NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.1720 8.3144 120.1383 56.2548 34.5182 175.8843 4 C 3.9702 8.3042 125.8611 56.4926 43.5159 171.7719 5 S 4.7760 9.0636 122.9473 56.0805 64.1950 173.5009 6 L 4.0450 7.7769 126.0729 57.8080 41.6915 178.4837 7 T 4.3621 6.8848 114.7648 63.2958 69.4270 172.2840 8 G 3.7190 7.9340 112.6836 44.1267 0.0000 171.9307 9 K 5.1229 8.1326 120.0149 54.4173 35.6953 175.6724 10 W 5.1436 9.4107 123.8464 55.1868 33.6931 174.0411 11 T 5.2568 9.5458 115.4554 60.7484 71.1398 172.2550 12 N 5.9056 8.8260 122.1377 50.5287 41.4832 175.7447 13 D 4.4129 8.5821 118.5765 55.6322 39.7960 177.0966 14 L 4.3400 7.9313 117.7310 54.5787 42.1472 176.9610 15 G 3.9381 8.1222 107.3064 45.3038 0.0000 173.9391 16 S 4.6065 7.7600 115.1530 58.1387 64.4142 172.9059 17 N 5.7109 8.8105 119.7094 51.8807 42.3945 173.4645 18 M 5.0493 9.1009 118.2281 54.2732 35.2392 173.6055 19 T 5.0264 9.5156 119.4481 61.8341 71.8697 172.9210 20 I 4.6418 9.2680 128.6105 59.1451 39.7515 176.6642 21 G 4.1365 9.3732 115.1294 46.0687 0.0000 171.6639 22 A 5.0026 8.5662 123.4338 49.7173 21.2451 176.8585 23 V 5.2545 7.9828 119.7008 61.3824 33.5251 175.1087 24 N 5.1862 8.2034 120.7178 51.6442 41.2404 175.5548 25 S 4.1782 8.6173 113.7506 62.2820 62.9682 175.5310 26 R 4.1835 8.0315 116.2443 55.8444 30.1351 176.6637 27 G 4.2670 8.0407 105.9042 46.2054 0.0000 173.6711 28 E 4.5685 7.8537 118.7278 55.9127 31.5381 175.2789 29 F 5.1604 7.8243 115.0155 57.0526 41.2479 172.2266 30 T 5.0754 7.9358 108.5558 60.7805 72.3729 172.9052 31 G 3.9094 7.5020 106.9630 46.4266 0.0000 171.7568 32 T 4.9455 8.3561 109.0832 60.1822 72.8349 172.3018 33 Y 4.9065 9.7377 124.5203 56.1762 42.3066 174.4274 34 T 4.9556 8.7420 122.9610 62.0303 71.3130 172.9630 35 T 4.7349 9.0657 121.3338 61.1117 68.3704 174.7375 36 A 4.1630 10.1277 132.4956 54.4359 18.6776 177.8452 37 V 4.5833 7.4892 106.5933 59.7961 35.3498 174.5825 38 T 4.5236 8.0408 109.8483 60.3388 71.6302 173.5558 39 A 4.5353 8.3374 123.0211 52.1767 20.2317 176.7476 40 T 4.5762 7.2330 112.9421 61.3872 70.5823 175.4961 41 S 4.3067 8.3507 120.0955 57.0762 61.7473 171.7673 42 N 4.0662 8.5485 119.3081 54.1355 40.9064 173.4951 43 E 3.6749 8.5513 128.3696 55.2192 28.6167 176.5159 44 I 2.0710 7.7612 127.0961 61.3669 37.6165 175.7242 45 K 4.6645 7.1618 121.2514 54.3331 36.2448 175.3870 46 E 4.5917 8.7009 121.7481 56.5705 30.1490 175.9386 47 S 5.0855 9.4141 122.3187 55.9752 67.7925 171.6689 48 P 5.0889 0.0000 0.0000 62.6475 32.7981 174.9093 49 L 5.8629 8.3646 120.3531 53.5346 44.6198 174.6155 50 H 4.8767 8.8386 119.4098 54.7427 32.8518 171.2174 51 G 3.8905 7.6293 114.9635 46.2646 0.0000 171.2872 52 T 4.2439 7.2254 112.9206 61.6354 70.9140 172.7199 53 E 4.9919 8.9296 128.3988 54.2600 33.1232 174.2616 54 N 4.5606 8.6162 125.3906 54.3953 39.6548 174.4056 55 T 4.2798 8.4645 114.5699 63.4678 70.0671 175.5453 56 I 3.6400 7.6715 121.7755 61.1543 37.5588 173.2011 57 N 4.4806 8.4915 121.7868 53.7177 37.3183 173.4920 58 K 4.4541 8.6922 122.2257 57.0729 34.2103 177.6897 59 R 3.1405 7.7918 111.4236 56.9841 30.9365 179.3791 60 T 3.7721 7.2751 116.3843 63.7267 69.6739 173.5310 61 Q 4.5674 7.5542 124.2412 53.4822 30.8524 172.9751 62 P 4.8233 0.0000 0.0000 61.8523 33.6348 175.3821 63 T 4.7706 8.1013 111.3176 61.1322 71.6523 172.7840 64 F 4.7551 7.6129 115.7380 57.1834 41.7949 172.7490 65 G 4.4865 8.4750 102.1650 45.8840 0.0000 172.8396 66 F 5.4683 8.2185 118.2168 55.2788 42.3833 173.4528 67 T 5.1163 8.9546 114.5834 61.7354 72.2862 173.5013 68 V 4.4634 8.3921 124.3748 61.2242 34.3560 174.2485 69 N 4.6644 8.3502 128.1243 51.1173 37.7174 172.7023 70 W 4.4283 7.0127 118.9540 57.0987 29.3709 176.2880 71 K 4.3400 9.6913 124.5486 57.4306 32.0368 177.4869 72 F 5.0055 7.5156 113.0587 55.8371 38.2640 174.0724 73 S 4.3779 7.4711 113.4861 58.8584 64.5971 174.4167 74 E 4.3484 8.6409 120.2558 56.5632 29.3378 176.4250 75 S 4.9327 8.3083 116.9988 57.5317 65.9591 172.9505 76 T 5.0540 8.5543 115.7703 62.3715 72.6508 173.6857 77 T 5.2470 8.3646 119.9535 61.9681 72.9744 173.4064 78 V 4.9279 8.7845 117.1558 59.6782 35.8527 174.7202 79 F 5.3151 8.6792 122.4936 56.2683 42.8322 174.1638 80 T 4.5537 7.7022 114.3881 61.2368 71.2249 173.7490 81 G 3.9001 6.7712 113.3229 45.7407 0.0000 171.2584 82 Q 4.7305 7.7087 120.2877 54.2066 32.7604 175.0517 83 C 5.0188 8.9604 126.4182 56.0150 41.1699 172.7338 84 F 5.1113 9.5000 125.3839 56.0733 42.2051 175.2790 85 I 5.7031 8.6301 120.4133 58.3147 38.3749 175.0347 86 D 4.5329 8.8729 126.0176 54.6526 39.2194 177.4641 87 R 4.3607 8.0829 127.2839 56.6730 33.4766 175.9858 88 N 4.1161 8.3054 114.6362 56.3174 38.6318 176.1192 89 G 4.2158 7.6722 104.0161 45.1434 0.0000 173.0578 90 K 4.3752 8.1613 119.8101 55.6281 33.2107 176.0446 91 E 5.1860 8.8876 124.6302 55.7533 31.5131 175.9645 92 V 4.9170 9.1507 122.1778 61.6122 35.6818 173.5615 93 L 5.0883 9.3858 128.3092 53.4080 43.6852 175.5083 94 K 5.2072 9.4790 124.3356 55.0092 34.5330 175.4075 95 T 5.2524 9.2869 114.9896 60.1510 72.8422 172.5553 96 M 5.2680 8.8449 121.1976 53.7354 36.2328 173.9130 97 W 5.2503 8.4871 121.4359 54.8972 32.7804 173.5178 98 L 5.2686 8.8567 119.6475 52.9613 44.6404 175.4435 99 L 4.9990 9.2392 126.9247 53.4166 44.4056 174.7616 100 R 4.9839 9.2742 128.0040 55.1246 31.7052 175.5923 101 S 5.0865 8.4403 122.2302 56.2914 65.2792 173.5304 102 S 4.5583 8.4001 116.3245 57.7362 63.0194 173.7069 103 V 4.5281 8.2183 118.6387 59.7874 34.8177 175.3758 104 N 4.6962 8.5763 117.7429 53.9155 39.3938 175.0650 105 D 4.7438 7.6765 117.7098 52.2092 44.5735 175.6321 106 I 3.7400 8.7626 126.9094 64.5880 37.3750 178.0475 107 G 3.8990 8.7181 108.9475 48.4342 0.0000 174.1118 108 D 4.6720 8.6627 119.2515 55.7110 41.7493 178.4702 109 D 4.3182 8.4243 120.1905 56.8646 41.6265 178.5385 110 W 4.4385 8.3834 115.4243 59.0080 27.7136 176.7157 111 K 3.8760 6.7905 114.8451 56.0344 32.0520 176.3488 112 A 4.2741 7.9015 121.2834 52.9547 18.8515 177.2558 113 T 5.1061 7.5260 113.0614 61.9677 71.2710 173.7179 114 R 4.8886 8.6481 124.9699 54.5260 33.3211 175.4389 115 V 4.5113 8.7164 119.7730 59.3964 35.3894 174.7144 116 G 3.2737 5.6398 104.9732 46.2942 0.0000 170.1226 117 I 4.9429 7.0403 113.4758 60.0230 40.9749 174.3128 118 N 4.7804 8.4427 114.2264 53.1215 43.7393 174.0235 119 I 5.2048 8.9201 124.5379 59.6164 40.2906 174.5580 120 F 6.3000 9.6779 125.1405 55.2309 42.4346 174.4102 121 T 5.5208 8.7295 111.9782 60.0403 72.7150 173.0237 122 R 4.5367 8.5444 118.5158 55.3037 31.3365 175.7300 123 L 4.4180 7.6773 121.2605 53.5610 42.1504 177.4510 124 R 3.9261 8.6178 121.0205 56.5429 30.1414 176.7140 125 T 3.6749 8.2743 107.1000 62.2620 69.8643 171.7953 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 K 8.31 4.17 0.00 1.79 1.89 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.46 7.81 4 C 8.30 3.97 0.00 3.21 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 5 S 9.06 4.78 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 6 L 7.78 4.04 0.00 1.15 1.01 -0.42 0.58 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 7 T 6.88 4.36 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 8 G 7.93 3.72 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 0.00 0.00 0.00 9 K 8.13 5.12 0.00 1.51 1.58 0.00 1.53 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.30 7.81 10 W 9.41 5.14 0.00 3.20 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 11 T 9.55 5.26 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 1.26 0.00 0.00 12 N 8.83 5.91 0.00 2.84 2.80 0.00 0.00 6.69 7.51 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 13 D 8.58 4.41 0.00 2.81 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 14 L 7.93 4.34 0.00 1.68 1.77 1.00 1.03 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 15 G 8.12 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 16 S 7.76 4.61 0.00 3.85 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 17 N 8.81 5.71 0.00 2.52 2.61 0.00 0.00 6.63 7.41 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 18 M 9.10 5.05 0.00 1.52 1.82 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 19 T 9.52 5.03 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 20 I 9.27 4.64 1.90 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.48 0.61 0.00 0.00 21 G 9.37 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 22 A 8.57 5.00 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 23 V 7.98 5.25 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 0.99 0.00 0.00 24 N 8.20 5.19 0.00 2.87 2.75 0.00 0.00 6.85 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 25 S 8.62 4.18 0.00 3.87 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 26 R 8.03 4.18 0.00 1.90 1.96 0.00 3.54 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 27 G 8.04 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 0.00 0.00 0.00 0.00 28 E 7.85 4.57 0.00 1.91 1.73 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 2.33 2.29 0.00 29 F 7.82 5.16 0.00 3.09 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 30 T 7.94 5.08 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 31 G 7.50 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 0.00 0.00 0.00 0.00 32 T 8.36 4.95 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 1.23 0.00 0.00 33 Y 9.74 4.91 0.00 2.91 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 34 T 8.74 4.96 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 1.26 0.00 0.00 35 T 9.07 4.73 4.77 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 1.28 0.00 0.00 36 A 10.13 4.16 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 37 V 7.49 4.58 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 0.81 0.00 0.00 0.92 0.00 0.00 38 T 8.04 4.52 4.31 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 1.10 0.00 0.00 39 A 8.34 4.54 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.23 4.58 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 1.29 0.00 0.00 41 S 8.35 4.31 0.00 3.98 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 0.00 42 N 8.55 4.07 0.00 2.72 3.02 0.00 0.00 7.19 7.65 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 43 E 8.55 3.67 0.00 1.95 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 2.25 2.32 0.00 44 I 7.76 2.07 1.59 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 0.71 0.33 0.74 0.00 0.00 45 K 7.16 4.66 0.00 1.97 1.77 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.63 7.81 46 E 8.70 4.59 0.00 2.04 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 2.36 2.40 0.00 47 S 9.41 5.09 0.00 3.89 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 48 P 0.00 5.09 0.00 2.08 2.15 0.00 3.65 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 49 L 8.36 5.86 0.00 1.85 1.79 0.80 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.84 4.88 0.00 3.16 3.10 0.00 5.80 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 51 G 7.63 3.89 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 0.00 0.00 0.00 52 T 7.23 4.24 4.12 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 1.27 0.00 0.00 53 E 8.93 4.99 0.00 2.40 1.97 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 2.32 2.37 0.00 54 N 8.62 4.56 0.00 2.77 2.74 0.00 0.00 7.22 7.58 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 55 T 8.46 4.28 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 1.28 0.00 0.00 56 I 7.67 3.64 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.69 0.92 0.00 0.00 57 N 8.49 4.48 0.00 2.71 2.85 0.00 0.00 6.77 7.61 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 58 K 8.69 4.45 0.00 1.77 1.67 0.00 1.64 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.36 7.81 59 R 7.79 3.14 0.00 1.92 1.73 0.00 3.40 0.00 0.00 3.23 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 60 T 7.28 3.77 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 1.25 0.00 0.00 61 Q 7.55 4.57 0.00 1.83 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 62 P 0.00 4.82 0.00 2.17 2.18 0.00 3.68 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 63 T 8.10 4.77 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 64 F 7.61 4.76 0.00 3.40 3.25 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 65 G 8.48 4.49 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 0.00 0.00 0.00 66 F 8.22 5.47 0.00 3.35 3.38 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 67 T 8.95 5.12 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 1.18 0.00 0.00 68 V 8.39 4.46 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 -0.36 0.00 0.00 1.02 0.00 0.00 69 N 8.35 4.66 0.00 2.67 2.62 0.00 0.00 7.26 7.77 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 70 W 7.01 4.43 0.00 3.09 2.30 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 71 K 9.69 4.34 0.00 1.92 2.01 0.00 1.71 0.00 0.00 1.92 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.59 7.81 72 F 7.52 5.01 0.00 3.25 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 73 S 7.47 4.38 0.00 3.54 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 74 E 8.64 4.35 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 2.26 2.31 0.00 75 S 8.31 4.93 0.00 3.71 4.07 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 0.00 0.00 0.00 76 T 8.55 5.05 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 77 T 8.36 5.25 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 78 V 8.78 4.93 2.04 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 0.82 0.00 0.00 0.89 0.00 0.00 79 F 8.68 5.32 0.00 1.59 2.47 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 80 T 7.70 4.55 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 81 G 6.77 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 0.00 0.00 0.00 82 Q 7.71 4.73 0.00 1.72 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.85 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 83 C 8.96 5.02 0.00 3.02 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 F 9.50 5.11 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 85 I 8.63 5.70 1.97 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 1.11 1.13 0.98 0.00 0.00 86 D 8.87 4.53 0.00 2.78 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 87 R 8.08 4.36 0.00 1.84 1.89 0.00 3.23 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 88 N 8.31 4.12 0.00 3.07 2.91 0.00 0.00 7.40 7.71 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 89 G 7.67 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 0.00 0.00 0.00 0.00 90 K 8.16 4.38 0.00 2.08 1.83 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.44 7.81 91 E 8.89 5.19 0.00 2.32 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 2.36 2.36 0.00 92 V 9.15 4.92 2.32 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 1.04 0.00 0.00 1.08 0.00 0.00 93 L 9.39 5.09 0.00 1.59 1.63 0.30 -1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 94 K 9.48 5.21 0.00 2.07 1.93 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.65 7.81 95 T 9.29 5.25 4.68 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 1.57 0.00 0.00 96 M 8.84 5.27 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.30 0.00 97 W 8.49 5.25 0.00 2.65 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 0.00 0.00 0.00 0.00 98 L 8.86 5.27 0.00 1.59 1.59 0.89 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 99 L 9.24 5.00 0.00 1.74 1.77 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 100 R 9.27 4.98 0.00 1.92 1.78 0.00 3.16 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 101 S 8.44 5.09 0.00 3.74 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.40 4.56 0.00 3.86 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 0.00 103 V 8.22 4.53 2.04 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 0.71 0.00 0.00 0.90 0.00 0.00 104 N 8.58 4.70 0.00 2.69 2.86 0.00 0.00 6.64 8.06 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 0.00 105 D 7.68 4.74 0.00 2.62 2.46 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 0.00 106 I 8.76 3.74 1.90 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 1.36 0.35 0.93 0.00 0.00 107 G 8.72 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 0.00 0.00 0.00 108 D 8.66 4.67 0.00 2.82 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 0.00 109 D 8.42 4.32 0.00 2.80 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 0.00 110 W 8.38 4.44 0.00 3.64 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 0.00 111 K 6.79 3.88 0.00 1.18 0.74 0.00 1.07 0.00 0.00 0.61 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.61 0.84 7.81 112 A 7.90 4.27 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 0.00 113 T 7.53 5.11 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 0.00 114 R 8.65 4.89 0.00 1.87 2.06 0.00 3.07 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 115 V 8.72 4.51 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 0.56 0.00 0.00 0.64 0.00 0.00 116 G 5.64 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 0.00 0.00 0.00 117 I 7.04 4.94 2.05 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 1.45 1.10 0.82 0.00 0.00 118 N 8.44 4.78 0.00 3.42 2.84 0.00 0.00 7.27 7.46 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 0.00 119 I 8.92 5.20 1.94 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 1.37 0.90 1.12 0.00 0.00 120 F 9.68 6.30 0.00 2.82 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 0.00 121 T 8.73 5.52 4.39 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 1.38 0.00 0.00 122 R 8.54 4.54 0.00 1.47 1.38 0.00 2.66 0.00 0.00 2.84 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.38 0.00 123 L 7.68 4.42 0.00 1.55 1.58 0.89 0.86 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 0.00 124 R 8.62 3.93 0.00 1.88 1.92 0.00 3.16 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 125 T 8.27 3.67 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 1.18 0.00 0.00