NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5258 8.1627 120.3617 55.9260 34.5622 177.2193 2 M 3.9767 8.0563 117.4980 57.9369 32.3367 176.3538 3 D 4.3883 8.3529 118.0279 57.3428 41.8951 177.0605 4 Y 4.1341 7.9359 119.6223 60.7020 38.9687 177.6419 5 L 3.7072 8.3825 120.2996 57.7729 41.2284 179.2971 6 I 3.7054 7.8156 119.8800 64.8811 36.9711 178.4149 7 T 4.1414 7.9133 108.3368 63.3674 68.8286 174.9964 8 Q 4.3567 7.3842 119.5439 54.7190 29.5131 175.3244 9 N 4.1144 7.4993 113.3804 54.2281 36.8357 174.8454 10 G 4.0687 8.4417 99.2010 45.1876 0.0000 175.0758 11 G 3.9099 7.7713 109.9851 47.3607 0.0000 175.4955 12 M 3.9289 8.2318 120.1820 59.1302 31.9894 178.4271 13 V 3.5107 7.5516 111.6471 64.6686 31.6083 178.6497 14 F 4.3427 8.0200 117.0365 60.2921 38.7658 177.7239 15 A 4.0758 8.0216 120.3045 54.8345 18.2142 179.7079 16 V 3.5112 8.1566 117.3354 66.1640 31.5889 178.0611 17 L 3.9951 8.1800 119.8877 57.9051 41.8360 178.7492 18 A 4.3231 8.1832 122.3654 54.9955 18.3941 179.4956 19 M 4.0069 8.1582 116.8880 58.3875 32.0351 178.7760 20 A 3.9916 8.2041 121.1702 55.3328 18.4423 179.7259 21 T 3.9647 8.3613 108.2903 65.1009 68.4574 176.1830 22 A 4.0808 8.1782 124.4059 55.0480 18.3684 179.8245 23 T 3.8032 7.9268 113.8017 66.9298 68.6127 176.9726 24 I 3.5031 8.1063 121.8812 64.5465 37.1184 178.6412 25 F 4.0966 7.6868 118.1827 60.4042 38.7172 178.0542 26 S 4.2924 7.8302 113.8981 61.4021 62.8212 176.7588 27 G 3.5865 8.2336 109.4451 47.5049 0.0000 175.7089 28 I 3.7631 8.2222 122.8185 63.9482 37.0566 178.5841 29 G 3.6923 8.0285 106.5393 48.1131 0.0000 175.8995 30 S 4.5459 8.4658 118.9144 60.6079 62.8669 176.5336 31 A 3.9513 8.4011 123.8671 55.1475 18.0993 179.9325 32 K 4.0166 8.5036 117.4321 59.4569 32.1886 179.9584 33 G 3.5341 8.2329 106.0869 47.9103 0.0000 175.9600 34 V 3.7089 8.4663 121.8756 65.2767 31.4439 178.1251 35 G 3.6222 8.1607 105.5141 48.0704 0.0000 175.0498 36 M 4.0089 8.4056 121.7397 58.6219 32.2825 178.4695 37 T 3.9929 8.0806 115.7912 66.4536 68.5607 176.7019 38 G 3.7410 8.4782 108.1095 47.9867 0.0000 175.3853 39 E 3.9686 8.3933 120.8935 59.1240 29.5266 179.4188 40 A 3.9896 7.9387 120.0565 55.1050 18.4667 179.5531 41 A 3.9547 8.5772 119.5160 55.1351 18.3051 179.6993 42 A 3.9579 8.5256 119.5176 55.2195 18.2659 179.5647 43 A 3.9376 7.8490 117.9878 55.3932 18.7477 179.1979 44 L 4.0552 8.0447 118.6856 58.7943 41.4864 179.4040 45 T 4.1097 8.1061 115.7050 66.5067 68.1054 176.6224 46 T 4.0739 7.6993 111.2355 63.7080 68.7593 175.1378 47 S 4.6385 7.5445 115.1134 58.5800 65.3544 174.3260 48 Q 4.6961 8.3446 120.1203 53.0441 28.7289 174.0270 49 P 4.4347 0.0000 0.0000 64.7585 32.0900 179.0831 50 E 4.1719 8.1559 115.9975 58.1518 29.9682 177.2887 51 K 4.5913 7.8919 119.1880 56.4902 32.5922 177.8022 52 F 4.3170 8.3358 123.2322 61.6488 39.1589 177.3943 53 G 3.4776 8.1578 104.3885 48.0244 0.0000 175.4021 54 Q 3.9372 7.9692 119.9406 58.4735 28.8035 178.4455 55 A 3.9671 7.9961 121.8434 54.9514 18.4946 179.4518 56 L 3.6604 7.8318 119.2109 58.2013 41.8820 179.1476 57 I 3.6230 7.2392 118.4404 64.4802 36.8261 177.9508 58 L 4.0995 7.7169 119.3074 57.9870 41.2326 179.4927 59 Q 4.0264 7.7448 118.2717 58.9207 29.1538 177.8806 60 L 4.0969 7.7324 119.8340 57.0275 41.2246 178.9586 61 L 3.9195 7.4894 118.3390 57.6479 41.8101 177.4557 62 P 5.0653 0.0000 0.0000 63.1481 30.6641 178.0557 63 G 3.7505 8.2859 106.5824 46.5113 0.0000 176.0534 64 T 3.7227 7.4510 112.1526 64.4029 68.7495 176.5051 65 Q 4.1686 8.0616 120.6906 59.1516 28.8184 179.4310 66 G 3.6627 8.3009 106.4425 47.5678 0.0000 175.7985 67 L 4.0268 7.1005 118.1751 57.7581 41.5071 178.8911 68 Y 4.3743 7.6485 116.8710 61.1805 37.8226 179.0567 69 G 4.3193 8.2585 107.7938 47.3524 0.0000 175.2582 70 F 4.1708 8.4776 123.4246 61.0610 39.3712 177.3381 71 V 3.7367 8.3411 117.7410 66.1964 31.3625 177.9525 72 I 3.8179 8.4967 119.5737 64.4074 36.9281 178.1502 73 A 3.9812 8.4739 121.9593 55.3458 18.2384 179.5546 74 F 3.9260 8.3564 119.3137 61.0779 39.1514 177.1860 75 L 3.9799 7.9494 119.6325 57.9160 42.1640 178.6335 76 I 3.6170 7.8976 119.9540 64.1635 36.9564 177.8781 77 F 3.9974 8.0445 121.7642 61.3368 38.9922 176.8759 78 I 3.6307 7.2248 109.2729 62.1482 37.4997 176.4830 79 N 4.8036 7.3022 117.4960 54.7770 39.4223 176.5907 80 L 4.0895 7.2414 123.3037 54.7956 42.0741 174.9204 81 G 3.8259 8.2509 107.4542 44.7154 0.0000 173.6497 82 S 4.3499 8.2753 117.3074 58.8769 63.6951 174.0814 83 D 4.5864 7.8278 119.8047 54.5075 41.5118 175.4394 84 M 4.1904 7.7391 119.3050 55.8140 32.9323 175.8815 85 S 4.6545 8.4466 120.9692 57.6778 65.8036 175.4161 86 V 3.6890 8.2375 121.6759 66.0532 31.2004 178.1357 87 V 3.4769 7.7721 117.5508 66.1355 31.3731 177.6070 88 Q 3.9051 7.9654 118.7083 59.0316 28.9227 178.3018 89 G 3.9761 8.4538 106.9621 48.1464 0.0000 175.5873 90 L 3.9351 8.3264 122.1567 57.3982 41.4557 179.3478 91 N 4.2570 8.2907 116.6854 56.3370 38.5368 177.4316 92 F 4.2635 8.1825 119.1297 60.4403 38.7780 177.4626 93 L 4.2129 8.0640 119.1834 58.0949 42.2001 178.9666 94 G 3.7479 8.5796 105.8882 47.8665 0.0000 175.4129 95 A 4.0958 8.3396 123.9425 54.8872 18.3343 179.6461 96 S 4.2920 8.2328 111.9374 60.7845 63.2119 176.7701 97 L 4.1713 7.9050 123.3784 57.3638 41.4245 177.1422 98 P 4.3605 0.0000 0.0000 66.0114 31.3575 178.4797 99 I 3.8641 8.2017 116.9753 63.8009 37.9068 177.5679 100 A 3.9667 8.0644 121.7885 55.3481 18.2294 179.3769 101 F 4.5396 8.4097 115.7675 59.9764 39.6140 178.6188 102 T 4.2594 8.4428 109.8866 64.6227 68.5012 176.8594 103 G 3.7168 8.3663 108.5879 47.5737 0.0000 175.0660 104 L 4.0147 8.0130 123.4385 58.1038 41.9934 179.2347 105 F 4.2224 8.5198 117.6547 60.4036 38.8832 178.1243 106 S 4.3842 8.9140 114.6905 61.2082 62.8493 176.5811 107 G 3.8629 8.3521 109.4337 47.7800 0.0000 175.4885 108 I 3.7057 7.6378 122.1112 63.9126 37.3217 178.3920 109 A 4.0573 8.3684 121.7565 55.3475 18.3648 179.4871 110 Q 4.1031 9.0768 119.1547 59.1956 29.0841 178.5600 111 G 3.6888 8.3076 106.8864 47.7519 0.0000 175.8095 112 K 4.0182 7.9762 120.3657 59.1960 31.9958 179.6962 113 V 3.5855 7.7833 117.8626 65.8396 31.3918 177.8464 114 A 3.9828 8.5667 120.7101 55.1689 18.0163 179.2633 115 A 3.9270 8.2065 118.1330 55.4579 18.7567 179.3119 116 A 4.1845 8.2309 119.2370 55.3641 18.4492 180.0522 117 G 3.7233 8.4014 104.3084 48.0162 0.0000 175.7888 118 I 3.7733 7.5516 121.7029 64.5395 37.0331 178.3672 119 Q 4.0498 8.1759 118.7793 58.4855 28.4300 178.6287 120 I 3.7032 7.6364 120.7167 64.2908 37.0531 177.6984 121 L 3.8599 7.8136 119.5510 58.2778 41.8853 178.6356 122 A 4.1385 7.9874 119.5141 54.8751 18.4362 178.9717 123 K 4.3570 7.8871 114.9218 57.0862 34.5983 177.5899 124 K 4.7106 8.6703 118.1426 53.6282 32.7083 175.0309 125 P 4.4944 0.0000 0.0000 65.5909 31.6741 178.9582 126 E 4.1180 8.1748 114.8981 58.1562 29.9306 176.8135 127 H 4.8133 8.5466 117.1662 55.6165 29.5357 176.0608 128 A 4.0580 7.8412 125.2105 55.6143 17.8929 180.5366 129 T 3.8019 7.9730 113.8443 66.8229 68.3812 176.5029 130 K 3.7375 8.1158 120.4298 59.3553 32.1768 179.5330 131 G 3.7758 8.0575 105.3988 47.8439 0.0000 175.5803 132 I 3.7363 7.6732 121.8900 64.2323 37.1283 178.5862 133 I 3.6475 7.8306 120.7230 64.3583 36.6852 178.3292 134 F 4.4558 7.7818 117.2782 60.8657 39.1947 177.3852 135 A 4.2156 8.2028 119.7329 55.0666 18.1862 179.5078 136 A 4.0150 8.4755 119.7833 55.5754 17.9465 179.6702 137 M 4.0566 8.1974 117.2964 58.5871 31.9718 179.0132 138 V 3.6677 7.9638 118.0166 65.4643 31.6815 177.4304 139 E 4.0061 8.3526 119.5626 59.6751 29.2997 178.8117 140 T 3.6244 7.1890 115.3931 67.0897 68.4285 175.6364 141 Y 4.3004 7.4174 117.1975 60.3536 37.9758 177.9849 142 A 4.1747 8.0831 121.7482 55.1123 18.5837 179.5358 143 I 3.3264 7.6957 118.3213 64.3758 37.1989 178.6006 144 L 4.0877 8.3384 120.3585 57.7617 41.4982 179.7339 145 G 4.1826 8.1200 106.9376 47.2621 0.0000 175.3704 146 F 4.2208 8.6974 123.6247 60.9473 39.3101 177.3329 147 V 3.4088 8.2010 118.1864 65.9654 31.2921 177.9666 148 I 3.6850 7.7668 119.3904 64.6098 36.9201 178.4188 149 S 4.3726 8.0370 117.1715 60.8943 62.6574 176.5475 150 F 3.7637 8.2846 123.4209 61.3052 38.9852 177.0477 151 L 4.0148 8.1923 118.5648 57.9996 41.5437 179.6962 152 L 3.9575 8.1085 118.8976 57.5432 41.2758 179.7685 153 V 3.6068 7.7468 117.7317 66.0753 31.6224 177.9727 154 L 3.9947 7.5051 117.2014 56.7815 41.4585 177.9101 155 N 4.6446 7.3212 113.9994 53.1518 39.3666 174.8715 156 A 3.9354 7.2840 125.7954 53.1393 18.4285 177.0250 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 8.16 4.53 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.66 0.00 2 M 8.06 3.98 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.78 0.00 3 D 8.35 4.39 0.00 2.80 2.72 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 4 Y 7.94 4.13 0.00 3.09 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 5 L 8.38 3.71 0.00 1.81 1.77 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.82 3.71 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.11 0.92 0.00 0.00 7 T 7.91 4.14 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 1.27 0.00 0.00 8 Q 7.38 4.36 0.00 1.55 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.64 0.00 0.00 0.00 0.00 0.00 2.14 2.00 0.00 9 N 7.50 4.11 0.00 2.77 2.94 0.00 0.00 6.81 7.53 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 10 G 8.44 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 11 G 7.77 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 12 M 8.23 3.93 0.00 2.06 2.09 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 2.64 2.64 0.00 13 V 7.55 3.51 1.80 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 0.62 0.00 0.00 0.15 0.00 0.00 14 F 8.02 4.34 0.00 3.35 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 15 A 8.02 4.08 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 16 V 8.16 3.51 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 0.99 0.00 0.00 0.95 0.00 0.00 17 L 8.18 4.00 0.00 1.97 1.97 1.00 1.28 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 18 A 8.18 4.32 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 M 8.16 4.01 0.00 2.08 2.27 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 2.72 2.72 0.00 20 A 8.20 3.99 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 21 T 8.36 3.96 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 1.52 0.00 0.00 22 A 8.18 4.08 1.48 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 0.00 0.00 23 T 7.93 3.80 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 1.29 0.00 0.00 24 I 8.11 3.50 1.45 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 1.35 0.49 0.22 0.00 0.00 25 F 7.69 4.10 0.00 2.82 2.80 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 26 S 7.83 4.29 0.00 4.22 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 0.00 27 G 8.23 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 28 I 8.22 3.76 1.95 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.63 0.88 0.00 0.00 29 G 8.03 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 30 S 8.47 4.55 0.00 3.85 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 31 A 8.40 3.95 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 32 K 8.50 4.02 0.00 1.85 1.85 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.43 7.81 33 G 8.23 3.53 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 0.00 34 V 8.47 3.71 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 1.02 0.00 0.00 1.00 0.00 0.00 35 G 8.16 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 0.00 0.00 0.00 36 M 8.41 4.01 0.00 2.17 2.09 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 2.61 2.60 0.00 37 T 8.08 3.99 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 38 G 8.48 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 0.00 0.00 0.00 39 E 8.39 3.97 0.00 2.20 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 0.00 2.34 2.57 0.00 40 A 7.94 3.99 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 41 A 8.58 3.95 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 42 A 8.53 3.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.85 3.94 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 44 L 8.04 4.06 0.00 1.80 1.89 0.94 0.75 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 45 T 8.11 4.11 4.43 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 0.00 0.00 0.00 1.22 0.00 0.00 46 T 7.70 4.07 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 1.31 0.00 0.00 47 S 7.54 4.64 0.00 4.15 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 48 Q 8.34 4.70 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 49 P 0.00 4.43 0.00 2.19 2.29 0.00 3.70 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 50 E 8.16 4.17 0.00 2.12 2.14 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 2.30 2.29 0.00 51 K 7.89 4.59 0.00 1.96 1.87 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.38 7.81 52 F 8.34 4.32 0.00 3.24 3.12 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 53 G 8.16 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 0.00 0.00 0.00 54 Q 7.97 3.94 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 55 A 8.00 3.97 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 56 L 7.83 3.66 0.00 1.17 1.49 0.80 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.24 3.62 1.95 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 1.45 0.67 0.87 0.00 0.00 58 L 7.72 4.10 0.00 1.88 1.71 0.95 0.62 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 59 Q 7.74 4.03 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.02 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 60 L 7.73 4.10 0.00 1.87 1.63 0.85 0.27 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 61 L 7.49 3.92 0.00 1.95 1.74 0.96 0.98 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 62 P 0.00 5.07 0.00 2.18 2.24 0.00 4.00 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.04 0.00 63 G 8.29 3.75 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 0.00 0.00 0.00 64 T 7.45 3.72 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 65 Q 8.06 4.17 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.78 2.68 0.00 66 G 8.30 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 0.00 0.00 0.00 67 L 7.10 4.03 0.00 1.56 1.59 0.75 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 7.65 4.37 0.00 3.28 3.04 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 0.00 0.00 0.00 69 G 8.26 4.32 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 0.00 70 F 8.48 4.17 0.00 3.25 3.30 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 71 V 8.34 3.74 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 1.42 0.00 0.00 1.22 0.00 0.00 72 I 8.50 3.82 2.18 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 2.04 0.84 0.99 0.00 0.00 73 A 8.47 3.98 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 74 F 8.36 3.93 0.00 2.73 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 75 L 7.95 3.98 0.00 1.92 1.84 0.92 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.90 3.62 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.71 0.30 0.00 0.00 77 F 8.04 4.00 0.00 2.96 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 78 I 7.22 3.63 1.68 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 1.58 0.57 0.45 0.00 0.00 79 N 7.30 4.80 0.00 2.87 2.97 0.00 0.00 6.98 7.47 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 80 L 7.24 4.09 0.00 1.39 1.31 0.59 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.25 3.83 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 0.00 0.00 0.00 82 S 8.28 4.35 0.00 3.96 3.95 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 83 D 7.83 4.59 0.00 2.64 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 84 M 7.74 4.19 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.64 0.00 85 S 8.45 4.65 0.00 4.09 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.24 3.69 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 0.96 0.00 0.00 1.12 0.00 0.00 87 V 7.77 3.48 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 1.00 0.00 0.00 0.89 0.00 0.00 88 Q 7.97 3.91 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 89 G 8.45 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 90 L 8.33 3.94 0.00 1.67 1.57 0.66 -0.19 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 91 N 8.29 4.26 0.00 2.64 2.61 0.00 0.00 7.00 8.93 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 92 F 8.18 4.26 0.00 3.43 3.04 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 0.00 0.00 0.00 93 L 8.06 4.21 0.00 1.81 1.95 1.08 1.09 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 94 G 8.58 3.75 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 0.00 0.00 0.00 95 A 8.34 4.10 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 96 S 8.23 4.29 0.00 4.28 4.35 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 97 L 7.90 4.17 0.00 1.94 1.98 0.98 1.28 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 98 P 0.00 4.36 0.00 2.33 2.19 0.00 3.84 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 99 I 8.20 3.86 2.06 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.46 1.13 0.00 0.00 100 A 8.06 3.97 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 0.00 101 F 8.41 4.54 0.00 3.29 3.33 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 0.00 102 T 8.44 4.26 4.58 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 1.40 0.00 0.00 103 G 8.37 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 0.00 104 L 8.01 4.01 0.00 2.02 1.88 0.85 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.52 4.22 0.00 3.32 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 0.00 106 S 8.91 4.38 0.00 4.21 4.35 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 0.00 107 G 8.35 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 I 7.64 3.71 2.03 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 1.43 0.99 0.94 0.00 0.00 109 A 8.37 4.06 1.47 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 0.00 0.00 110 Q 9.08 4.10 0.00 2.27 2.16 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 2.40 2.59 0.00 111 G 8.31 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 0.00 112 K 7.98 4.02 0.00 2.06 1.89 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.61 7.81 113 V 7.78 3.59 2.24 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 1.22 0.00 0.00 1.04 0.00 0.00 114 A 8.57 3.98 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 0.00 115 A 8.21 3.93 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 0.00 116 A 8.23 4.18 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 0.00 117 G 8.40 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 0.00 118 I 7.55 3.77 2.07 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 1.72 0.84 0.96 0.00 0.00 119 Q 8.18 4.05 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 120 I 7.64 3.70 2.09 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.97 0.98 0.00 0.00 121 L 7.81 3.86 0.00 1.77 1.92 0.93 0.92 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 0.00 122 A 7.99 4.14 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 0.00 123 K 7.89 4.36 0.00 1.77 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.62 7.81 124 K 8.67 4.71 0.00 1.74 1.80 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.52 7.81 125 P 0.00 4.49 0.00 2.22 2.42 0.00 3.72 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 126 E 8.17 4.12 0.00 2.02 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 2.02 2.19 0.00 127 H 8.55 4.81 0.00 3.28 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.84 4.06 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 0.00 129 T 7.97 3.80 4.20 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 1.16 0.00 0.00 130 K 8.12 3.74 0.00 1.95 1.59 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.42 7.81 131 G 8.06 3.78 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 0.00 0.00 0.00 132 I 7.67 3.74 1.99 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 1.50 0.70 0.89 0.00 0.00 133 I 7.83 3.65 1.70 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 1.44 0.57 0.78 0.00 0.00 134 F 7.78 4.46 0.00 3.21 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 0.00 135 A 8.20 4.22 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.48 4.01 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 0.00 137 M 8.20 4.06 0.00 2.18 2.40 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 3.01 0.00 138 V 7.96 3.67 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 1.20 0.00 0.00 1.04 0.00 0.00 139 E 8.35 4.01 0.00 2.17 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 2.36 2.48 0.00 140 T 7.19 3.62 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 141 Y 7.42 4.30 0.00 3.27 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 0.00 142 A 8.08 4.17 1.61 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 0.00 0.00 143 I 7.70 3.33 1.90 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 1.28 0.54 0.83 0.00 0.00 144 L 8.34 4.09 0.00 1.71 1.77 0.97 0.76 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 0.00 145 G 8.12 4.18 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 0.00 146 F 8.70 4.22 0.00 2.83 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 0.00 147 V 8.20 3.41 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 0.98 0.00 0.00 148 I 7.77 3.69 1.91 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 1.73 0.71 0.93 0.00 0.00 149 S 8.04 4.37 0.00 4.11 3.95 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 0.00 150 F 8.28 3.76 0.00 2.61 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 0.00 151 L 8.19 4.01 0.00 1.90 1.72 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.11 3.96 0.00 1.86 1.67 0.92 0.64 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 0.00 153 V 7.75 3.61 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 0.93 0.00 0.00 1.07 0.00 0.00 154 L 7.51 3.99 0.00 1.69 1.61 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.32 4.64 0.00 2.66 2.71 0.00 0.00 7.15 9.16 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 0.00 156 A 7.28 3.94 0.20 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