 N 7.57 4.93 0.00 2.86 2.72 0.00 0.00 6.89 6.60 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 96 L 7.80 4.08 0.00 1.55 1.64 0.75 0.94 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 97 H 8.20 4.14 0.00 3.09 3.28 0.00 5.68 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 98 D 7.74 4.78 0.00 2.74 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.22 0.00 2.16 2.05 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 100 D 8.01 4.34 0.00 2.80 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 0.00 101 K 7.97 3.97 0.00 1.79 1.92 0.00 1.49 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.48 7.81 102 V 7.60 3.54 1.93 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 0.75 0.00 0.00 0.83 0.00 0.00 103 S 7.80 4.19 0.00 4.18 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 0.00 104 S 7.86 4.07 0.00 4.05 4.28 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 0.00 105 V 7.56 3.55 2.15 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 0.98 0.00 0.00 0.93 0.00 0.00 106 L 8.22 4.06 0.00 1.74 1.64 0.75 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.85 3.99 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 0.00 108 L 7.76 3.85 0.00 2.05 1.68 0.90 0.67 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 0.00 109 V 8.00 3.79 2.12 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 1.17 0.00 0.00 1.05 0.00 0.00 110 G 8.11 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 0.00 0.00 0.00 111 K 8.47 3.67 0.00 1.81 1.79 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.35 7.81 112 A 7.97 3.89 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 0.00 113 H 7.97 4.10 0.00 3.58 3.62 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 7.46 3.18 0.44 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 0.00 115 L 7.35 4.27 0.00 1.63 1.67 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.76 4.10 0.00 1.66 1.86 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.42 7.81 117 H 7.74 4.78 0.00 3.00 3.10 0.00 5.91 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.86 4.33 0.00 2.08 2.14 0.00 1.88 0.00 0.00 1.39 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.46 7.81 119 V 7.77 3.23 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 0.56 0.00 0.00 0.51 0.00 0.00 120 E 9.00 4.53 0.00 2.68 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 2.93 2.96 0.00 121 P 0.00 4.03 0.00 1.79 0.90 0.00 3.76 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.82 0.00 122 V 7.85 3.81 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 0.95 0.00 0.00 0.69 0.00 0.00 123 Y 8.01 4.22 0.00 3.29 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 F 8.37 3.86 0.00 3.42 3.27 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 0.00 125 K 7.94 3.55 0.00 0.96 1.76 0.00 1.31 0.00 0.00 0.93 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.17 7.81 126 I 7.45 3.48 1.96 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.99 0.16 0.00 0.00 127 L 8.03 3.46 0.00 0.94 1.28 -0.20 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 128 S 8.09 4.28 0.00 4.01 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 0.00 129 G 7.88 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 0.00 0.00 0.00 130 V 7.58 3.68 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 1.15 0.00 0.00 1.29 0.00 0.00 131 I 8.01 3.73 2.18 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.54 1.22 0.00 0.00 132 L 8.18 3.83 0.00 1.96 1.89 1.08 0.85 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 0.00 133 E 8.06 3.95 0.00 2.15 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 0.00 2.34 2.37 0.00 134 V 7.65 3.52 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 1.01 0.00 0.00 1.00 0.00 0.00 135 V 7.62 3.41 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.51 0.00 0.00 136 A 7.38 3.76 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 0.00 137 E 7.71 3.99 0.00 2.06 1.93 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 2.30 2.55 0.00 138 E 8.10 3.92 0.00 1.94 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 2.33 2.42 0.00 139 F 7.77 4.72 0.00 2.89 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 0.00 140 A 8.50 4.06 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 0.00 141 S 8.11 4.27 0.00 3.89 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 0.00 142 D 7.90 4.99 0.00 2.84 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 0.00 143 F 7.71 5.15 0.00 3.11 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 0.00 144 P 0.00 4.53 0.00 2.24 2.16 0.00 3.86 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 2.06 2.01 0.00 145 P 0.00 3.99 0.00 2.15 2.09 0.00 3.56 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 146 E 8.11 3.97 0.00 2.02 1.93 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 2.38 2.40 0.00 147 T 8.20 4.16 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 1.54 0.00 0.00 148 Q 7.50 3.49 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.91 0.00 0.00 0.00 0.00 0.00 1.24 1.37 0.00 149 R 7.93 3.85 0.00 2.05 1.92 0.00 3.09 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 1.63 0.00 150 A 7.80 3.98 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 W 8.76 3.74 0.00 3.93 3.33 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 0.00 152 A 8.41 4.13 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 153 K 8.35 3.95 0.00 1.77 1.84 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.60 7.81 154 L 7.94 3.79 0.00 1.54 1.39 0.62 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 155 R 8.07 3.88 0.00 2.04 2.16 0.00 3.26 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 156 G 8.07 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 0.00 0.00 0.00 157 L 8.00 3.91 0.00 1.74 1.75 0.82 0.68 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 0.00 158 I 7.79 3.61 2.01 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.06 0.95 0.00 0.00 159 Y 8.25 4.18 0.00 3.07 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 0.00 160 S 8.29 3.85 0.00 4.09 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 0.00 161 H 8.30 4.05 0.00 3.25 3.27 0.00 5.68 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 V 7.42 3.45 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 -0.05 0.00 0.00 0.71 0.00 0.00 163 T 7.40 3.40 3.91 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 1.01 0.00 0.00 164 A 7.91 3.91 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 0.00 165 A 7.66 3.88 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 Y 7.64 3.97 0.00 2.81 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 0.00 167 K 7.85 4.09 0.00 1.87 1.86 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.57 7.81 168 E 8.07 3.89 0.00 1.98 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 2.31 2.33 0.00 169 V 7.15 4.32 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 0.88 0.00 0.00 0.97 0.00 0.00 170 G 9.63 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 0.00 171 W 9.47 3.92 0.00 3.64 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