NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4533 8.3193 116.7960 58.5192 64.3241 172.5690 -1 N 4.9130 8.7398 122.3697 49.7313 40.6749 173.1194 0 A 3.9616 8.8778 118.9405 55.7265 19.1414 180.5400 1 M 3.9503 8.0062 116.2478 58.8851 32.4643 178.3723 2 S 4.2184 8.5706 114.4859 61.8167 63.1778 176.3727 3 M 4.0774 8.4052 122.3284 58.0511 31.6595 178.6399 4 A 4.0438 8.5691 121.3696 55.1400 18.4681 179.1280 5 Y 3.9112 8.5447 118.5222 60.7621 38.8681 177.6078 6 E 3.8811 8.3867 120.2610 59.4524 29.7692 178.4158 7 E 3.8718 8.1051 118.9962 59.2490 29.6324 178.1483 8 Y 3.9793 8.1031 119.7668 61.0560 38.9163 177.9984 9 M 3.6948 7.9494 119.9622 57.9857 31.7067 178.6112 10 R 3.7151 7.7813 118.3241 59.7664 30.3937 178.4432 11 Q 4.0522 8.0002 117.7849 58.5466 28.4132 178.5300 12 L 3.8868 7.2720 119.9654 57.9446 40.9360 178.7314 13 V 3.9920 7.3427 111.4373 61.5441 31.7456 177.8204 14 V 3.5723 7.3104 119.6299 65.8566 31.3333 175.9848 15 P 4.3191 0.0000 0.0000 65.9006 30.9908 178.2077 16 M 4.2187 7.8768 115.2497 57.2712 32.2763 178.4517 17 R 4.1500 7.9291 119.0145 59.1968 30.4654 179.0015 18 R 4.4626 8.3181 119.4138 58.5701 29.7306 178.6886 19 E 3.8797 8.0884 118.6688 58.6839 29.7213 178.2621 20 L 4.1082 7.5899 118.3901 57.0065 42.4384 178.9644 21 T 4.3101 7.5464 108.7142 64.1308 68.8694 175.8932 22 G 3.7897 8.3307 108.6357 45.7285 0.0000 173.5415 23 A 4.6208 8.4353 120.7184 51.2815 19.8598 177.6732 24 G 4.0548 8.1315 104.6108 44.9477 0.0000 174.6285 25 F 4.4810 8.3655 119.2831 57.1181 40.1791 174.1088 26 E 4.3573 9.3269 125.3709 55.8353 30.9260 174.9272 27 E 4.9137 8.6918 125.6485 55.3178 31.2246 175.8028 28 L 4.6637 8.8150 125.0496 53.5038 42.7227 176.4256 29 T 4.6051 9.3270 113.3879 61.1650 69.7774 175.5693 30 T 4.7279 7.3294 117.9989 60.7460 74.0264 174.0562 31 A 4.0975 8.6214 128.5284 56.3574 18.3988 180.9652 32 E 4.0244 8.2083 116.0851 61.4282 29.8020 180.8663 33 E 4.2131 8.0754 118.7040 59.0434 29.5561 179.4721 34 V 3.5922 7.8583 118.5083 65.9980 31.6365 177.6127 35 E 4.1257 8.2530 119.5785 58.8860 29.2117 178.7463 36 N 4.2469 8.1793 115.5271 57.1306 39.1942 176.1907 37 F 4.2206 8.2460 121.6308 61.6421 39.6704 177.0037 38 M 3.6205 8.8091 118.5711 58.1374 31.4256 178.5107 39 E 4.1082 8.3177 119.1663 57.9784 29.8944 177.2850 40 K 4.3236 7.2986 115.1640 55.5121 33.0616 176.2118 41 A 3.6785 6.8242 121.8528 52.1028 18.6233 177.0018 42 E 4.6740 7.8720 120.4449 55.3409 34.5690 177.6877 43 G 3.7900 8.4697 107.3762 46.7695 0.0000 172.7734 44 T 5.1941 8.8672 112.7317 60.4469 72.0971 174.1842 45 T 5.1012 8.8316 119.3013 61.9758 73.0661 172.4960 46 L 4.9428 9.0001 129.0168 53.9340 43.9631 175.0414 47 V 4.7995 9.0571 127.0304 61.2574 34.1596 174.2977 48 V 4.4284 8.7107 128.4312 61.0979 33.4890 175.0576 49 V 3.9894 8.8898 130.2617 62.6460 31.5619 174.9747 50 N 4.8437 9.0526 127.9084 53.3206 40.4943 173.3328 51 S 5.1630 7.7703 115.3627 57.8895 66.1237 175.0997 52 V 4.1683 8.5808 121.2069 61.8542 30.1578 174.8376 53 C 4.8577 7.9013 119.0620 55.9024 33.0777 174.6997 54 G 3.6732 8.4824 108.7013 48.0966 0.0000 175.6189 55 C 4.1026 8.0296 120.2055 62.2845 31.7239 175.2959 56 A 3.8940 7.9248 121.6902 55.1580 17.8399 179.3171 57 A 3.9971 8.0759 118.3071 54.7152 18.5437 179.2896 58 G 3.8935 7.9631 102.0478 45.4544 0.0000 173.4172 59 L 4.5403 7.8053 118.1017 55.7749 44.6095 178.4652 60 A 3.9097 7.9816 119.2034 55.4708 18.4185 179.8237 61 R 3.6539 7.9193 116.1624 58.8484 30.1628 177.6257 62 P 4.1700 0.0000 0.0000 65.3661 31.3276 178.3940 63 A 3.9373 8.2555 119.6900 55.2273 18.4384 179.4473 64 A 4.0474 8.0806 119.4588 55.6680 17.9228 179.9976 65 T 4.1796 7.9870 108.2699 64.8751 68.9302 177.1829 66 Q 3.9867 8.6462 121.0807 58.6565 28.8400 178.2551 67 A 4.0700 8.2600 122.0086 55.5166 18.2510 179.9544 68 V 3.6192 7.8776 114.9809 65.0415 31.6234 177.0661 69 L 4.5591 7.4451 116.3240 56.1044 41.5714 177.6833 70 Q 4.2793 8.2424 117.9661 55.9932 29.6223 175.2423 71 N 4.7234 7.4262 118.0864 52.2558 40.0331 174.0908 72 D 4.4276 8.8218 125.5709 57.2619 41.5510 176.3940 73 K 4.2831 7.8516 117.4941 55.8866 32.8337 176.4096 74 T 4.0203 7.8346 112.3048 58.6848 71.9256 171.7735 75 P 4.8092 0.0000 0.0000 62.1740 31.8650 176.6064 76 D 4.5227 8.5975 120.6849 56.8304 41.4529 176.5568 77 N 5.2077 8.8626 115.3234 51.3365 43.0513 173.8484 78 T 4.7664 8.1550 111.4313 59.8909 71.4903 172.9203 79 V 4.9373 8.9157 125.1956 61.5970 35.9097 173.6106 80 T 5.1183 8.7033 117.5421 60.7573 71.2486 172.6844 81 V 4.6728 8.4812 120.1240 59.6063 35.4634 174.8067 82 F 4.9401 8.8219 127.2091 56.2681 39.7348 174.3984 83 A 4.3173 9.1560 130.1035 53.5882 18.8533 177.9340 84 G 4.1383 9.1191 110.5499 45.3576 0.0000 174.3599 85 Q 4.2349 7.6776 116.6729 57.1470 29.7811 176.3296 86 D 4.8576 8.1262 120.7561 52.5749 40.3938 177.0331 87 K 4.1314 8.1606 123.2211 59.0607 32.4802 178.3706 88 E 3.9761 8.1575 117.3732 59.2641 29.5840 178.8356 89 A 4.0034 7.9982 121.5495 55.2115 18.5345 179.5560 90 T 3.9121 8.0463 108.0590 64.5700 68.7920 176.8565 91 A 3.9626 7.9505 122.9561 54.7671 18.8341 179.1687 92 K 3.9927 8.2514 118.2196 59.9103 32.2829 178.5129 93 M 4.0983 8.1753 118.4532 58.9431 32.2873 178.4247 94 R 3.3893 8.2957 117.9756 58.6803 29.8925 178.8233 95 E 3.9421 7.5932 117.5548 59.2708 29.4523 178.3965 96 Y 4.2366 7.9980 116.4683 59.3942 39.2176 175.7385 97 F 5.1732 7.5336 121.1702 55.4425 37.5625 174.3314 98 T 3.9319 8.0579 117.2841 65.2826 69.0176 174.3150 99 G 3.8692 8.8246 112.6695 46.1651 0.0000 172.6864 100 A 4.3493 7.5836 121.0912 49.8768 20.6454 177.5864 101 A 4.3982 7.9820 123.4328 50.5310 19.7937 176.0415 102 P 4.5550 0.0000 0.0000 62.7429 32.0267 176.1261 103 S 4.7250 8.4163 115.1743 57.8331 65.2250 174.4109 104 S 4.8756 8.2758 115.4991 56.4544 65.3999 172.2023 105 P 4.8574 0.0000 0.0000 63.0793 32.4473 175.1474 106 S 4.6410 8.4390 113.6755 57.7155 66.9512 172.7761 107 M 5.2997 8.5680 119.2454 53.5169 36.5235 174.2912 108 A 4.8917 8.7888 122.8962 50.0055 22.6388 174.6832 109 L 4.9501 8.9340 125.1753 53.9814 43.8354 175.2536 110 L 5.2904 9.4552 126.7601 52.8138 45.2092 175.2457 111 K 4.7235 8.7735 124.3810 54.2371 34.0617 175.9187 112 G 3.6347 8.9032 118.8860 47.1593 0.0000 173.7675 113 K 4.4470 8.8029 123.6452 55.9943 32.8978 175.3046 114 E 4.5055 8.1659 118.9595 54.9619 30.8628 175.7481 115 V 4.1304 8.4180 122.6093 61.7678 31.3817 175.7111 116 V 4.1091 8.5496 125.7997 63.9513 32.4341 175.1895 117 H 4.7706 7.7152 117.3066 55.4694 33.0743 172.1009 118 F 4.9710 8.3228 125.4598 56.5281 42.6716 173.5056 119 I 4.2216 7.9196 127.0513 58.7695 39.3843 174.0775 120 P 4.8017 0.0000 0.0000 61.2159 32.9214 177.0566 121 R 3.9659 8.3256 118.5221 59.6240 29.8818 177.7898 122 H 4.4533 8.0753 111.1877 57.1499 28.9057 175.7492 123 E 4.1076 7.7184 119.3684 57.9174 29.8409 177.5584 124 I 4.0119 7.3876 119.2069 63.1552 38.0598 175.3928 125 E 3.9490 8.5369 121.2286 57.5774 29.8346 177.0316 126 G 3.9107 9.3110 113.4206 45.6786 0.0000 171.9097 127 H 4.9755 7.6519 114.9496 53.4419 32.7803 172.0791 128 D 4.9005 8.2771 119.2307 52.3592 44.5492 176.2505 129 M 3.9156 8.3971 119.1017 58.8387 32.1445 177.1446 130 E 3.8640 8.3053 118.7506 59.6315 29.5702 178.7516 131 E 3.9096 8.0393 117.5394 59.5534 29.7772 179.1095 132 I 3.6233 7.6597 119.7799 64.6060 37.1614 178.3486 133 M 3.9813 8.6563 119.7829 58.3471 31.7593 178.8938 134 K 3.8619 7.8681 118.3026 59.3868 32.3551 178.6537 135 N 4.1593 8.1166 117.1286 56.8301 38.8597 176.5383 136 L 3.5418 8.1531 120.5989 58.0949 41.7459 179.8546 137 T 3.7135 8.2421 109.4887 64.4003 68.7016 176.4417 138 A 3.9188 8.0629 123.8964 54.8860 18.3759 179.3953 139 A 3.8531 7.4975 118.8449 55.1674 18.3581 179.8973 140 F 4.5338 7.6980 117.5051 60.5793 38.8567 177.3262 141 D 4.4562 8.4712 117.1050 57.7459 40.7111 178.9124 142 A 4.1023 7.9125 119.9027 54.6319 18.5112 178.3056 143 H 4.6798 8.5984 112.2509 57.7956 30.6077 174.1828 144 C 4.4251 8.3530 123.0360 59.4921 29.6811 173.1739 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 -2 S 8.32 4.45 0.00 3.88 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 -1 N 8.74 4.91 0.00 2.89 2.91 0.00 0.00 6.47 6.36 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 A 8.88 3.96 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 1 M 8.01 3.95 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.64 0.00 2 S 8.57 4.22 0.00 4.11 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 0.00 3 M 8.41 4.08 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.57 0.00 4 A 8.57 4.04 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 5 Y 8.54 3.91 0.00 3.12 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 6 E 8.39 3.88 0.00 2.25 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 2.30 2.34 0.00 7 E 8.11 3.87 0.00 2.16 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 0.00 2.31 2.37 0.00 8 Y 8.10 3.98 0.00 2.99 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 9 M 7.95 3.69 0.00 1.82 1.72 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 2.48 1.87 0.00 10 R 7.78 3.72 0.00 1.89 2.08 0.00 3.22 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 11 Q 8.00 4.05 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 12 L 7.27 3.89 0.00 1.51 1.36 0.82 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.34 3.99 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 0.60 0.00 0.00 0.76 0.00 0.00 14 V 7.31 3.57 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 1.00 0.00 0.00 0.96 0.00 0.00 15 P 0.00 4.32 0.00 2.19 2.08 0.00 3.75 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 2.08 2.16 0.00 16 M 7.88 4.22 0.00 2.01 2.46 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 17 R 7.93 4.15 0.00 2.12 2.01 0.00 3.17 0.00 0.00 3.56 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.07 0.00 18 R 8.32 4.46 0.00 1.91 1.98 0.00 3.30 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.64 0.00 19 E 8.09 3.88 0.00 1.92 1.90 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 2.20 2.28 0.00 20 L 7.59 4.11 0.00 1.67 1.29 0.56 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.55 4.31 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 1.26 0.00 0.00 22 G 8.33 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 A 8.44 4.62 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 24 G 8.13 4.05 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 0.00 0.00 0.00 25 F 8.37 4.48 0.00 3.02 2.99 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 26 E 9.33 4.36 0.00 1.95 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 2.20 2.25 0.00 27 E 8.69 4.91 0.00 1.90 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 0.00 2.29 2.35 0.00 28 L 8.82 4.66 0.00 1.44 1.59 0.69 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 29 T 9.33 4.61 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 1.23 0.00 0.00 30 T 7.33 4.73 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 1.27 0.00 0.00 31 A 8.62 4.10 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 32 E 8.21 4.02 0.00 1.99 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 2.32 1.97 0.00 33 E 8.08 4.21 0.00 2.19 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 2.42 2.39 0.00 34 V 7.86 3.59 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 1.14 0.00 0.00 1.03 0.00 0.00 35 E 8.25 4.13 0.00 2.14 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 2.50 2.57 0.00 36 N 8.18 4.25 0.00 2.93 2.94 0.00 0.00 7.28 7.86 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 37 F 8.25 4.22 0.00 3.19 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 38 M 8.81 3.62 0.00 1.07 1.33 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.80 0.00 39 E 8.32 4.11 0.00 2.19 1.96 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 2.35 2.41 0.00 40 K 7.30 4.32 0.00 1.67 1.72 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.42 7.81 41 A 6.82 3.68 0.63 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 0.00 0.00 42 E 7.87 4.67 0.00 1.85 1.76 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 2.14 2.36 0.00 43 G 8.47 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 44 T 8.87 5.19 4.29 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 1.23 0.00 0.00 45 T 8.83 5.10 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 1.41 0.00 0.00 46 L 9.00 4.94 0.00 1.88 1.55 1.06 0.94 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 47 V 9.06 4.80 2.31 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 1.08 0.00 0.00 1.12 0.00 0.00 48 V 8.71 4.43 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 0.69 0.00 0.00 0.96 0.00 0.00 49 V 8.89 3.99 2.35 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 0.92 0.00 0.00 1.19 0.00 0.00 50 N 9.05 4.84 0.00 2.46 1.80 0.00 0.00 6.53 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 51 S 7.77 5.16 0.00 3.98 3.85 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 52 V 8.58 4.17 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 0.90 0.00 0.00 1.06 0.00 0.00 53 C 7.90 4.86 0.00 3.15 2.99 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 54 G 8.48 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 55 C 8.03 4.10 0.00 3.00 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 56 A 7.92 3.89 1.26 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 0.00 0.00 57 A 8.08 4.00 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 58 G 7.96 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 59 L 7.81 4.54 0.00 1.90 1.57 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.98 3.91 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 61 R 7.92 3.65 0.00 1.83 1.83 0.00 2.94 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.67 0.00 62 P 0.00 4.17 0.00 2.13 2.07 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 63 A 8.26 3.94 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 64 A 8.08 4.05 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 65 T 7.99 4.18 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 1.27 0.00 0.00 66 Q 8.65 3.99 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 67 A 8.26 4.07 1.53 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 0.00 0.00 68 V 7.88 3.62 2.33 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 0.75 0.00 0.00 1.00 0.00 0.00 69 L 7.45 4.56 0.00 1.85 1.77 1.08 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.24 4.28 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.79 0.00 0.00 0.00 0.00 0.00 2.56 2.48 0.00 71 N 7.43 4.72 0.00 2.97 2.95 0.00 0.00 7.12 9.03 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 72 D 8.82 4.43 0.00 2.68 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 73 K 7.85 4.28 0.00 1.83 1.74 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.49 7.81 74 T 7.83 4.02 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 1.09 0.00 0.00 75 P 0.00 4.81 0.00 2.01 1.88 0.00 3.11 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 76 D 8.60 4.52 0.00 2.68 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 77 N 8.86 5.21 0.00 2.72 2.77 0.00 0.00 6.45 6.67 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 78 T 8.15 4.77 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 0.67 0.00 0.00 79 V 8.92 4.94 1.76 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 0.71 0.00 0.00 0.15 0.00 0.00 80 T 8.70 5.12 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 81 V 8.48 4.67 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 0.79 0.00 0.00 0.99 0.00 0.00 82 F 8.82 4.94 0.00 3.12 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 83 A 9.16 4.32 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 G 9.12 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 85 Q 7.68 4.23 0.00 1.53 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.06 0.00 0.00 0.00 0.00 0.00 1.61 1.16 0.00 86 D 8.13 4.86 0.00 2.71 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 87 K 8.16 4.13 0.00 1.81 1.87 0.00 1.68 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.50 7.81 88 E 8.16 3.98 0.00 2.20 2.22 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 2.38 2.47 0.00 89 A 8.00 4.00 1.44 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 90 T 8.05 3.91 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 1.36 0.00 0.00 91 A 7.95 3.96 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 92 K 8.25 3.99 0.00 1.98 2.09 0.00 1.66 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.73 1.69 7.81 93 M 8.18 4.10 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.66 0.00 94 R 8.30 3.39 0.00 2.00 1.94 0.00 3.22 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 95 E 7.59 3.94 0.00 1.89 1.77 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 2.26 2.53 0.00 96 Y 8.00 4.24 0.00 3.09 3.10 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 0.00 0.00 0.00 0.00 97 F 7.53 5.17 0.00 3.20 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 98 T 8.06 3.93 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 99 G 8.82 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 0.00 0.00 0.00 100 A 7.58 4.35 0.58 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 0.00 0.00 101 A 7.98 4.40 1.26 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 0.00 0.00 102 P 0.00 4.56 0.00 2.11 2.07 0.00 3.75 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 2.06 2.11 0.00 103 S 8.42 4.73 0.00 3.99 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 0.00 104 S 8.28 4.88 0.00 3.89 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 0.00 105 P 0.00 4.86 0.00 2.02 2.01 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.00 0.00 106 S 8.44 4.64 0.00 3.69 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 0.00 107 M 8.57 5.30 0.00 1.95 1.78 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 2.35 2.37 0.00 108 A 8.79 4.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.93 4.95 0.00 1.80 1.59 1.11 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.46 5.29 0.00 1.65 1.75 1.12 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 111 K 8.77 4.72 0.00 1.81 1.67 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.35 1.53 7.81 112 G 8.90 3.63 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 0.00 0.00 0.00 113 K 8.80 4.45 0.00 1.87 1.99 0.00 1.69 0.00 0.00 1.80 0.00 0.00 3.36 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.36 1.52 7.81 114 E 8.17 4.51 0.00 2.22 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 0.00 2.51 2.26 0.00 115 V 8.42 4.13 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 0.74 0.00 0.00 0.88 0.00 0.00 116 V 8.55 4.11 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 0.31 0.00 0.00 0.91 0.00 0.00 117 H 7.72 4.77 0.00 3.24 3.05 0.00 5.86 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.32 4.97 0.00 2.82 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 0.00 119 I 7.92 4.22 1.55 0.00 0.00 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 1.13 0.46 0.72 0.00 0.00 120 P 0.00 4.80 0.00 2.25 2.55 0.00 3.56 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.01 0.00 121 R 8.33 3.97 0.00 1.92 2.01 0.00 3.12 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 122 H 8.08 4.45 0.00 3.32 3.45 0.00 5.57 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 7.72 4.11 0.00 1.94 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 0.00 2.04 2.26 0.00 124 I 7.39 4.01 1.93 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.87 0.87 0.00 0.00 125 E 8.54 3.95 0.00 1.90 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 2.34 2.27 0.00 126 G 9.31 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 0.00 127 H 7.65 4.98 0.00 3.17 3.28 0.00 5.82 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.28 4.90 0.00 2.73 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 0.00 129 M 8.40 3.92 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.66 0.00 130 E 8.31 3.86 0.00 2.06 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 2.38 2.43 0.00 131 E 8.04 3.91 0.00 2.22 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 2.41 2.41 0.00 132 I 7.66 3.62 1.82 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 1.45 0.60 0.83 0.00 0.00 133 M 8.66 3.98 0.00 1.96 2.25 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.84 0.00 134 K 7.87 3.86 0.00 1.97 1.82 0.00 1.66 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.64 7.81 135 N 8.12 4.16 0.00 2.77 2.95 0.00 0.00 7.27 6.28 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 0.00 136 L 8.15 3.54 0.00 1.68 1.18 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 137 T 8.24 3.71 4.42 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 1.27 0.00 0.00 138 A 8.06 3.92 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 0.00 139 A 7.50 3.85 1.16 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 0.00 0.00 140 F 7.70 4.53 0.00 3.24 3.22 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 0.00 141 D 8.47 4.46 0.00 2.75 2.77 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 0.00 142 A 7.91 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 143 H 8.60 4.68 0.00 3.15 3.37 0.00 5.84 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 C 8.35 4.43 0.00 3.05 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