NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3900 8.3193 115.2890 57.8300 62.8579 173.9373 2 P 4.4404 0.0000 0.0000 60.9976 33.5938 174.1671 3 E 3.9854 9.6223 117.2372 59.9450 30.5484 180.4863 4 I 3.6760 7.8849 118.6784 64.2129 37.1209 176.5270 5 M 4.2713 8.1121 117.0109 54.9880 32.4795 175.9539 6 K 4.4574 7.8564 119.4283 54.5648 32.7400 175.1029 7 N 5.0814 8.3651 121.3941 50.3206 39.8412 175.8477 8 L 4.3943 8.2088 121.0197 55.1158 43.6454 176.0607 9 S 4.1039 9.2673 111.9993 61.6022 61.0639 175.6868 10 N 4.8972 5.8172 116.5520 54.2445 41.6166 176.2949 11 N 3.7040 7.9610 115.5307 55.9209 39.1411 174.1082 12 F 4.7280 8.0538 116.7458 59.4577 41.2861 176.9893 13 G 3.8813 8.2518 104.6378 47.8852 0.0000 175.1024 14 K 3.8537 8.8422 121.9904 59.3042 32.3256 178.6803 15 A 3.9684 7.8954 120.5270 55.3756 18.2692 179.1238 16 M 3.7277 9.1521 116.5674 58.7909 30.7814 178.0307 17 D 4.2737 7.9324 118.2089 57.3446 41.2960 178.2393 18 Q 4.1913 9.0811 119.7460 59.1096 28.7431 177.9039 19 C 4.3774 8.8818 120.0305 59.1861 41.4045 175.5676 20 K 4.6903 8.0926 121.1781 57.9561 31.6999 176.2635 21 D 4.7049 7.3879 115.4163 55.9160 42.4388 177.1258 22 E 3.9211 9.0539 117.3519 59.1638 29.7563 178.9130 23 L 4.3157 8.2039 117.4423 53.7919 42.4909 177.2573 24 S 4.5951 8.1692 112.4406 57.8113 61.3422 172.2654 25 L 4.3748 7.3631 120.8137 53.7562 41.6205 174.0793 26 P 4.5787 0.0000 0.0000 62.3647 31.7831 176.7403 27 D 4.5706 8.6766 123.0464 54.5412 39.1923 178.0898 28 S 4.1108 7.7293 116.7225 61.6217 63.3170 176.5812 29 V 3.2672 7.3510 115.0112 63.8214 31.6803 178.5902 30 V 4.0171 7.7540 118.2853 64.4826 31.2290 177.9171 31 A 4.1863 7.7960 120.4056 54.1401 18.1847 178.7906 32 D 3.8710 7.6196 117.1518 56.7442 40.8308 177.9533 33 L 4.7074 8.0114 118.8452 58.5902 41.8029 178.8840 34 Y 4.1832 7.8862 114.8569 61.0619 37.8355 176.5918 35 N 3.9769 8.7905 119.3952 52.5704 38.8799 175.1396 36 F 6.0736 7.2337 129.7377 57.9110 41.2417 174.0059 37 W 5.0287 8.4649 117.2106 57.1562 28.6252 177.9232 38 K 3.7180 8.6345 120.4121 60.9773 31.6511 176.9681 39 D 4.0874 8.1026 116.8363 55.6449 40.8975 175.8999 40 D 3.9150 7.9341 119.6664 53.1373 39.5811 175.0733 41 Y 4.4032 6.5051 123.8735 55.7812 39.5334 176.5558 42 V 3.7324 8.4606 112.6027 65.3249 31.6422 178.5423 43 M 4.1410 8.0654 118.1606 58.1519 32.0800 176.7004 44 T 4.3383 8.6217 113.1048 64.4348 70.4353 174.5042 45 D 4.7194 7.5466 126.3308 51.3115 42.6249 175.7582 46 R 3.9949 8.5992 125.0362 59.0245 29.1908 178.2472 47 L 3.9635 8.1678 119.1083 58.0150 41.6210 179.1568 48 A 4.3100 8.1224 120.2815 55.1962 18.2553 179.7679 49 G 3.6913 8.6929 104.3845 47.5159 0.0000 175.6290 50 C 4.3221 8.0324 118.0824 59.6618 40.2844 175.5764 51 A 3.9276 9.2105 121.2668 55.3235 18.2968 179.1314 52 I 3.8377 7.6584 116.5866 64.3334 38.1343 177.7777 53 N 4.1566 8.0009 117.1811 56.4092 38.3457 174.9715 54 C 4.3815 8.5527 115.6118 57.7944 41.5221 175.3306 55 L 3.5676 7.5766 122.6243 58.3091 41.6755 178.3675 56 A 4.1672 8.2485 118.0840 54.8634 18.3675 180.2463 57 T 3.4577 7.8260 112.6277 63.6349 68.8320 173.3037 58 K 4.4166 7.7276 128.5223 54.3547 32.2449 176.4509 59 L 4.1364 8.3036 127.4647 57.0255 42.0159 179.2791 60 D 4.6677 8.0881 117.6085 56.8748 41.4687 177.3788 61 V 3.9551 7.5787 111.1707 63.5277 32.3616 177.5644 62 V 3.7793 7.8053 119.0099 65.0077 31.4326 175.4698 63 D 4.6196 9.1259 120.0502 50.6998 40.6565 173.3658 64 P 4.4278 0.0000 0.0000 65.0820 31.6738 176.8204 65 D 4.6556 8.1459 114.5741 53.3431 41.9148 175.7262 66 G 3.9816 7.9358 105.1245 46.0465 0.0000 174.2217 67 N 3.7914 7.9625 118.7505 55.9413 39.2562 173.5210 68 L 4.3859 7.0422 114.2237 56.2137 42.9405 172.5539 69 H 4.6377 8.0062 116.1338 54.6768 31.9797 172.5714 70 H 3.9910 8.9118 123.9730 57.7573 30.3103 173.6161 71 G 4.4372 9.0684 117.6316 45.4207 0.0000 173.4391 72 N 4.8199 7.9671 119.2856 50.4371 38.7170 171.6747 73 A 4.2326 8.0619 123.7390 51.0779 19.3882 177.8722 74 K 4.1948 8.5724 123.8742 56.3024 32.8965 176.8333 75 D 4.6477 8.5242 119.0691 55.4632 41.0116 177.4812 76 F 4.0715 8.2173 122.9364 60.5889 39.8143 177.4414 77 A 4.1744 8.1683 122.0025 55.5982 18.4392 179.5642 78 M 4.5112 7.7652 111.9212 54.7956 31.2661 176.5205 79 K 4.6663 7.9714 119.9054 59.3815 39.0218 176.7571 80 H 4.4638 8.8486 112.3269 57.1679 28.5511 176.3886 81 G 4.0711 7.5701 108.4643 44.1993 0.0000 173.0722 82 A 4.8095 7.8666 120.7786 49.8025 22.5540 176.2692 83 D 4.6547 8.4665 120.5476 53.5321 41.7312 177.5512 84 E 3.8864 8.9537 122.8153 60.1442 29.2597 179.9724 85 T 3.7291 7.7693 112.3094 65.2631 67.6691 175.9862 86 M 3.5592 8.1189 119.7566 58.3432 31.8089 177.6685 87 A 3.8600 7.1842 120.0919 55.4430 18.7890 179.1051 88 Q 4.0765 7.8282 114.8501 58.5887 28.5271 177.9576 89 Q 4.2020 8.5928 121.0085 58.7243 28.7276 179.4058 90 L 4.3200 7.7967 119.2592 58.2068 41.5578 179.8802 91 V 3.3563 7.5431 116.3412 65.9204 31.2521 177.0066 92 D 4.4503 9.4871 119.8957 56.8092 40.6216 178.3632 93 I 3.7067 7.4453 112.5425 64.4785 37.9248 178.2117 94 I 3.5143 8.5225 122.5413 64.3328 36.3539 178.0005 95 H 4.4207 8.2304 116.8700 58.2006 28.3277 177.5223 96 G 3.4451 7.8656 105.8867 46.7182 0.0000 175.9134 97 C 4.4678 8.7897 119.4545 59.2808 39.7087 175.2465 98 E 3.4332 8.5457 121.4135 59.6235 28.8955 179.4511 99 K 4.0414 7.5082 117.5721 59.2308 32.8944 178.2688 100 S 4.6105 8.6989 112.5026 57.4846 63.8245 174.0146 101 A 4.5867 6.9786 123.4558 50.0509 18.1712 173.8989 102 P 4.6168 0.0000 0.0000 60.9571 32.9734 175.7454 103 P 4.5775 0.0000 0.0000 62.3858 31.0266 176.3700 104 N 4.4641 7.9355 116.6643 54.5749 39.7665 174.8070 105 D 4.4107 8.7173 123.2512 57.4977 41.1308 176.5905 106 D 4.7620 8.2029 118.0126 54.1051 41.6908 177.9295 107 K 3.4705 8.0828 120.3815 59.7323 32.6556 177.5382 108 C 4.0813 8.4391 118.4796 59.5039 43.3095 173.8622 109 M 4.1235 8.6764 116.3656 55.4339 32.0093 176.3707 110 K 4.1227 6.9249 119.0419 58.2535 32.1837 177.6666 111 T 3.8654 7.7241 114.6675 67.0161 69.0029 175.7641 112 I 3.7324 7.9673 119.6812 64.5146 37.7679 176.7270 113 D 4.3016 8.2496 118.8756 57.6068 40.8973 179.0121 114 V 3.5658 8.2178 118.3751 65.9172 31.5395 177.7673 115 A 4.1037 8.0839 118.6757 54.8675 18.2669 178.2587 116 M 4.2310 8.6201 115.0088 56.7394 32.1506 177.3491 117 C 3.8426 7.7951 119.0803 59.8642 43.9327 175.3431 118 F 4.3289 8.2424 121.8245 61.0773 38.8997 176.8444 119 K 3.3745 7.7917 118.9019 59.2313 31.7254 178.6734 120 K 4.1270 7.7155 118.8391 59.3167 31.8303 179.0000 121 E 4.0026 8.3807 119.1903 59.2536 29.2041 179.4188 122 I 3.7090 7.5280 120.0631 64.2155 37.1087 177.4566 123 H 3.3837 7.5833 118.5085 58.0524 29.5201 175.3193 124 K 4.3091 6.9370 118.4448 55.7457 34.5733 177.6818 125 L 3.5692 8.2304 116.8176 60.0726 38.8515 177.6535 126 N 4.6894 9.0852 113.9306 52.7617 40.6878 174.9051 127 W 4.8600 7.3061 114.5160 54.3735 30.0180 176.1609 128 V 4.1997 8.1633 121.5113 59.0508 31.2238 174.3242 129 P 4.7269 0.0000 0.0000 62.3876 30.7779 177.4303 130 N 4.2528 8.1413 117.0831 56.7791 37.3687 174.6092 131 M 4.6254 7.8752 116.8846 53.1586 33.9335 173.6338 132 D 4.8252 8.4170 122.9563 50.4638 41.8195 175.4999 133 L 3.8356 8.6634 123.6782 56.6101 40.3698 175.9015 134 V 4.1756 8.6131 121.5616 63.9143 33.0472 176.2642 135 I 4.2038 7.8291 109.5839 60.2155 38.7456 175.6656 136 G 3.7171 8.3027 108.5834 46.4337 0.0000 172.6320 137 E 4.4451 7.8056 119.3241 53.4527 31.8932 174.9182 138 V 3.8743 8.1946 113.8631 62.4724 30.5881 174.7025 139 L 4.2314 7.9881 132.6817 55.2253 45.8210 174.1564 140 A 4.6651 7.2689 120.1096 50.0404 20.9454 177.3900 141 E 4.2285 8.3337 120.7547 55.7590 27.6283 177.2969 142 V 3.8124 7.9658 116.2322 61.2069 31.5494 176.3085 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 S 8.32 4.39 0.00 3.84 3.87 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 2 P 0.00 4.44 0.00 2.27 2.17 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 3 E 9.62 3.99 0.00 2.16 2.29 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 2.57 2.47 0.00 4 I 7.88 3.68 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.67 0.86 0.00 0.00 5 M 8.11 4.27 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 6 K 7.86 4.46 0.00 1.90 1.77 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.34 7.81 7 N 8.37 5.08 0.00 2.88 2.80 0.00 0.00 6.43 7.81 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 8 L 8.21 4.39 0.00 1.79 1.79 1.04 0.64 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 9 S 9.27 4.10 0.00 3.87 3.57 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 0.00 0.00 0.00 0.00 10 N 5.82 4.90 0.00 2.81 2.78 0.00 0.00 6.92 7.07 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 11 N 7.96 3.70 0.00 2.72 2.95 0.00 0.00 6.95 7.28 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 12 F 8.05 4.73 0.00 3.06 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 13 G 8.25 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 14 K 8.84 3.85 0.00 1.75 1.88 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.44 7.81 15 A 7.90 3.97 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 16 M 9.15 3.73 0.00 1.89 1.69 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 17 D 7.93 4.27 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 18 Q 9.08 4.19 0.00 2.11 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 19 C 8.88 4.38 0.00 2.98 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 20 K 8.09 4.69 0.00 1.99 1.75 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.42 7.81 21 D 7.39 4.70 0.00 3.06 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 22 E 9.05 3.92 0.00 2.13 2.21 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 2.50 2.29 0.00 23 L 8.20 4.32 0.00 1.82 1.73 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.17 4.60 0.00 3.98 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 25 L 7.36 4.37 0.00 1.78 1.93 0.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.58 0.00 2.21 2.22 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.95 0.00 27 D 8.68 4.57 0.00 2.78 2.88 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 28 S 7.73 4.11 0.00 3.96 4.08 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 29 V 7.35 3.27 2.29 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 0.75 0.00 0.00 1.09 0.00 0.00 30 V 7.75 4.02 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 0.80 0.00 0.00 0.92 0.00 0.00 31 A 7.80 4.19 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.62 3.87 0.00 1.94 1.54 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 33 L 8.01 4.71 0.00 2.37 2.10 1.17 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.89 4.18 0.00 3.08 3.01 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 35 N 8.79 3.98 0.00 2.62 2.41 0.00 0.00 6.94 6.86 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 36 F 7.23 6.07 0.00 3.52 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 37 W 8.46 5.03 0.00 3.71 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 38 K 8.63 3.72 0.00 1.90 2.05 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.40 7.81 39 D 8.10 4.09 0.00 2.51 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 40 D 7.93 3.92 0.00 2.52 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 0.00 0.00 0.00 41 Y 6.51 4.40 0.00 2.96 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 42 V 8.46 3.73 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 0.93 0.00 0.00 0.95 0.00 0.00 43 M 8.07 4.14 0.00 1.99 2.25 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 2.66 2.73 0.00 44 T 8.62 4.34 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 45 D 7.55 4.72 0.00 3.24 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 46 R 8.60 3.99 0.00 2.14 2.21 0.00 3.12 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 47 L 8.17 3.96 0.00 1.90 1.83 0.95 1.05 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 48 A 8.12 4.31 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 0.00 0.00 0.00 0.00 0.00 49 G 8.69 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 0.00 0.00 0.00 50 C 8.03 4.32 0.00 3.11 3.15 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 51 A 9.21 3.93 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 52 I 7.66 3.84 2.25 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 1.11 0.00 0.00 53 N 8.00 4.16 0.00 3.12 2.82 0.00 0.00 6.73 8.69 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 54 C 8.55 4.38 0.00 3.09 3.48 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 0.00 0.00 0.00 0.00 55 L 7.58 3.57 0.00 1.83 1.98 0.74 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.25 4.17 1.33 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 0.00 0.00 57 T 7.83 3.46 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 1.24 0.00 0.00 58 K 7.73 4.42 0.00 1.84 1.67 0.00 1.66 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.64 7.81 59 L 8.30 4.14 0.00 1.72 1.98 0.97 1.00 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 60 D 8.09 4.67 0.00 2.61 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.58 3.96 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 0.70 0.00 0.00 0.97 0.00 0.00 62 V 7.81 3.78 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 1.04 0.00 0.00 63 D 9.13 4.62 0.00 2.72 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 64 P 0.00 4.43 0.00 2.17 2.19 0.00 3.63 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 65 D 8.15 4.66 0.00 2.53 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 66 G 7.94 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 67 N 7.96 3.79 0.00 2.46 2.77 0.00 0.00 7.09 7.79 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 68 L 7.04 4.39 0.00 1.85 1.64 0.91 0.65 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 69 H 8.01 4.64 0.00 3.55 3.23 0.00 5.66 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 70 H 8.91 3.99 0.00 3.15 3.28 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 9.07 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 0.00 0.00 0.00 0.00 72 N 7.97 4.82 0.00 2.69 2.68 0.00 0.00 7.15 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 73 A 8.06 4.23 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 74 K 8.57 4.19 0.00 1.87 1.82 0.00 1.78 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.52 7.81 75 D 8.52 4.65 0.00 2.72 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 76 F 8.22 4.07 0.00 2.99 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 77 A 8.17 4.17 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 78 M 7.77 4.51 0.00 2.03 2.05 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 2.71 2.54 0.00 79 K 7.97 4.67 0.00 1.82 1.83 0.00 1.55 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.41 7.81 80 H 8.85 4.46 0.00 3.24 3.24 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.57 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 0.00 0.00 0.00 82 A 7.87 4.81 1.22 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 83 D 8.47 4.65 0.00 2.80 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 84 E 8.95 3.89 0.00 1.98 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 2.39 2.38 0.00 85 T 7.77 3.73 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 1.25 0.00 0.00 86 M 8.12 3.56 0.00 2.32 2.09 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 87 A 7.18 3.86 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 88 Q 7.83 4.08 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.64 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 89 Q 8.59 4.20 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 90 L 7.80 4.32 0.00 1.67 1.48 0.93 -0.78 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 91 V 7.54 3.36 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 0.73 0.00 0.00 0.85 0.00 0.00 92 D 9.49 4.45 0.00 2.82 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 93 I 7.45 3.71 1.85 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 1.64 1.10 0.94 0.00 0.00 94 I 8.52 3.51 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.55 0.90 0.00 0.00 95 H 8.23 4.42 0.00 3.43 3.33 0.00 5.62 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 96 G 7.87 3.45 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 0.00 97 C 8.79 4.47 0.00 3.08 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 98 E 8.55 3.43 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 2.31 2.49 0.00 99 K 7.51 4.04 0.00 1.82 2.04 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.45 7.81 100 S 8.70 4.61 0.00 4.06 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 0.00 101 A 6.98 4.59 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 0.00 102 P 0.00 4.62 0.00 2.19 2.08 0.00 3.77 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 1.98 1.94 0.00 103 P 0.00 4.58 0.00 2.20 2.18 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 104 N 7.94 4.46 0.00 2.75 2.73 0.00 0.00 7.05 8.49 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 0.00 105 D 8.72 4.41 0.00 2.71 2.74 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 0.00 106 D 8.20 4.76 0.00 2.68 2.61 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 0.00 107 K 8.08 3.47 0.00 2.00 2.24 0.00 1.40 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.44 7.81 108 C 8.44 4.08 0.00 2.96 3.18 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 0.00 109 M 8.68 4.12 0.00 1.93 2.05 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 2.54 2.46 0.00 110 K 6.92 4.12 0.00 1.97 1.67 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.66 1.58 7.81 111 T 7.72 3.87 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 1.25 0.00 0.00 112 I 7.97 3.73 2.19 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 1.77 1.59 0.96 0.00 0.00 113 D 8.25 4.30 0.00 2.99 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 0.00 114 V 8.22 3.57 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 0.94 0.00 0.00 0.96 0.00 0.00 115 A 8.08 4.10 1.33 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 0.00 0.00 116 M 8.62 4.23 0.00 2.20 2.23 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 2.35 2.57 0.00 117 C 7.80 3.84 0.00 3.19 3.23 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 0.00 118 F 8.24 4.33 0.00 3.02 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 0.00 119 K 7.79 3.37 0.00 1.88 1.79 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.35 7.81 120 K 7.72 4.13 0.00 1.76 1.71 0.00 0.76 0.00 0.00 0.61 0.00 0.00 2.63 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 1.14 7.81 121 E 8.38 4.00 0.00 2.31 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 0.00 2.51 2.75 0.00 122 I 7.53 3.71 1.78 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.83 0.80 0.00 0.00 123 H 7.58 3.38 0.00 3.14 3.56 0.00 5.73 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 0.00 124 K 6.94 4.31 0.00 1.86 1.66 0.00 1.65 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.26 7.81 125 L 8.23 3.57 0.00 1.48 1.28 -0.71 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 126 N 9.09 4.69 0.00 2.93 2.99 0.00 0.00 6.77 7.72 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 0.00 127 W 7.31 4.86 0.00 3.51 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 0.00 128 V 8.16 4.20 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 0.92 0.00 0.00 0.88 0.00 0.00 129 P 0.00 4.73 0.00 2.33 2.33 0.00 3.88 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.48 0.00 130 N 8.14 4.25 0.00 2.86 3.08 0.00 0.00 6.11 7.69 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 0.00 131 M 7.88 4.63 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 132 D 8.42 4.83 0.00 2.75 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 0.00 133 L 8.66 3.84 0.00 1.77 1.79 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 134 V 8.61 4.18 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 0.98 0.00 0.00 1.03 0.00 0.00 135 I 7.83 4.20 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 1.35 1.08 0.92 0.00 0.00 136 G 8.30 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 0.00 137 E 7.81 4.45 0.00 2.00 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 2.29 2.30 0.00 138 V 8.19 3.87 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 0.68 0.00 0.00 0.94 0.00 0.00 139 L 7.99 4.23 0.00 1.55 1.61 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 140 A 7.27 4.67 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 0.00 141 E 8.33 4.23 0.00 1.95 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 0.00 2.29 2.33 0.00 142 V 7.97 3.81 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 0.76 0.00 0.00 0.93 0.00 0.00