NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0900 8.0632 120.4314 55.5015 34.0502 174.0413 2 I 3.9530 8.7185 127.7688 60.7505 37.9421 175.3170 3 R 4.0839 8.7995 128.0641 58.7725 31.2682 176.2259 4 F 5.3682 7.0347 111.1192 55.6724 41.8137 172.4663 5 I 4.6900 8.4754 118.4965 59.7287 40.5990 175.1091 6 L 4.5496 8.5967 126.8248 53.2247 45.1976 176.0708 7 I 5.2502 8.2444 120.5378 58.7676 38.4878 174.1408 8 Q 5.3243 8.3995 123.8372 53.5360 32.5232 175.2574 9 N 5.6840 8.1847 117.3967 50.8997 39.8624 175.7586 10 R 4.0597 8.7925 116.6381 59.1789 30.0696 177.6779 11 A 4.2972 8.2352 118.0512 52.0333 19.2530 177.7010 12 G 3.5946 8.8444 104.3699 45.3542 0.0000 174.0265 13 K 4.1154 8.3926 120.2134 55.5673 31.6234 176.9931 14 T 4.0435 8.3102 121.3126 64.2174 68.8097 174.5775 15 R 4.7127 8.2674 120.4016 55.5680 33.3857 174.9202 16 L 4.3108 7.5938 120.0095 54.0173 45.6036 174.3180 17 A 4.4084 7.8453 126.3013 51.0371 20.1769 173.3313 18 K 4.0429 7.7364 120.9979 55.1455 33.3951 175.3456 19 W 4.9037 8.5786 127.5552 55.6037 30.7544 175.8345 20 Y 5.1661 8.8324 119.6583 57.5776 39.0000 175.2491 21 M 4.6648 8.0885 114.6662 53.7421 33.8203 174.3672 22 Q 3.9503 8.3974 119.9721 56.2597 28.8745 175.8739 23 F 5.1515 8.0915 121.2707 55.0271 42.4296 175.5460 24 D 4.6171 9.0198 124.0706 53.8956 42.7366 177.8573 25 D 4.2121 8.3554 120.1721 57.7847 40.3656 178.8709 26 D 4.3772 7.9968 118.6702 56.9341 40.7332 178.7188 27 E 3.8043 7.7910 118.9466 59.2708 29.6422 178.7106 28 K 2.9908 7.9308 119.8814 59.5152 31.8940 177.8859 29 Q 4.0411 7.9792 120.2051 58.2842 28.9711 177.3157 30 K 3.7633 7.8469 119.5558 59.7091 32.2519 178.4791 31 L 3.9931 8.2384 120.6361 58.4375 41.8034 179.2013 32 I 3.7683 7.4883 119.6831 64.2435 36.9877 178.1090 33 E 3.9899 8.3208 119.5174 59.4876 29.1734 179.3605 34 E 4.0054 8.5118 118.6087 59.6335 29.6505 179.5452 35 V 3.1960 7.8831 118.0100 65.9169 31.3017 177.5092 36 H 4.0402 7.8996 117.9013 59.0744 29.7184 176.8702 37 A 3.9757 8.0979 121.7089 54.2244 18.0413 178.5530 38 V 3.9576 7.1966 115.7783 64.8322 32.2905 177.9236 39 V 2.8188 7.0223 117.0742 65.2302 31.0114 177.7005 40 T 3.3798 7.2792 112.7580 64.0117 67.3284 175.4536 41 V 3.8798 6.9003 118.8056 62.3484 32.0518 176.1785 42 R 4.3575 7.1992 120.8866 55.4075 31.0565 176.5727 43 D 4.9156 8.5011 122.6593 52.8566 39.8698 178.6814 44 A 3.5087 8.3552 125.3143 54.6083 18.2187 179.5698 45 K 4.0353 8.9474 116.6636 59.1625 32.4784 176.7006 46 H 4.5665 7.9353 114.8181 55.1786 30.4657 173.5828 47 T 4.4721 8.0686 113.2678 60.7479 69.4989 173.9061 48 N 4.2183 7.6341 119.0316 53.2670 39.1208 174.4822 49 F 5.5233 7.6161 116.8722 56.0712 43.0414 174.8943 50 V 4.6883 8.7709 114.5572 59.3678 36.0502 174.7364 51 E 4.3644 9.0416 123.9921 57.1593 30.3997 177.0710 52 F 4.7381 9.4352 126.0075 57.7382 42.0161 174.3660 53 R 3.2866 7.9402 131.4927 57.5282 29.0151 178.3840 54 N 4.3623 8.2352 121.5828 54.8738 38.3139 174.8558 55 F 5.3202 7.3874 119.7438 56.3685 42.4305 174.5501 56 K 5.3359 8.9768 117.6702 56.5469 36.9486 175.3730 57 I 4.8667 8.9298 122.4492 59.6296 39.4059 175.2430 58 I 4.8758 8.4040 128.8149 61.5410 38.2995 174.8409 59 Y 5.8832 8.0542 122.0943 57.1636 41.1504 173.8502 60 R 4.5850 8.6718 120.7358 54.7785 33.9957 173.8862 61 R 4.9894 8.7012 125.5135 56.4214 31.8581 175.7985 62 Y 4.3843 9.3692 122.5408 57.4740 41.7469 174.9544 63 A 3.5191 8.2995 130.7060 53.7795 17.3196 178.0618 64 G 3.8436 8.6658 107.8318 47.8414 0.0000 171.7826 65 L 5.0996 7.9374 121.3198 53.0097 44.1907 175.1928 66 Y 4.9823 9.0120 123.0938 57.5813 39.6595 174.7383 67 F 4.7805 9.7760 124.0060 56.4640 40.4822 174.4428 68 C 5.1904 8.6799 122.1828 58.2751 30.8628 173.2871 69 I 4.6850 8.6460 122.8920 59.6080 40.4620 173.8873 70 C 4.6430 8.2490 128.4501 58.3434 32.7503 172.8488 71 V 4.7894 8.7051 118.5807 59.1701 36.1188 174.6677 72 D 4.9049 8.4394 121.7183 54.6860 41.1004 177.5118 73 V 3.7728 8.6932 121.5425 66.0641 31.8095 177.0488 74 N 4.9254 8.1044 115.0435 53.2035 37.2224 174.2005 75 D 4.8108 7.5218 117.6500 53.5693 42.6940 177.1810 76 N 4.4596 8.5224 120.0099 53.3628 38.8213 175.2349 77 N 4.2763 8.5324 126.2023 56.5139 38.2739 177.1697 78 L 4.1576 7.9878 119.3602 57.4009 41.6824 179.2227 79 A 3.9587 8.1386 120.7481 55.5991 18.4540 179.4132 80 Y 4.2031 7.9572 114.7179 60.6382 37.9698 178.0909 81 L 4.2444 8.2895 121.4939 57.3965 42.1243 178.0740 82 E 4.4496 8.0395 117.2447 57.8604 29.9753 177.6885 83 A 4.0698 8.2965 121.2344 55.4861 18.3157 179.3682 84 I 3.8306 8.0726 117.3452 65.0672 37.3174 178.0509 85 H 4.6499 8.2349 118.7119 58.9155 30.0392 177.0767 86 N 4.4958 8.7554 118.6831 55.1193 37.1083 176.8842 87 F 4.2766 8.5552 124.0841 61.4440 39.5143 177.1070 88 V 3.1642 7.3594 117.9867 65.9009 31.0616 177.8441 89 E 3.9187 8.1371 118.0558 58.9014 29.1998 179.3370 90 V 3.6711 7.4756 118.2382 65.4239 31.6199 177.9610 91 L 4.0269 7.6225 118.9163 57.6724 41.3366 178.3351 92 N 4.6448 8.3904 114.9797 54.7976 37.4614 175.9986 93 E 4.2154 7.3720 116.6069 59.3666 30.2066 177.3833 94 Y 3.8745 7.7500 118.1269 60.9359 39.0093 177.8725 95 F 4.3739 8.1968 117.2734 57.0483 39.2184 172.1507 96 H 3.9395 7.5397 123.6417 55.7443 30.9045 174.1498 97 N 4.1760 8.8804 125.5369 53.3790 36.1425 174.9306 98 V 3.7151 7.6078 115.4251 62.7444 32.0825 174.8642 99 C 4.6476 8.8823 114.9359 55.9582 32.0654 174.4333 100 E 3.9238 8.9093 119.0499 59.8183 28.6524 180.0114 101 L 4.1275 7.7303 118.2016 57.8816 41.8272 178.5681 102 D 4.1767 7.5885 118.7296 57.6544 40.4571 179.2053 103 L 3.9598 7.0454 118.1619 56.7780 41.7933 179.1030 104 V 4.0773 8.2885 118.9150 65.4750 31.7587 177.6201 105 F 4.5186 8.5622 114.5434 58.9335 38.9458 175.3218 106 N 4.8982 7.9912 116.1860 52.2058 39.6385 176.0771 107 F 4.3761 8.5785 118.3807 60.7396 37.2781 176.8322 108 Y 3.8751 6.3842 116.6361 58.7699 38.2570 177.1056 109 K 4.3238 7.4669 119.6509 57.4653 33.4038 178.4639 110 V 3.7385 7.9346 119.9361 66.7398 31.3100 177.2277 111 Y 4.1749 7.9797 116.0649 61.1597 37.4751 178.4281 112 T 4.1693 7.7463 109.1971 63.7686 69.5028 177.0212 113 V 3.6436 7.6543 121.3855 65.8882 31.7673 177.5328 114 V 3.9317 7.9465 118.0213 66.6506 31.1746 177.8181 115 D 5.1741 8.1762 117.6181 56.4125 40.4548 177.9826 116 E 4.1317 8.2442 119.9977 58.4066 29.7299 177.4242 117 M 4.2396 7.9518 116.5793 54.2512 33.2481 175.3871 118 F 5.1753 7.2939 117.1921 56.3868 43.5588 172.8708 119 L 4.6430 9.1845 124.5077 55.2757 45.1816 174.8535 120 A 3.6725 10.1074 126.9394 53.0958 16.3092 177.6143 121 G 3.6736 7.1810 109.2061 45.7814 0.0000 174.2692 122 E 4.9066 7.4750 118.1442 54.0442 31.6183 175.5034 123 I 3.9704 8.3212 121.3152 62.1882 37.0509 174.3342 124 R 4.3847 7.5001 120.4556 56.0145 32.8714 174.8442 125 E 4.6675 7.7920 118.8724 54.7507 31.7265 176.2458 126 T 4.2105 8.5272 112.4723 62.2188 70.8721 174.9731 127 S 4.2195 8.1318 116.4674 57.8206 62.8418 174.1050 128 Q 4.0274 8.6869 129.8664 59.3096 28.6084 179.1310 129 T 3.8623 7.7729 116.3146 66.5257 68.5920 176.8199 130 K 4.0085 7.7364 119.6952 59.4054 32.1565 179.8836 131 V 3.6460 7.7592 119.4439 64.7726 31.2184 178.4849 132 L 3.9925 7.9454 119.7208 57.4143 40.9667 179.1927 133 K 3.9391 7.8954 119.2551 59.2486 32.0661 178.5797 134 Q 4.0235 8.0926 119.7243 58.8831 28.9948 177.5836 135 L 3.9393 7.6861 118.6806 57.6452 41.6846 178.8658 136 L 4.4111 7.6794 116.5835 56.0905 42.0147 178.2950 137 M 4.2118 7.4190 117.1172 58.1448 32.7523 176.6931 138 L 4.1670 7.8130 118.5337 55.4127 43.6832 177.4251 139 Q 3.9322 8.7438 120.8910 56.9423 28.9124 174.0278 140 S 4.5920 8.4577 109.7922 57.9592 63.7046 173.9626 141 L 4.3683 7.6254 121.6293 53.6702 42.5419 176.2091 142 E 4.1073 8.7669 122.1021 56.6592 29.4967 176.4436 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 M 8.06 5.09 0.00 2.31 2.05 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 2 I 8.72 3.95 1.61 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.60 0.81 0.00 0.00 3 R 8.80 4.08 0.00 1.15 1.85 0.00 3.07 0.00 0.00 3.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.50 0.00 4 F 7.03 5.37 0.00 2.48 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.48 4.69 1.59 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.01 0.61 0.00 0.00 6 L 8.60 4.55 0.00 1.58 1.43 0.22 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.24 5.25 1.67 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 2.02 0.26 0.00 0.00 8 Q 8.40 5.32 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 9 N 8.18 5.68 0.00 2.96 3.07 0.00 0.00 6.73 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 10 R 8.79 4.06 0.00 1.87 2.14 0.00 3.21 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 11 A 8.24 4.30 1.31 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 0.00 0.00 0.00 12 G 8.84 3.59 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 0.00 0.00 0.00 13 K 8.39 4.12 0.00 1.95 1.77 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.54 7.81 14 T 8.31 4.04 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 1.18 0.00 0.00 15 R 8.27 4.71 0.00 1.71 1.86 0.00 3.23 0.00 0.00 3.16 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 16 L 7.59 4.31 0.00 1.58 1.24 0.26 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17 A 7.85 4.41 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 18 K 7.74 4.04 0.00 1.63 1.33 0.00 1.65 0.00 0.00 2.03 0.00 0.00 3.12 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 0.67 7.81 19 W 8.58 4.90 0.00 3.21 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 20 Y 8.83 5.17 0.00 3.19 2.89 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 21 M 8.09 4.66 0.00 2.07 1.80 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 1.79 2.74 0.00 22 Q 8.40 3.95 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 23 F 8.09 5.15 0.00 2.59 2.48 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 24 D 9.02 4.62 0.00 2.65 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 25 D 8.36 4.21 0.00 2.62 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 26 D 8.00 4.38 0.00 2.64 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 27 E 7.79 3.80 0.00 2.15 1.69 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 2.37 2.34 0.00 28 K 7.93 2.99 0.00 1.57 1.51 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.81 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.88 0.21 7.81 29 Q 7.98 4.04 0.00 2.29 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.48 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 30 K 7.85 3.76 0.00 1.96 1.75 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.46 7.81 31 L 8.24 3.99 0.00 1.73 1.75 1.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.49 3.77 2.04 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.38 0.93 0.00 0.00 33 E 8.32 3.99 0.00 2.21 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 2.33 2.36 0.00 34 E 8.51 4.01 0.00 2.41 2.38 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 2.41 2.49 0.00 35 V 7.88 3.20 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 0.80 0.00 0.00 0.76 0.00 0.00 36 H 7.90 4.04 0.00 3.19 3.51 0.00 5.86 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 37 A 8.10 3.98 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 38 V 7.20 3.96 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 0.87 0.00 0.00 1.05 0.00 0.00 39 V 7.02 2.82 1.74 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 -0.09 0.00 0.00 -0.48 0.00 0.00 40 T 7.28 3.38 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 1.04 0.00 0.00 41 V 6.90 3.88 2.01 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 0.79 0.00 0.00 0.90 0.00 0.00 42 R 7.20 4.36 0.00 1.83 2.00 0.00 3.08 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 43 D 8.50 4.92 0.00 2.91 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 44 A 8.36 3.51 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 45 K 8.95 4.04 0.00 1.59 2.06 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.38 7.81 46 H 7.94 4.57 0.00 3.22 3.30 0.00 5.71 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.07 4.47 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 1.32 0.00 0.00 48 N 7.63 4.22 0.00 1.70 2.36 0.00 0.00 6.55 8.13 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 49 F 7.62 5.52 0.00 2.91 2.89 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 50 V 8.77 4.69 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 0.77 0.00 0.00 0.98 0.00 0.00 51 E 9.04 4.36 0.00 1.92 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 2.37 2.38 0.00 52 F 9.44 4.74 0.00 3.03 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 53 R 7.94 3.29 0.00 1.53 1.18 0.00 2.98 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.82 0.00 54 N 8.24 4.36 0.00 2.47 2.65 0.00 0.00 5.78 7.43 0.00 0.00 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 F 7.39 5.32 0.00 3.21 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 56 K 8.98 5.34 0.00 2.06 1.94 0.00 1.31 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.48 7.81 57 I 8.93 4.87 1.80 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.11 0.80 0.00 0.00 58 I 8.40 4.88 1.98 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.19 1.16 0.00 0.00 59 Y 8.05 5.88 0.00 3.08 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.67 4.58 0.00 1.89 2.06 0.00 3.20 0.00 0.00 2.87 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.44 0.00 61 R 8.70 4.99 0.00 2.06 1.79 0.00 3.35 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.09 0.00 62 Y 9.37 4.38 0.00 2.86 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 63 A 8.30 3.52 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 64 G 8.67 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 0.00 0.00 0.00 65 L 7.94 5.10 0.00 2.08 1.81 1.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 9.01 4.98 0.00 3.12 2.94 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 67 F 9.78 4.78 0.00 3.25 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 68 C 8.68 5.19 0.00 2.86 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 69 I 8.65 4.68 1.74 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 0.85 1.12 0.45 0.00 0.00 70 C 8.25 4.64 0.00 1.54 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 71 V 8.71 4.79 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 -0.09 0.00 0.00 0.79 0.00 0.00 72 D 8.44 4.90 0.00 2.94 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 V 8.69 3.77 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 1.04 0.00 0.00 0.97 0.00 0.00 74 N 8.10 4.93 0.00 2.87 2.90 0.00 0.00 5.96 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 7.52 4.81 0.00 3.05 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 76 N 8.52 4.46 0.00 2.73 2.68 0.00 0.00 7.03 6.71 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 77 N 8.53 4.28 0.00 2.36 1.95 0.00 0.00 7.05 6.74 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 78 L 7.99 4.16 0.00 1.70 1.75 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.14 3.96 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.96 4.20 0.00 3.20 3.02 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 0.00 0.00 0.00 81 L 8.29 4.24 0.00 2.14 1.82 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.04 4.45 0.00 2.07 2.01 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 2.31 2.47 0.00 83 A 8.30 4.07 1.60 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 84 I 8.07 3.83 2.24 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.04 1.09 0.00 0.00 85 H 8.23 4.65 0.00 3.47 3.54 0.00 5.83 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 N 8.76 4.50 0.00 3.01 3.25 0.00 0.00 6.73 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 87 F 8.56 4.28 0.00 3.29 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.36 3.16 1.65 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 0.51 0.00 0.00 -0.52 0.00 0.00 89 E 8.14 3.92 0.00 2.22 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 2.28 2.36 0.00 90 V 7.48 3.67 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 91 L 7.62 4.03 0.00 1.84 1.88 0.89 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.39 4.64 0.00 2.76 2.76 0.00 0.00 7.15 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 93 E 7.37 4.22 0.00 2.28 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 2.49 2.43 0.00 94 Y 7.75 3.87 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 95 F 8.20 4.37 0.00 3.20 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 96 H 7.54 3.94 0.00 3.39 3.28 0.00 5.75 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 97 N 8.88 4.18 0.00 2.92 2.85 0.00 0.00 7.16 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 98 V 7.61 3.72 2.40 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 0.75 0.00 0.00 0.91 0.00 0.00 99 C 8.88 4.65 0.00 3.07 3.02 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 0.00 0.00 0.00 100 E 8.91 3.92 0.00 2.03 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 0.00 2.42 2.45 0.00 101 L 7.73 4.13 0.00 1.58 1.50 0.77 1.22 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 0.00 102 D 7.59 4.18 0.00 1.89 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 0.00 0.00 0.00 103 L 7.05 3.96 0.00 1.93 1.70 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 104 V 8.29 4.08 2.44 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 1.11 0.00 0.00 1.04 0.00 0.00 105 F 8.56 4.52 0.00 2.94 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 0.00 106 N 7.99 4.90 0.00 2.95 2.83 0.00 0.00 6.62 9.28 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 0.00 107 F 8.58 4.38 0.00 3.49 3.60 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 0.00 108 Y 6.38 3.88 0.00 2.84 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 0.00 0.00 0.00 109 K 7.47 4.32 0.00 1.99 2.00 0.00 1.52 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.59 1.46 7.81 110 V 7.93 3.74 2.37 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 1.03 0.00 0.00 1.08 0.00 0.00 111 Y 7.98 4.17 0.00 3.37 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 0.00 112 T 7.75 4.17 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 1.35 0.00 0.00 113 V 7.65 3.64 2.28 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 0.97 0.00 0.00 0.59 0.00 0.00 114 V 7.95 3.93 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 1.07 0.00 0.00 1.05 0.00 0.00 115 D 8.18 5.17 0.00 2.94 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 0.00 116 E 8.24 4.13 0.00 2.32 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 2.27 2.37 0.00 117 M 7.95 4.24 0.00 1.73 1.89 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.50 0.00 118 F 7.29 5.18 0.00 3.27 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 0.00 119 L 9.18 4.64 0.00 1.73 1.47 1.07 1.37 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 0.00 120 A 10.11 3.67 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 0.00 121 G 7.18 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 0.00 122 E 7.47 4.91 0.00 2.01 1.87 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 2.23 2.40 0.00 123 I 8.32 3.97 1.85 0.00 0.00 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 1.38 0.72 0.79 0.00 0.00 124 R 7.50 4.38 0.00 1.73 1.85 0.00 3.24 0.00 0.00 3.39 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 125 E 7.79 4.67 0.00 2.08 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 2.21 2.32 0.00 126 T 8.53 4.21 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 1.13 0.00 0.00 127 S 8.13 4.22 0.00 3.89 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 0.00 128 Q 8.69 4.03 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.62 0.00 129 T 7.77 3.86 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 1.21 0.00 0.00 130 K 7.74 4.01 0.00 1.81 1.83 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.43 7.81 131 V 7.76 3.65 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 0.86 0.00 0.00 0.87 0.00 0.00 132 L 7.95 3.99 0.00 1.73 1.76 0.92 0.54 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 0.00 133 K 7.90 3.94 0.00 1.97 2.01 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 134 Q 8.09 4.02 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.51 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 135 L 7.69 3.94 0.00 1.68 1.57 0.46 0.41 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 0.00 136 L 7.68 4.41 0.00 1.74 1.74 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 137 M 7.42 4.21 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.73 0.00 138 L 7.81 4.17 0.00 1.78 1.66 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 139 Q 8.74 3.93 0.00 2.36 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.92 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 140 S 8.46 4.59 0.00 3.98 4.01 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 0.00 141 L 7.63 4.37 0.00 1.68 1.65 0.94 0.92 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 0.00 142 E 8.77 4.11 0.00 1.91 1.85 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 2.30 2.38 0.00