NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 A 4.2998 8.2644 123.5850 51.4214 20.2271 175.9854 -2 E 3.8667 8.2643 119.6873 55.6672 30.1578 174.1164 -1 A 4.2970 8.9677 127.0002 51.9190 20.6762 177.3094 -2 K 3.8367 8.1343 119.8873 55.2672 33.3578 174.1164 -1 V 4.0970 8.7577 122.4002 61.6190 34.4762 175.8094 3 F 4.2981 8.9982 126.9337 57.3677 39.7081 175.3306 4 E 4.3869 8.7199 122.9377 55.4756 31.3030 177.3838 5 R 3.2802 8.7308 124.1703 60.1804 30.0710 179.3928 6 C 4.3160 8.1127 115.1813 59.6630 40.3351 175.6148 7 E 3.8363 8.0738 120.9123 59.0077 29.2293 178.4104 8 L 3.1809 7.8270 120.3355 57.5902 42.0238 178.7130 9 A 3.8946 7.8777 120.7670 55.2063 18.3090 179.8405 10 R 3.8156 8.1740 116.7652 59.6535 30.0971 179.4256 11 T 3.8110 7.9912 115.6176 66.6896 68.4353 176.6067 12 L 3.8056 7.9435 121.0956 57.5975 41.5633 179.6156 13 K 3.8850 7.9501 119.4413 59.5748 31.9788 178.7766 14 R 3.9127 7.8676 117.6736 59.1253 29.9139 177.3290 15 L 4.4703 7.7026 116.8102 54.2390 41.7127 177.3227 16 G 3.9296 7.8916 106.1764 46.4872 0.0000 175.3406 17 M 3.8936 8.0174 121.4634 57.0988 32.1056 175.6340 18 D 4.3965 7.9406 117.5801 56.7839 40.4738 175.8716 19 G 3.9859 9.5272 116.8373 44.7845 0.0000 171.2123 20 Y 4.1211 8.0032 121.7730 59.0284 38.9517 176.2901 21 R 3.6396 8.7087 125.5583 57.1789 27.7474 176.8232 22 G 3.7919 8.3368 103.2842 46.1682 0.0000 174.1017 23 I 4.0790 7.5805 121.7987 59.1305 38.0629 176.0582 24 S 4.8225 8.2736 120.8614 57.6175 65.1774 174.8123 25 L 4.1125 8.7870 124.0215 58.5509 41.7573 179.0225 26 A 4.2649 8.2058 120.0831 55.4038 18.1810 179.2957 27 N 4.4116 7.8901 114.0728 56.3869 38.7007 177.7618 28 W 4.2949 8.1657 120.3718 59.9313 29.0545 178.5647 29 M 4.1855 8.7621 119.2645 58.6181 31.5471 177.9840 30 C 3.2944 8.1663 118.8985 59.0417 44.3157 175.4138 31 L 4.0613 8.3209 121.9254 58.2336 41.7574 178.8451 32 A 4.2531 8.2972 122.0986 54.3319 18.2417 179.5799 33 K 3.2085 8.1867 118.1949 59.4840 32.1454 179.2186 34 W 4.3604 7.8383 117.0536 59.1720 29.0259 178.3474 35 E 4.3713 8.4088 118.8264 58.6600 29.0153 177.7314 36 S 4.5380 7.9545 109.1986 56.6412 64.8097 174.4303 37 G 3.2528 8.4422 108.9304 47.0793 0.0000 173.7128 38 Y 3.7205 7.8506 113.5406 58.4710 35.1791 168.4099 39 N 5.4846 7.6364 119.5341 52.5086 39.3485 175.7355 40 T 4.0866 8.5392 116.8716 63.9669 70.0097 175.7796 41 R 4.5412 8.1025 119.3452 55.8860 31.0746 176.5790 42 A 4.3086 7.8923 123.9779 52.3202 19.2673 177.1623 43 T 5.5153 8.2645 111.6717 59.1771 72.4611 173.4606 44 N 4.9185 8.2674 120.5092 52.0583 43.2119 172.9413 45 Y 4.6846 8.8548 126.0041 57.5876 40.6052 173.8839 46 N 4.6775 8.8614 124.6065 51.3146 39.4216 175.6905 47 A 3.6968 8.4829 128.1827 54.6250 18.4456 178.3284 48 G 3.6718 7.6669 104.4285 48.1586 0.0000 173.7570 49 D 4.7056 7.7478 118.0577 51.7343 39.8555 176.3822 50 R 4.0425 7.4477 113.7736 56.5224 28.4659 176.2982 51 S 4.8395 7.5344 111.8384 57.7001 65.7456 172.8422 52 T 5.1319 8.9099 115.8983 62.0619 72.9402 172.8390 53 D 5.4313 8.6769 125.0375 53.3631 43.0392 175.1950 54 Y 5.0897 9.1356 120.4307 57.3791 42.1882 177.4485 55 G 4.4099 8.9370 111.2418 44.8358 0.0000 173.7867 56 I 4.0296 8.1131 116.4681 62.9090 37.8558 177.5241 57 F 4.7730 7.9707 115.4737 56.4133 39.9014 175.3626 58 Q 3.5983 7.9571 118.9521 57.0548 26.3873 173.6077 59 I 4.4296 8.4677 119.4499 60.4887 38.8669 175.6360 60 N 5.2677 9.1050 124.1692 53.2434 39.4654 175.6962 61 S 5.1163 8.9985 119.6638 59.6354 63.5908 175.0827 62 R 3.9125 8.8111 122.2237 57.9138 30.4351 177.1961 63 Y 4.2651 7.5616 112.5276 57.3895 40.8099 176.7599 64 W 4.7433 8.5304 118.8571 57.3486 31.2641 173.4069 65 C 5.5499 7.9225 110.8640 53.2632 41.8367 172.1055 66 N 4.8877 9.0800 120.9945 52.8380 38.9523 175.0604 67 D 4.6140 8.6490 123.7361 52.2111 40.2929 176.5138 68 G 3.9924 8.6826 107.4569 46.3723 0.0000 174.2627 69 K 4.5417 8.8510 115.2187 56.1760 33.6298 176.0670 70 T 4.4728 7.8152 116.1088 61.3112 69.3497 172.3697 71 P 4.2583 0.0000 0.0000 63.5091 31.9870 176.5900 72 G 3.7744 8.4748 108.3737 46.7290 0.0000 173.3072 73 A 4.6747 7.7673 120.1086 50.1727 21.3310 177.4811 74 V 4.3716 7.7604 112.3365 59.7249 35.4691 176.7341 75 N 4.6659 8.1890 122.5860 51.8364 37.4207 175.1636 76 A 4.0328 8.1106 123.3594 54.7187 19.1119 178.4606 77 C 4.5959 8.6672 112.1484 57.2454 41.0318 173.1721 78 H 4.0668 7.9651 115.8712 56.8731 26.3890 174.5304 79 L 4.8645 7.9798 116.9992 52.7959 45.9786 176.6346 80 S 4.7086 8.3489 115.7735 57.9203 63.3642 176.0094 81 C 4.1644 8.8674 124.9082 59.7030 37.7044 176.5963 82 S 3.9317 7.7521 115.7063 60.7885 62.3682 175.8708 83 A 4.2280 7.7669 123.2355 53.6516 17.9756 177.6734 84 L 4.6228 7.8281 116.8735 54.4608 42.1170 177.0839 85 L 5.5062 7.6088 118.4169 54.0473 42.3569 176.2872 86 Q 4.7934 7.8095 115.3032 53.8277 32.2894 175.9748 87 D 4.2810 8.6773 120.0714 57.0424 41.0764 176.5748 88 N 4.6317 8.0320 118.1049 52.9615 39.2376 174.5005 89 I 4.3591 8.3647 119.0229 60.9763 38.1316 176.8818 90 A 3.9548 8.3716 125.2579 56.0625 18.0278 180.3462 91 D 4.2567 8.0545 116.3583 57.3968 41.0004 178.4874 92 A 4.0785 8.0587 120.8254 55.2460 18.2957 179.6630 93 V 3.2499 8.2694 116.6852 66.1575 31.7646 178.1327 94 A 3.8451 7.9768 120.4369 55.1972 18.0476 178.8026 95 C 4.2411 8.5818 117.2343 59.6120 41.1624 175.6329 96 A 3.8911 8.2923 122.8946 54.9563 17.5932 179.7624 97 K 3.8111 7.8136 116.6629 59.4571 32.3177 179.2125 98 R 4.0490 7.6690 118.5067 59.3260 29.9020 178.5430 99 V 2.1355 7.4966 118.1569 65.7421 31.2859 178.0466 100 V 3.8455 7.7840 110.2271 62.9241 31.2817 178.1333 101 R 4.1175 7.7730 117.5932 57.3724 30.4789 176.5700 102 D 4.6898 7.3267 118.8666 53.0132 41.6893 175.2727 103 P 4.2031 0.0000 0.0000 65.9833 31.5802 177.6632 104 Q 4.1888 8.1969 113.4682 55.5816 30.2537 176.8565 105 G 3.7146 7.9297 109.1523 47.4498 0.0000 175.6356 106 I 3.7549 7.7543 119.1350 63.2511 38.0114 177.8629 107 R 4.3899 7.4298 117.2542 57.8637 29.9317 177.4669 108 A 4.0560 7.8223 121.5372 54.2451 18.6648 178.3566 109 W 4.7052 8.3122 117.1647 55.5406 30.1800 177.4417 110 V 3.6972 8.7020 124.1494 66.1359 30.9671 177.6930 111 A 3.9766 8.2296 120.0330 54.8340 18.2833 179.2838 112 W 3.9495 8.3584 126.5453 60.6516 30.6984 178.3792 113 R 3.7827 8.1025 117.1914 59.1025 29.5380 178.3703 114 N 4.3721 8.2088 115.7268 55.1716 38.8073 176.8007 115 R 3.9901 7.7808 117.2852 55.8173 31.6537 175.9532 116 C 4.4607 7.0829 114.1153 58.0467 42.2574 173.9256 117 Q 3.2301 6.3110 118.9304 57.5331 28.5173 176.9834 118 N 4.2861 8.6574 120.0631 53.6812 36.8903 174.1629 119 R 4.5141 7.3061 116.8050 53.9267 32.1987 175.5282 120 D 4.4626 8.5307 119.9268 54.7778 41.6728 176.3285 121 V 4.7485 8.3806 117.8664 61.1710 33.0660 177.5074 122 R 4.0992 8.5063 122.1779 59.1470 29.9568 178.8712 123 Q 4.0174 8.3122 115.7483 59.3363 28.4855 178.4380 124 Y 3.8865 8.1267 115.4141 60.0169 38.2931 177.0932 125 V 4.3894 7.7307 110.4283 60.8294 33.4441 175.6737 126 Q 4.2130 7.4425 120.0471 57.2830 28.7804 176.9528 127 G 3.9743 9.0152 110.7364 45.7028 0.0000 174.4483 128 C 4.4125 7.9605 115.6616 56.4648 41.0659 173.5118 129 G 3.8112 8.0893 107.0809 47.1385 0.0000 174.0881 130 V 4.0106 7.6852 115.9041 61.2345 32.2181 176.2607 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 A 8.26 4.30 1.30 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 0.00 0.00 -2 E 8.26 3.87 0.00 2.09 1.83 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 2.37 2.36 0.00 -1 A 8.97 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 -2 K 8.13 3.84 0.00 1.87 1.62 0.00 0.61 0.00 0.00 1.82 0.00 0.00 2.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.49 7.81 -1 V 8.76 4.10 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 3 F 9.00 4.30 0.00 3.02 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.72 4.39 0.00 2.02 1.89 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 2.41 2.32 0.00 5 R 8.73 3.28 0.00 2.06 2.00 0.00 3.41 0.00 0.00 3.48 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 6 C 8.11 4.32 0.00 3.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.07 3.84 0.00 2.13 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 0.00 2.48 2.67 0.00 8 L 7.83 3.18 0.00 1.10 1.25 -0.02 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.88 3.89 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 10 R 8.17 3.82 0.00 2.04 1.97 0.00 3.13 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 1.64 1.85 0.00 11 T 7.99 3.81 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 12 L 7.94 3.81 0.00 1.70 1.57 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.95 3.88 0.00 1.95 1.93 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 7.87 3.91 0.00 1.92 2.15 0.00 3.30 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 15 L 7.70 4.47 0.00 1.63 1.55 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.89 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 0.00 0.00 0.00 17 M 8.02 3.89 0.00 1.41 1.93 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.24 0.00 18 D 7.94 4.40 0.00 2.67 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 19 G 9.53 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 0.00 0.00 0.00 20 Y 8.00 4.12 0.00 3.44 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.71 3.64 0.00 1.84 1.87 0.00 2.98 0.00 0.00 2.44 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 22 G 8.34 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 0.00 0.00 0.00 23 I 7.58 4.08 1.73 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.76 -0.28 0.00 0.00 24 S 8.27 4.82 0.00 4.10 4.03 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 0.00 0.00 0.00 25 L 8.79 4.11 0.00 2.06 1.79 1.01 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.21 4.26 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 27 N 7.89 4.41 0.00 2.95 2.75 0.00 0.00 6.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 W 8.17 4.29 0.00 3.52 3.07 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 29 M 8.76 4.19 0.00 2.17 2.37 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.88 0.00 30 C 8.17 3.29 0.00 2.42 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 31 L 8.32 4.06 0.00 1.86 1.90 0.45 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.30 4.25 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 33 K 8.19 3.21 0.00 1.52 1.99 0.00 0.84 0.00 0.00 1.16 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 0.57 7.81 34 W 7.84 4.36 0.00 3.35 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.41 4.37 0.00 2.15 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 2.61 2.52 0.00 36 S 7.95 4.54 0.00 4.08 4.16 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 37 G 8.44 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 0.00 0.00 0.00 38 Y 7.85 3.72 0.00 3.24 3.09 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 39 N 7.64 5.48 0.00 2.84 2.85 0.00 0.00 7.00 7.10 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 40 T 8.54 4.09 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 41 R 8.10 4.54 0.00 1.90 2.02 0.00 3.36 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 42 A 7.89 4.31 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 43 T 8.26 5.52 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 1.24 0.00 0.00 44 N 8.27 4.92 0.00 2.82 2.75 0.00 0.00 6.72 7.48 0.00 0.00 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 Y 8.85 4.68 0.00 2.93 2.85 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 46 N 8.86 4.68 0.00 2.53 2.61 0.00 0.00 6.60 8.19 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 47 A 8.48 3.70 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 48 G 7.67 3.67 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 0.00 0.00 0.00 49 D 7.75 4.71 0.00 2.70 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 50 R 7.45 4.04 0.00 2.05 2.20 0.00 3.14 0.00 0.00 3.17 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.57 0.00 51 S 7.53 4.84 0.00 3.97 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 52 T 8.91 5.13 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 53 D 8.68 5.43 0.00 2.80 2.79 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 54 Y 9.14 5.09 0.00 2.93 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 55 G 8.94 4.41 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 0.00 56 I 8.11 4.03 1.70 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 1.13 2.14 -0.21 0.00 0.00 57 F 7.97 4.77 0.00 3.22 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 58 Q 7.96 3.60 0.00 2.56 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.79 0.00 0.00 0.00 0.00 0.00 2.56 2.73 0.00 59 I 8.47 4.43 2.16 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.22 1.17 0.00 0.00 60 N 9.11 5.27 0.00 3.06 3.07 0.00 0.00 6.97 7.63 0.00 0.00 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 9.00 5.12 0.00 4.10 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 0.00 62 R 8.81 3.91 0.00 1.52 1.62 0.00 2.86 0.00 0.00 2.86 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 63 Y 7.56 4.27 0.00 1.98 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 0.00 0.00 0.00 64 W 8.53 4.74 0.00 3.51 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 65 C 7.92 5.55 0.00 3.22 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 9.08 4.89 0.00 2.76 2.71 0.00 0.00 6.94 8.23 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 67 D 8.65 4.61 0.00 2.81 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.68 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 0.00 0.00 0.00 69 K 8.85 4.54 0.00 1.85 1.87 0.00 1.64 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.54 1.82 7.81 70 T 7.82 4.47 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 1.16 0.00 0.00 71 P 0.00 4.26 0.00 2.02 1.97 0.00 3.83 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 2.04 2.09 0.00 72 G 8.47 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 73 A 7.77 4.67 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 74 V 7.76 4.37 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 0.62 0.00 0.00 0.80 0.00 0.00 75 N 8.19 4.67 0.00 2.66 2.63 0.00 0.00 7.05 8.20 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 76 A 8.11 4.03 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 77 C 8.67 4.60 0.00 3.28 3.24 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 78 H 7.97 4.07 0.00 3.34 3.41 0.00 5.79 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.98 4.86 0.00 1.71 1.51 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.35 4.71 0.00 3.83 3.69 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 81 C 8.87 4.16 0.00 2.12 1.30 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 82 S 7.75 3.93 0.00 4.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.77 4.23 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.83 4.62 0.00 1.94 1.81 1.07 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.61 5.51 0.00 1.83 1.71 1.16 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.81 4.79 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.37 7.08 0.00 0.00 0.00 0.00 0.00 2.49 2.29 0.00 87 D 8.68 4.28 0.00 2.62 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.03 4.63 0.00 2.69 2.75 0.00 0.00 6.91 7.94 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 89 I 8.36 4.36 1.88 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.92 1.12 0.00 0.00 90 A 8.37 3.95 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 91 D 8.05 4.26 0.00 2.88 2.75 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 92 A 8.06 4.08 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 93 V 8.27 3.25 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 0.78 0.00 0.00 0.85 0.00 0.00 94 A 7.98 3.85 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 95 C 8.58 4.24 0.00 3.13 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 96 A 8.29 3.89 0.74 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 0.00 0.00 97 K 7.81 3.81 0.00 1.58 1.41 0.00 1.27 0.00 0.00 0.74 0.00 0.00 2.20 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.30 1.02 7.81 98 R 7.67 4.05 0.00 1.99 2.10 0.00 3.28 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.87 0.00 99 V 7.50 2.14 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 -0.14 0.00 0.00 -0.51 0.00 0.00 100 V 7.78 3.85 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 1.00 0.00 0.00 1.42 0.00 0.00 101 R 7.77 4.12 0.00 2.08 2.05 0.00 3.25 0.00 0.00 3.31 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 102 D 7.33 4.69 0.00 2.99 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.20 0.00 2.02 2.14 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 104 Q 8.20 4.19 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.85 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 105 G 7.93 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 0.00 0.00 0.00 106 I 7.75 3.75 1.01 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.85 -0.63 0.00 0.00 107 R 7.43 4.39 0.00 2.14 2.06 0.00 3.35 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.69 0.00 108 A 7.82 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.31 4.71 0.00 3.61 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 0.00 110 V 8.70 3.70 2.17 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 1.17 0.00 0.00 1.00 0.00 0.00 111 A 8.23 3.98 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 112 W 8.36 3.95 0.00 3.46 3.54 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 0.00 113 R 8.10 3.78 0.00 2.06 1.97 0.00 3.31 0.00 0.00 3.48 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 114 N 8.21 4.37 0.00 2.56 2.68 0.00 0.00 6.92 8.35 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 0.00 115 R 7.78 3.99 0.00 0.91 0.66 0.00 2.21 0.00 0.00 2.39 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.00 116 C 7.08 4.46 0.00 1.57 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 0.00 117 Q 6.31 3.23 0.00 0.93 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 5.92 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 118 N 8.66 4.29 0.00 2.80 2.89 0.00 0.00 7.01 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 0.00 119 R 7.31 4.51 0.00 1.87 1.81 0.00 2.97 0.00 0.00 3.06 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 120 D 8.53 4.46 0.00 2.66 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 0.00 121 V 8.38 4.75 2.27 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 0.90 0.00 0.00 1.03 0.00 0.00 122 R 8.51 4.10 0.00 2.04 2.20 0.00 3.17 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 123 Q 8.31 4.02 0.00 2.05 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.90 0.00 0.00 0.00 0.00 0.00 2.20 1.85 0.00 124 Y 8.13 3.89 0.00 3.26 3.19 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 0.00 125 V 7.73 4.39 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 1.01 0.00 0.00 1.06 0.00 0.00 126 Q 7.44 4.21 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.55 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 127 G 9.02 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 0.00 0.00 0.00 128 C 7.96 4.41 0.00 3.11 3.14 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 0.00 129 G 8.09 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 0.00 130 V 7.69 4.01 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 0.74 0.00 0.00 0.95 0.00 0.00