NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3108 8.3344 115.4116 57.5882 64.2970 172.6043 2 M 3.7150 8.5880 120.5125 56.3420 31.7499 174.1239 3 Q 4.5240 8.7168 124.0181 55.1833 29.6442 175.0560 4 D 4.3495 7.6452 119.1389 52.8763 42.2352 174.0708 5 P 4.0969 0.0000 0.0000 65.7844 32.0447 178.7053 6 I 3.5561 7.9661 120.3850 63.8942 37.5650 177.9360 7 A 3.8901 7.7310 120.4150 55.4165 18.0897 178.9413 8 D 4.6840 8.0128 117.7180 58.2037 41.1046 177.7357 9 M 4.0624 8.1134 118.3433 57.9559 31.9640 177.6756 10 L 3.9383 7.8259 118.7935 59.3211 40.5007 179.5552 11 T 3.8135 8.5079 110.8935 64.5952 68.2468 176.2489 12 R 4.1448 8.3622 120.2185 57.3742 30.2697 178.9646 13 I 3.7006 7.9389 121.2059 64.3607 37.2857 178.4421 14 R 3.9907 8.1220 117.0062 59.2431 29.1390 177.9434 15 N 4.3245 7.7382 116.8525 56.2586 39.0045 176.1272 16 G 3.9085 7.6883 105.6057 46.2767 0.0000 175.5934 17 Q 4.1583 8.5003 120.6298 59.3534 28.6143 179.5466 18 A 4.1006 7.9384 119.4880 54.5606 18.3992 178.4578 19 A 4.5489 7.9451 117.5480 50.7569 19.0913 173.9164 20 N 4.3327 8.3948 123.4327 53.7338 37.5019 173.4273 21 K 4.4655 9.8509 124.5339 54.6706 35.9906 176.8179 22 A 4.2432 8.5150 124.3986 52.7932 19.7173 176.4970 23 A 5.4414 7.3692 114.0561 51.7092 21.6377 175.8761 24 V 4.5668 7.9669 119.9573 60.0559 35.4582 173.9216 25 T 5.0778 8.1994 114.0849 59.5323 70.3242 172.3142 26 M 4.4658 8.1248 121.5163 53.7227 34.0482 172.0585 27 P 5.1735 0.0000 0.0000 62.7670 31.7314 176.4141 28 S 4.5875 8.6477 119.0807 58.1071 64.9156 173.1896 29 S 4.5243 8.4786 111.8479 55.8415 65.2709 174.8774 30 K 3.8986 8.8793 128.6917 59.8445 31.6475 178.2772 31 L 3.9202 7.8435 118.2299 58.3122 42.2588 178.5533 32 K 3.9871 7.9889 117.7258 59.8744 31.7627 178.6077 33 V 3.4558 7.9117 118.6407 65.3799 31.2232 177.5716 34 A 3.9694 7.9222 122.0751 55.0442 18.4761 179.5623 35 I 3.8404 7.4092 118.2230 64.3502 37.0421 178.0935 36 A 3.8231 7.8797 121.4075 54.8914 17.8831 179.1002 37 N 4.4026 7.9352 115.5710 56.4455 39.0745 177.1216 38 V 3.7742 8.1981 121.0831 64.4999 32.0042 178.1545 39 L 4.1638 8.0043 119.2596 57.5590 41.4335 179.4227 40 K 4.4762 7.8051 119.7701 58.9981 32.0779 178.2856 41 E 3.9509 7.7779 117.0699 59.8725 29.6052 179.0045 42 E 3.9748 8.0569 118.0345 57.7961 29.6547 177.7855 43 G 3.8784 7.7888 106.1861 45.3691 0.0000 174.3528 44 F 4.6960 8.0886 120.3197 59.4800 40.0127 175.4289 45 I 4.6558 7.6955 110.7081 58.9924 40.6666 175.3261 46 E 4.0097 9.2428 123.7599 58.9837 28.9980 178.2912 47 D 4.8113 9.2226 118.2805 54.6528 45.2078 173.2750 48 F 5.4463 7.9760 110.8168 56.1483 40.6973 173.5229 49 K 4.6920 9.3143 121.7851 54.8826 36.0511 175.1967 50 V 5.2899 8.4954 126.4447 59.6922 33.0490 175.3898 51 E 4.4352 8.9843 127.1235 56.0590 30.0493 175.9012 52 G 4.4477 7.7160 117.2936 45.5471 0.0000 169.1064 53 D 4.7348 8.2116 117.4150 54.6772 41.7061 177.5085 54 T 4.1863 7.9005 114.7243 62.7465 68.0186 175.4754 55 K 4.4889 7.5209 120.5283 53.9200 32.1509 173.3191 56 P 4.8610 0.0000 0.0000 63.4069 34.0067 175.0983 57 E 4.8353 8.4519 116.6577 54.8801 34.3405 175.0415 58 L 4.2860 9.6634 126.9557 54.0488 43.2315 174.7142 59 E 5.1159 9.6898 130.4615 53.8968 29.2972 173.1225 60 L 5.3035 8.0875 124.9025 53.7890 43.4147 175.6371 61 T 4.8865 9.3402 114.5008 61.1782 70.4786 173.6499 62 L 4.6822 9.2979 127.8877 53.9179 42.8038 176.3426 63 K 4.3821 8.7296 126.3635 56.2334 33.1980 175.7721 64 Y 5.1112 8.8378 124.3981 56.3778 41.6982 175.7101 65 F 4.8727 8.5463 125.6661 57.3891 39.3424 176.7051 66 Q 4.3379 9.4466 115.6911 58.6583 29.0983 177.0292 67 G 4.2903 7.9295 104.7909 46.1950 0.0000 175.8331 68 K 4.0422 8.6400 122.7434 55.6139 33.9222 176.0253 69 A 4.8090 7.3912 122.3791 50.7429 19.8598 177.9695 70 V 3.9154 8.1970 111.3693 64.2816 31.7337 178.0174 71 V 3.6418 7.6749 112.5541 60.6381 28.8657 175.2915 72 E 3.6977 8.0490 123.7707 58.3661 29.9105 179.8092 73 S 4.6961 7.4861 118.2253 58.2467 66.2806 172.8557 74 I 3.9131 7.7443 115.1687 61.2327 40.4952 173.2467 75 Q 4.4258 8.1925 128.6930 55.5440 33.3587 172.1629 76 R 4.1463 8.3052 123.5042 55.7332 30.8835 174.7093 77 V 3.3975 8.4622 128.4995 64.7480 31.2607 176.4135 78 S 4.3240 6.7161 115.1469 58.6178 64.0915 173.9816 79 R 4.4779 7.9855 119.9554 53.7253 32.3923 172.1873 80 P 4.0959 0.0000 0.0000 67.3194 30.4268 175.6984 81 G 4.0555 8.9240 111.3884 44.9956 0.0000 172.5921 82 L 4.4782 7.7686 117.0919 54.2394 44.2399 174.7233 83 R 4.0486 8.0087 118.6748 56.1819 30.8018 176.7463 84 I 4.4580 8.1760 123.5660 59.9396 39.2036 175.1744 85 Y 4.8993 8.3881 124.2910 55.8493 37.3337 175.1265 86 K 4.0950 7.8616 120.4141 56.3795 32.9067 177.8242 87 R 4.5495 8.3068 121.6059 54.3463 31.1778 177.1501 88 K 3.8999 8.5566 119.6671 60.0938 32.1935 177.4716 89 D 4.5108 8.1772 117.3650 56.8522 41.1427 177.2967 90 E 4.5433 7.4747 118.6132 54.3711 28.2882 174.8429 91 L 4.7966 7.4494 120.2433 51.6026 45.0034 175.0944 92 P 4.5883 0.0000 0.0000 62.7472 32.3694 174.9555 93 K 4.1857 7.8659 116.1253 57.7786 34.8810 172.5546 94 V 2.7610 7.6655 125.7048 63.4136 32.6681 171.7365 95 M 3.1675 9.4678 127.4458 56.6873 30.9821 176.6008 96 A 3.4644 7.4835 123.0492 53.2669 17.8186 178.7228 97 G 4.1000 8.3461 97.5724 42.9594 0.0000 171.8324 98 L 4.5101 7.2337 126.0999 56.2972 43.1078 176.1489 99 G 4.1481 7.9373 107.7833 44.8898 0.0000 172.3850 100 I 5.4173 8.7346 114.6512 58.2849 40.9001 174.5885 101 A 5.0870 8.0562 123.5093 51.5795 22.1359 176.4133 102 V 3.6402 8.1725 117.4672 62.4332 32.3920 175.9501 103 V 4.7629 8.3467 125.8877 60.4708 32.4685 172.6750 104 S 4.6004 8.3897 119.1441 58.2174 62.9373 173.0259 105 T 4.5994 8.3751 116.7799 60.6458 71.1096 172.8249 106 S 4.1388 7.6146 115.5596 62.7402 63.3218 176.9702 107 K 4.1944 7.6564 120.5872 56.2400 31.4383 177.5550 108 G 3.7977 7.9078 108.8136 45.0593 0.0000 172.8415 109 V 5.0060 7.6896 116.7662 60.6852 31.0858 178.0218 110 M 4.8245 7.6402 133.2661 53.9453 31.5867 178.4774 111 T 4.5767 8.7438 122.9710 63.6260 72.5767 173.9798 112 D 4.3468 8.3341 123.7316 56.8204 38.8339 179.3131 113 R 3.8088 7.8513 120.6375 58.4088 30.3407 177.6756 114 A 4.1066 7.7753 119.9543 54.8997 19.0021 179.3335 115 A 3.8829 8.7204 119.0728 55.0524 18.8280 178.7899 116 R 3.8170 7.2491 113.5886 59.3073 29.9672 176.7436 117 Q 4.1069 8.4965 116.4794 57.6909 29.2036 178.4127 118 A 4.2512 8.2786 120.4080 52.8446 17.7366 179.0859 119 G 4.0201 8.3456 104.8775 46.7363 0.0000 173.4009 120 L 4.8259 7.4036 117.1881 53.3053 45.8429 176.3801 121 G 4.6649 7.8199 105.8095 46.1897 0.0000 172.4875 122 G 4.4560 7.7155 116.2901 45.5194 0.0000 171.2686 123 E 4.0022 8.8029 123.0377 56.0475 30.3133 177.2553 124 I 4.2582 7.4926 119.0049 60.5933 39.6859 174.3400 125 I 4.4906 8.4540 120.0201 61.3820 40.0181 175.9902 126 C 4.5471 7.4777 113.4046 58.9368 32.8858 170.9368 127 Y 4.6401 7.3044 113.5954 57.1928 40.4476 173.9590 128 V 4.1025 8.7779 111.6905 61.3035 34.1500 176.0019 129 A 4.3105 7.0985 125.3243 52.3495 19.1601 176.3976 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 8.33 4.31 0.00 3.99 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 M 8.59 3.72 0.00 2.07 2.06 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 2.58 2.61 0.00 3 Q 8.72 4.52 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.63 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 4 D 7.65 4.35 0.00 2.63 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 5 P 0.00 4.10 0.00 2.24 2.26 0.00 3.76 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 2.04 1.97 0.00 6 I 7.97 3.56 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 1.30 1.09 0.86 0.00 0.00 7 A 7.73 3.89 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 8 D 8.01 4.68 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 M 8.11 4.06 0.00 2.06 2.03 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 2.56 2.51 0.00 10 L 7.83 3.94 0.00 1.84 1.87 0.84 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.51 3.81 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 1.17 0.00 0.00 12 R 8.36 4.14 0.00 1.95 2.01 0.00 3.12 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 13 I 7.94 3.70 2.05 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.67 0.90 0.00 0.00 14 R 8.12 3.99 0.00 2.02 2.15 0.00 2.77 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.62 0.00 15 N 7.74 4.32 0.00 3.07 2.92 0.00 0.00 7.13 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 16 G 7.69 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 17 Q 8.50 4.16 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 18 A 7.94 4.10 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 19 A 7.95 4.55 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 20 N 8.39 4.33 0.00 2.97 2.93 0.00 0.00 6.85 6.08 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 21 K 9.85 4.47 0.00 1.72 1.68 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.56 7.81 22 A 8.51 4.24 1.17 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 0.00 0.00 23 A 7.37 5.44 1.23 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 0.00 0.00 24 V 7.97 4.57 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 0.82 0.00 0.00 0.95 0.00 0.00 25 T 8.20 5.08 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 1.22 0.00 0.00 26 M 8.12 4.47 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 27 P 0.00 5.17 0.00 2.09 2.12 0.00 3.36 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 28 S 8.65 4.59 0.00 3.90 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 29 S 8.48 4.52 0.00 3.82 3.66 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 30 K 8.88 3.90 0.00 1.82 1.82 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.49 7.81 31 L 7.84 3.92 0.00 1.64 1.66 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.99 3.99 0.00 1.96 1.79 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.47 7.81 33 V 7.91 3.46 2.20 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 1.02 0.00 0.00 0.98 0.00 0.00 34 A 7.92 3.97 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 35 I 7.41 3.84 1.98 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 1.42 0.78 0.86 0.00 0.00 36 A 7.88 3.82 0.71 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 37 N 7.94 4.40 0.00 2.80 2.84 0.00 0.00 6.99 7.71 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 38 V 8.20 3.77 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 0.92 0.00 0.00 1.01 0.00 0.00 39 L 8.00 4.16 0.00 1.71 1.87 0.90 0.59 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 40 K 7.81 4.48 0.00 2.03 2.18 0.00 2.01 0.00 0.00 1.99 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.61 7.81 41 E 7.78 3.95 0.00 2.22 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 0.00 2.50 2.53 0.00 42 E 8.06 3.97 0.00 2.20 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 2.30 2.62 0.00 43 G 7.79 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 44 F 8.09 4.70 0.00 3.34 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 45 I 7.70 4.66 2.25 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.07 1.01 0.00 0.00 46 E 9.24 4.01 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 47 D 9.22 4.81 0.00 2.69 2.46 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 48 F 7.98 5.45 0.00 3.07 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 49 K 9.31 4.69 0.00 1.73 1.63 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.27 1.49 7.81 50 V 8.50 5.29 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 0.82 0.00 0.00 1.02 0.00 0.00 51 E 8.98 4.44 0.00 1.96 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 2.33 2.31 0.00 52 G 7.72 4.45 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 53 D 8.21 4.73 0.00 2.77 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.90 4.19 4.24 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 1.21 0.00 0.00 55 K 7.52 4.49 0.00 1.85 1.77 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.38 7.81 56 P 0.00 4.86 0.00 2.15 2.33 0.00 3.69 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 2.08 2.01 0.00 57 E 8.45 4.84 0.00 2.08 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 2.23 2.34 0.00 58 L 9.66 4.29 0.00 1.59 1.58 0.84 0.86 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 59 E 9.69 5.12 0.00 2.15 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 2.27 2.10 0.00 60 L 8.09 5.30 0.00 1.90 1.91 0.96 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 61 T 9.34 4.89 4.45 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 1.27 0.00 0.00 62 L 9.30 4.68 0.00 1.97 1.98 1.05 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.73 4.38 0.00 1.90 1.87 0.00 1.44 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.46 7.81 64 Y 8.84 5.11 0.00 2.91 2.95 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 0.00 0.00 0.00 65 F 8.55 4.87 0.00 2.98 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 0.00 0.00 0.00 66 Q 9.45 4.34 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 1.98 2.15 0.00 67 G 7.93 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 0.00 0.00 0.00 0.00 68 K 8.64 4.04 0.00 1.84 1.67 0.00 1.59 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.48 7.81 69 A 7.39 4.81 0.98 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 70 V 8.20 3.92 2.34 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 0.84 0.00 0.00 1.16 0.00 0.00 71 V 7.67 3.64 1.94 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 0.42 0.00 0.00 0.88 0.00 0.00 72 E 8.05 3.70 0.00 1.96 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 2.31 2.42 0.00 73 S 7.49 4.70 0.00 4.09 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 74 I 7.74 3.91 1.80 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 1.17 0.42 0.87 0.00 0.00 75 Q 8.19 4.43 0.00 2.12 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.55 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 76 R 8.31 4.15 0.00 1.72 1.71 0.00 3.21 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.63 0.00 77 V 8.46 3.40 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 0.79 0.00 0.00 0.41 0.00 0.00 78 S 6.72 4.32 0.00 3.90 3.62 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 79 R 7.99 4.48 0.00 1.88 1.93 0.00 2.78 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.76 0.00 80 P 0.00 4.10 0.00 2.18 2.14 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 81 G 8.92 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.77 4.48 0.00 1.63 1.48 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.01 4.05 0.00 1.93 1.58 0.00 3.45 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.50 0.00 84 I 8.18 4.46 1.79 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 1.29 1.10 0.92 0.00 0.00 85 Y 8.39 4.90 0.00 2.86 2.91 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 86 K 7.86 4.09 0.00 1.77 1.92 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.50 7.81 87 R 8.31 4.55 0.00 1.90 1.88 0.00 3.44 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 88 K 8.56 3.90 0.00 1.87 1.85 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 89 D 8.18 4.51 0.00 2.69 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 90 E 7.47 4.54 0.00 1.98 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 2.27 2.26 0.00 91 L 7.45 4.80 0.00 1.61 1.56 0.96 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.59 0.00 2.16 2.16 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 93 K 7.87 4.19 0.00 1.61 1.70 0.00 1.78 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.59 7.81 94 V 7.67 2.76 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 0.35 0.00 0.00 -0.15 0.00 0.00 95 M 9.47 3.17 0.00 2.06 1.96 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 2.49 2.51 0.00 96 A 7.48 3.46 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 97 G 8.35 4.10 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 0.00 0.00 0.00 98 L 7.23 4.51 0.00 1.70 1.74 0.99 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.94 4.15 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 0.00 0.00 0.00 100 I 8.73 5.42 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.30 1.21 0.00 0.00 101 A 8.06 5.09 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 0.00 102 V 8.17 3.64 2.07 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 0.74 0.00 0.00 0.97 0.00 0.00 103 V 8.35 4.76 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 1.00 0.00 0.00 1.00 0.00 0.00 104 S 8.39 4.60 0.00 3.96 3.74 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 0.00 105 T 8.38 4.60 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 1.33 0.00 0.00 106 S 7.61 4.14 0.00 4.02 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 7.66 4.19 0.00 1.76 1.82 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.39 7.81 108 G 7.91 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.69 5.01 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 1.03 0.00 0.00 0.93 0.00 0.00 110 M 7.64 4.82 0.00 2.08 1.43 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 2.62 2.63 0.00 111 T 8.74 4.58 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 0.00 112 D 8.33 4.35 0.00 2.97 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 0.00 113 R 7.85 3.81 0.00 1.88 1.92 0.00 3.20 0.00 0.00 3.35 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 114 A 7.78 4.11 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 0.00 115 A 8.72 3.88 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 0.00 116 R 7.25 3.82 0.00 2.19 1.87 0.00 3.27 0.00 0.00 3.28 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 117 Q 8.50 4.11 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 118 A 8.28 4.25 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 0.00 119 G 8.35 4.02 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 0.00 0.00 0.00 120 L 7.40 4.83 0.00 1.64 1.58 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 121 G 7.82 4.66 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 0.00 0.00 0.00 122 G 7.72 4.46 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 0.00 123 E 8.80 4.00 0.00 2.01 1.78 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 2.14 1.58 0.00 124 I 7.49 4.26 1.89 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 1.23 0.55 0.93 0.00 0.00 125 I 8.45 4.49 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 1.21 0.75 0.84 0.00 0.00 126 C 7.48 4.55 0.00 2.95 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 0.00 127 Y 7.30 4.64 0.00 2.98 3.08 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 0.00 128 V 8.78 4.10 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 0.59 0.00 0.00 0.36 0.00 0.00 129 A 7.10 4.31 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