NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4420 0.0000 0.0000 62.6228 32.5696 176.4026 2 S 4.6244 7.8082 110.6425 57.2513 64.3279 173.0114 3 H 5.2843 7.9194 116.3959 55.0831 31.0914 173.7940 4 S 4.9222 8.0809 111.5823 57.8424 65.9796 172.8602 5 G 4.1856 8.7989 107.5396 46.1816 0.0000 171.4882 6 A 5.4532 8.2951 121.0913 50.0434 21.0448 175.7333 7 A 4.6437 8.4839 122.9145 50.4517 23.6589 174.7092 8 I 4.4545 9.3642 122.2898 60.3508 39.5819 174.4288 9 F 4.3217 8.3268 131.0844 56.6623 42.1536 174.7030 10 E 3.6005 8.5791 122.4749 57.0117 27.1260 174.3942 11 K 3.7335 8.1554 113.9293 57.0292 29.0318 177.1893 12 V 4.2447 7.8780 118.3874 61.5288 33.6650 173.9417 13 S 4.2015 8.7562 123.3435 59.0954 63.3407 174.1057 14 G 4.6006 8.4955 112.4740 46.7086 0.0000 171.4026 15 I 5.1033 8.0510 119.7129 59.6414 41.8743 174.7569 16 I 5.0766 9.4889 125.8804 59.7818 40.5131 174.7227 17 A 4.9229 9.4265 126.9962 50.6260 22.4713 175.0983 18 I 4.4964 8.5976 124.3024 60.1422 38.7496 176.4662 19 N 4.7209 9.4369 127.6728 51.9266 37.5755 174.2021 20 E 4.3897 8.0354 117.6740 56.1484 30.1612 177.5552 21 D 4.5164 8.0941 121.7511 56.2558 41.5599 177.0813 22 V 4.2464 7.4700 118.1235 59.8791 32.9089 176.2332 23 S 4.0346 8.6071 118.2900 61.8377 62.9779 174.3848 24 P 4.3940 0.0000 0.0000 63.0570 31.2554 174.0938 25 A 4.0106 7.8982 126.1665 51.6465 18.9791 175.7220 26 E 4.7621 8.5098 117.8159 55.2873 35.2798 173.7423 27 L 4.9914 8.8639 123.3428 53.7523 44.5189 174.9987 28 T 4.8339 9.4711 124.3308 61.4580 71.1911 173.1033 29 W 5.2546 9.1389 135.0000 55.4692 34.3286 174.1280 30 R 3.9441 7.3001 121.1767 53.6870 31.5289 174.5841 31 S 4.1528 7.7948 116.8054 58.8567 63.3764 175.9672 32 T 3.9260 8.6066 116.9414 66.3398 68.5203 174.5251 33 D 4.6428 6.5284 118.2103 54.9225 44.2818 176.3737 34 G 4.0406 7.3755 103.5614 45.1254 0.0000 172.8650 35 D 4.1978 8.0638 115.6731 54.5335 39.9782 172.8482 36 K 4.7146 7.4064 113.4061 54.1680 35.2852 175.6947 37 V 4.7517 8.0765 122.2817 62.1051 35.2900 174.1018 38 H 4.7390 9.9287 123.3130 55.3669 32.9221 172.6008 39 T 4.9975 8.5714 120.2638 61.7072 71.0137 174.2678 40 V 4.4494 8.9712 118.4016 59.4576 35.3846 174.6896 41 V 4.4944 8.0499 123.2710 60.7943 33.9201 176.3054 42 L 4.3494 8.3833 126.1504 57.2681 41.4880 179.4903 43 S 4.1768 7.8387 113.4230 61.2729 63.0756 175.0475 44 T 4.2373 8.1874 113.7244 61.7218 68.5510 173.2358 45 I 5.3027 7.5963 120.9282 58.7330 39.1257 174.2270 46 D 5.1751 8.5369 127.5848 53.4393 41.9901 175.4486 47 K 4.7859 7.7221 113.8868 54.7155 36.5063 174.5014 48 L 5.2194 8.5049 122.7320 54.1151 44.0776 175.5318 49 Q 4.5149 9.5672 120.8777 54.6587 32.1168 173.6084 50 A 5.0694 8.5786 127.1060 49.9758 22.6085 175.1276 51 T 4.3639 7.7376 108.9129 60.2052 70.4301 173.0887 52 P 4.4553 0.0000 0.0000 62.0527 32.2830 177.2901 53 A 4.0290 8.4123 122.1914 55.1159 18.4479 179.4464 54 S 4.2015 7.9647 109.7938 60.6632 63.4366 174.7180 55 S 4.1893 7.6156 116.6020 58.0251 62.8508 173.9386 56 E 4.0662 8.9320 126.1361 58.9785 29.6581 178.4045 57 K 4.1686 7.6852 116.2517 58.3399 33.1824 175.8733 58 M 4.3840 8.2129 112.3451 56.0573 32.8202 173.3571 59 M 4.9457 8.0263 119.8438 54.5865 35.0905 173.5719 60 L 5.1061 7.9720 119.8760 54.3806 44.7490 174.8535 61 R 5.1552 9.6118 116.5899 54.7401 33.2038 173.7891 62 L 5.1261 9.0350 121.5672 53.2406 44.5311 175.5665 63 I 4.3381 9.2477 125.7164 59.9618 38.8609 176.4082 64 G 4.7082 8.9257 114.0527 47.3004 0.0000 174.0811 65 K 3.5379 8.3207 117.4750 57.9059 33.5704 172.9021 66 V 4.5392 7.7366 115.8896 62.1116 34.4524 173.1117 67 D 5.0712 8.2563 120.7172 53.8008 41.6081 178.6783 68 E 3.7647 8.4844 120.8088 58.8845 29.6975 178.1284 69 S 4.7739 8.0135 110.4372 57.6441 63.2204 173.8322 70 K 4.2736 7.7098 117.1362 56.3822 34.4290 176.6891 71 K 3.7377 8.5843 119.1459 56.2014 32.0505 173.8935 72 R 4.7862 7.8571 116.7222 54.8181 34.2672 174.1682 73 K 4.9297 8.1368 116.5472 56.2360 34.8192 174.0103 74 D 4.8007 7.5124 117.3620 53.9739 47.3800 175.9350 75 N 4.5921 7.5055 115.4022 53.1581 40.9854 175.6580 76 E 4.3372 8.4788 119.6711 56.4624 30.9551 176.4867 77 G 4.0608 8.2047 109.1016 45.4577 0.0000 173.0771 78 N 4.9430 7.7786 115.5497 50.7981 39.8266 173.8891 79 E 5.2842 8.2502 116.1352 54.1267 31.5006 175.4700 80 V 4.6998 8.1709 116.3226 59.1373 35.9876 175.2505 81 V 4.1324 8.2084 122.2230 60.0104 32.5026 176.3170 82 P 4.5732 0.0000 0.0000 62.2970 31.4751 175.3698 83 K 4.4002 8.4188 122.5030 55.1560 33.0610 174.8422 84 P 4.3819 0.0000 0.0000 62.8526 32.1073 175.7515 85 Q 4.5271 8.4149 117.4965 54.6923 31.1513 174.2483 86 R 4.9948 8.6235 120.1062 54.5489 32.5938 174.8261 87 H 4.9616 9.4846 116.7876 54.1725 32.1713 172.6538 88 M 5.2639 8.3499 121.5382 53.7307 34.9633 174.4326 89 F 4.9124 8.9169 119.4908 55.6552 41.8539 173.4566 90 S 4.6818 8.6418 117.3512 57.8442 64.6554 173.7720 91 F 4.9081 9.2492 122.4870 55.7610 41.3464 175.1257 92 N 5.0875 8.1614 114.1174 52.5325 39.4780 174.5359 93 N 4.3766 7.7764 115.1897 52.2943 41.8471 175.2952 94 R 3.8824 8.1702 123.8523 59.8697 30.2266 179.5208 95 T 3.9927 7.9210 115.0069 66.4417 68.3418 176.6757 96 V 3.8196 7.8417 119.9990 66.2798 31.6332 177.8824 97 M 3.3122 7.8765 116.5145 58.1752 30.9575 178.0148 98 D 4.1701 8.5336 119.6567 56.8418 40.8585 177.8009 99 N 4.3383 8.9527 118.0771 56.6681 38.4663 177.4921 100 I 3.9464 7.7389 120.6857 63.8959 37.1892 178.1754 101 K 4.1297 8.6892 121.4373 59.9244 31.6117 178.6552 102 M 3.8061 8.4060 117.4019 58.5973 31.0480 178.7157 103 T 3.9303 7.5590 115.7417 66.6734 68.5971 176.8134 104 L 4.1097 9.0012 121.9747 57.8630 41.5165 179.5154 105 Q 3.7346 8.9177 118.9726 58.9702 28.4719 179.1685 106 Q 4.0148 7.7673 118.5264 58.8781 28.9505 178.5186 107 I 3.7994 7.6945 120.5301 64.5284 37.2091 178.1428 108 I 3.8048 8.7935 120.6400 64.4600 37.6272 177.7808 109 S 4.1550 7.9763 113.5504 61.2423 62.1939 176.4317 110 R 3.8992 8.2715 121.1839 59.6094 29.7553 178.7178 111 Y 3.9823 8.7602 116.6941 60.4679 37.5803 178.0431 112 K 4.1999 8.0819 120.0400 58.8106 32.4279 178.0249 113 D 4.4445 8.2838 118.1519 56.8885 41.2518 177.7226 114 A 4.0943 7.8217 120.3125 55.1701 18.5651 176.7765 115 D 4.4493 7.5200 118.3562 54.6871 41.2719 175.7902 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 P 0.00 4.44 0.00 2.10 2.16 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.10 0.00 2 S 7.81 4.62 0.00 4.06 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 3 H 7.92 5.28 0.00 3.25 3.50 0.00 5.63 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 4 S 8.08 4.92 0.00 3.88 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.80 4.19 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 0.00 6 A 8.30 5.45 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 7 A 8.48 4.64 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 9.36 4.45 1.92 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 1.40 1.42 0.93 0.00 0.00 9 F 8.33 4.32 0.00 1.51 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 10 E 8.58 3.60 0.00 2.25 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 2.25 2.55 0.00 11 K 8.16 3.73 0.00 1.90 1.90 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.31 7.81 12 V 7.88 4.24 2.41 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 1.06 0.00 0.00 1.06 0.00 0.00 13 S 8.76 4.20 0.00 4.00 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 14 G 8.50 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.05 5.10 1.67 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 1.11 0.89 0.90 0.00 0.00 16 I 9.49 5.08 2.04 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.14 1.07 0.00 0.00 17 A 9.43 4.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.60 4.50 2.09 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.56 0.98 0.00 0.00 19 N 9.44 4.72 0.00 2.66 2.77 0.00 0.00 6.88 7.52 0.00 0.00 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 E 8.04 4.39 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 2.33 2.39 0.00 21 D 8.09 4.52 0.00 2.66 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.47 4.25 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 0.98 0.00 0.00 0.95 0.00 0.00 23 S 8.61 4.03 0.00 3.87 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 24 P 0.00 4.39 0.00 2.35 2.32 0.00 3.46 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 25 A 7.90 4.01 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 26 E 8.51 4.76 0.00 1.91 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 2.26 2.29 0.00 27 L 8.86 4.99 0.00 1.71 1.46 1.03 1.04 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 28 T 9.47 4.83 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 1.14 0.00 0.00 29 W 9.14 5.25 0.00 3.14 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.30 3.94 0.00 1.68 1.57 0.00 2.71 0.00 0.00 2.87 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.45 0.00 31 S 7.79 4.15 0.00 3.65 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 32 T 8.61 3.93 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 33 D 6.53 4.64 0.00 2.51 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 34 G 7.38 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 35 D 8.06 4.20 0.00 2.70 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 K 7.41 4.71 0.00 1.76 1.71 0.00 1.81 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.48 7.81 37 V 8.08 4.75 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 0.64 0.00 0.00 0.79 0.00 0.00 38 H 9.93 4.74 0.00 2.78 2.76 0.00 5.62 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.57 5.00 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 1.26 0.00 0.00 40 V 8.97 4.45 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 0.54 0.00 0.00 0.88 0.00 0.00 41 V 8.05 4.49 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 1.23 0.00 0.00 1.00 0.00 0.00 42 L 8.38 4.35 0.00 0.45 0.13 0.96 0.93 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 43 S 7.84 4.18 0.00 3.87 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 44 T 8.19 4.24 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 1.29 0.00 0.00 45 I 7.60 5.30 1.86 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 1.40 1.94 0.88 0.00 0.00 46 D 8.54 5.18 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.72 4.79 0.00 1.72 1.64 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.43 7.81 48 L 8.50 5.22 0.00 1.62 1.64 0.93 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 9.57 4.51 0.00 2.13 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.67 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 50 A 8.58 5.07 1.08 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 0.00 0.00 51 T 7.74 4.36 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 1.16 0.00 0.00 52 P 0.00 4.46 0.00 2.22 2.19 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 53 A 8.41 4.03 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 54 S 7.96 4.20 0.00 3.98 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 55 S 7.62 4.19 0.00 4.00 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 56 E 8.93 4.07 0.00 1.95 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 2.31 2.36 0.00 57 K 7.69 4.17 0.00 1.84 1.86 0.00 1.56 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.40 7.81 58 M 8.21 4.38 0.00 2.03 2.30 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 2.63 2.48 0.00 59 M 8.03 4.95 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 60 L 7.97 5.11 0.00 1.67 1.53 0.85 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 61 R 9.61 5.16 0.00 1.95 2.04 0.00 2.73 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 62 L 9.03 5.13 0.00 1.66 1.65 0.94 1.08 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 63 I 9.25 4.34 2.00 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 1.16 0.83 0.93 0.00 0.00 64 G 8.93 4.71 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 0.00 0.00 0.00 65 K 8.32 3.54 0.00 1.93 1.87 0.00 1.56 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.58 7.81 66 V 7.74 4.54 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 0.79 0.00 0.00 0.93 0.00 0.00 67 D 8.26 5.07 0.00 2.78 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 68 E 8.48 3.76 0.00 1.96 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 2.32 2.30 0.00 69 S 8.01 4.77 0.00 3.78 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 70 K 7.71 4.27 0.00 1.83 1.99 0.00 1.98 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.37 7.81 71 K 8.58 3.74 0.00 1.84 1.86 0.00 1.88 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.47 1.54 7.81 72 R 7.86 4.79 0.00 1.85 1.77 0.00 3.29 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 73 K 8.14 4.93 0.00 1.78 1.78 0.00 1.46 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.64 7.81 74 D 7.51 4.80 0.00 2.62 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.51 4.59 0.00 2.65 2.75 0.00 0.00 6.82 7.66 0.00 0.00 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 E 8.48 4.34 0.00 1.95 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 2.24 2.23 0.00 77 G 8.20 4.06 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 0.00 0.00 0.00 78 N 7.78 4.94 0.00 2.80 2.84 0.00 0.00 5.77 7.66 0.00 0.00 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 E 8.25 5.28 0.00 1.81 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 0.00 2.20 2.16 0.00 80 V 8.17 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 0.70 0.00 0.00 0.95 0.00 0.00 81 V 8.21 4.13 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 0.75 0.00 0.00 0.94 0.00 0.00 82 P 0.00 4.57 0.00 2.06 1.98 0.00 3.66 0.00 0.00 3.66 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 83 K 8.42 4.40 0.00 1.71 1.74 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.50 7.81 84 P 0.00 4.38 0.00 2.02 2.18 0.00 3.61 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 85 Q 8.41 4.53 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 86 R 8.62 4.99 0.00 1.93 1.92 0.00 3.10 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 87 H 9.48 4.96 0.00 3.06 3.23 0.00 5.55 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 M 8.35 5.26 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 89 F 8.92 4.91 0.00 3.00 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 90 S 8.64 4.68 0.00 3.83 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 91 F 9.25 4.91 0.00 2.77 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 92 N 8.16 5.09 0.00 2.76 2.81 0.00 0.00 6.86 7.93 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 93 N 7.78 4.38 0.00 2.77 2.70 0.00 0.00 7.13 7.68 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 94 R 8.17 3.88 0.00 1.86 1.94 0.00 3.32 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 95 T 7.92 3.99 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 1.29 0.00 0.00 96 V 7.84 3.82 2.52 0.00 0.00 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 0.00 0.00 1.03 0.00 0.00 97 M 7.88 3.31 0.00 1.37 1.62 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.62 0.00 98 D 8.53 4.17 0.00 2.90 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 99 N 8.95 4.34 0.00 3.01 2.97 0.00 0.00 7.14 7.16 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 0.00 100 I 7.74 3.95 2.16 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.06 1.14 0.00 0.00 101 K 8.69 4.13 0.00 1.78 1.93 0.00 1.59 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.40 7.81 102 M 8.41 3.81 0.00 2.31 2.33 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.65 0.00 103 T 7.56 3.93 4.47 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 1.38 0.00 0.00 104 L 9.00 4.11 0.00 1.74 1.78 1.09 1.00 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 0.00 105 Q 8.92 3.73 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 106 Q 7.77 4.01 0.00 2.34 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 107 I 7.69 3.80 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.73 1.20 0.00 0.00 108 I 8.79 3.80 2.08 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.64 1.02 0.00 0.00 109 S 7.98 4.16 0.00 4.12 4.09 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 0.00 0.00 0.00 110 R 8.27 3.90 0.00 2.09 1.85 0.00 3.16 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 1.64 1.79 0.00 111 Y 8.76 3.98 0.00 3.05 3.34 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 0.00 112 K 8.08 4.20 0.00 2.03 1.87 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.22 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.51 7.81 113 D 8.28 4.44 0.00 2.89 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 7.82 4.09 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 0.00 115 D 7.52 4.45 0.00 2.86 2.60 0.00 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