NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3283 8.2893 120.3435 55.1423 32.4973 175.8135 2 D 4.4946 8.0165 128.1925 52.5584 42.0936 173.5534 3 H 4.1098 9.6151 118.3891 59.6222 30.2625 178.3425 4 D 4.3542 8.1407 119.7368 58.0395 40.7823 179.4007 5 T 3.8240 8.0134 115.5670 66.6359 68.4729 176.4572 6 E 3.7946 8.0589 121.2421 58.9229 29.5845 179.0867 7 V 3.5030 7.8877 118.5313 66.0136 31.7014 177.9877 8 I 3.7860 7.7096 119.5037 64.5836 37.0039 178.6540 9 V 3.8906 8.0183 119.0283 66.0737 31.3177 178.2411 10 K 4.0794 8.2088 118.3377 59.3200 31.8376 178.9328 11 D 4.3263 8.3079 118.5754 57.1987 41.1235 177.9357 12 F 3.9620 8.4770 121.2212 61.5122 39.4866 176.8968 13 N 4.4652 8.4889 116.0822 56.4406 38.0829 177.6812 14 S 4.1733 7.8559 115.9171 61.5687 63.2295 176.4741 15 I 3.7836 7.8282 122.6205 64.1834 36.8217 178.2147 16 L 3.8280 7.9271 121.3239 58.0401 41.6470 178.6746 17 E 4.1388 7.9124 116.7489 58.2403 29.4660 177.8917 18 E 4.4669 7.7100 117.0300 55.6913 31.3235 176.9007 19 L 4.1032 7.4129 123.1579 54.1995 40.1439 176.2065 20 T 4.5098 7.6598 108.4589 61.2430 70.0849 174.6820 21 F 4.1440 6.9238 115.7457 55.6333 40.8336 174.6777 22 N 4.1388 7.6065 118.8543 52.7473 36.8302 172.9978 23 S 4.2297 6.9799 114.1931 56.4427 63.4003 173.5534 24 R 3.8870 8.4413 129.5185 58.8668 30.0661 177.2288 25 P 4.2390 0.0000 0.0000 65.8692 31.1237 178.5503 26 I 3.6655 7.4416 119.7313 64.1233 37.0656 178.3873 27 I 3.6338 7.7734 120.7172 64.6717 36.8408 178.6958 28 T 3.8890 8.2272 116.9618 66.8624 68.2777 176.9496 29 T 3.8275 7.9492 117.6618 66.6622 68.4760 176.7718 30 L 3.8265 8.0554 121.0712 57.8458 41.5173 179.7183 31 T 3.8527 7.8437 115.8142 66.6131 68.4195 176.9096 32 K 4.0528 8.3223 120.6111 59.3882 32.1121 179.4791 33 L 4.0989 8.1400 119.1893 57.6914 41.2904 179.4098 34 A 4.4092 7.8444 121.3671 54.6907 18.3530 179.0198 35 E 4.2034 8.1442 117.0050 59.0764 29.8367 178.1827 36 E 4.3913 8.3468 117.0521 57.1054 31.0275 176.1167 37 N 5.2425 8.2895 115.9522 52.0256 39.4035 175.8469 38 I 3.8381 7.8651 120.5866 64.2491 37.9251 179.2690 39 S 4.0692 8.1278 113.7958 60.6919 63.2158 174.6139 40 C 4.3987 8.0106 117.6370 59.2251 28.4618 174.9663 41 A 3.9545 7.8106 124.8477 55.6388 17.7378 180.2199 42 Q 2.9065 7.4149 117.0194 59.1867 28.9682 177.9469 43 Y 4.0587 6.9654 117.3393 60.8740 37.8418 178.2946 44 F 4.0905 7.5949 118.4300 60.3026 38.9954 177.7282 45 V 3.5170 7.6711 117.9148 66.1017 31.2898 177.7794 46 D 4.3194 7.9719 118.3680 57.2893 40.6465 178.7102 47 A 4.1029 8.3348 121.3090 55.3045 18.4745 179.7977 48 I 3.7943 8.1437 118.3085 64.7303 37.1892 178.6389 49 E 3.9877 8.4798 119.4795 59.3146 29.1670 179.3621 50 S 4.0690 8.3112 113.3821 61.1451 62.4561 176.0881 51 R 3.8689 8.0532 121.4087 59.6844 29.6601 178.4713 52 I 3.6326 7.4970 117.9876 64.3984 37.1073 177.7833 53 E 4.0481 8.0939 119.2981 59.0816 29.5880 178.5004 54 K 4.2373 8.1957 117.6635 57.5002 32.6027 177.0567 55 C 4.4924 7.5959 113.5793 56.9621 31.0642 173.6104 56 M 4.2532 8.3487 118.9559 54.8249 33.4745 175.4110 57 P 4.0886 0.0000 0.0000 65.9909 31.4508 178.5826 58 K 3.6701 7.9898 116.1971 59.9641 31.7933 179.3409 59 Q 4.1858 7.8075 117.3028 58.2528 28.6672 178.8500 60 K 3.9438 7.7069 120.1338 59.0372 31.9990 178.9830 61 L 3.7004 7.2074 120.5933 58.2867 41.9686 178.7330 62 Y 4.1557 6.7382 115.8561 60.8296 37.9532 178.0656 63 A 4.0440 7.7236 121.4698 55.1738 18.4434 179.7297 64 F 4.1267 8.0262 115.9444 60.8077 38.8765 177.5584 65 Y 4.6201 8.3076 116.4359 60.8762 37.6061 178.1566 66 A 4.0365 8.1156 122.0363 54.9964 18.5088 179.3799 67 L 3.7347 7.9029 118.5512 58.1670 42.1188 178.7207 68 D 4.6118 8.5684 118.0174 57.5179 41.3057 178.1058 69 S 4.1303 8.3784 113.7047 61.5605 62.4481 176.1278 70 I 3.6906 7.7927 122.4298 64.7322 36.7046 178.3147 71 C 4.3301 8.2979 117.5153 62.6471 27.7075 176.2274 72 K 4.0176 8.1325 119.3513 58.7030 31.8330 178.3019 73 N 4.6714 8.1456 115.2599 54.3557 39.3169 176.8195 74 V 4.0750 7.8781 118.4513 63.7866 32.8212 177.0438 75 G 4.0753 8.6001 106.8044 46.5463 0.0000 173.9775 76 S 4.2389 8.6145 118.7372 57.6789 64.6852 172.3807 77 P 4.3971 0.0000 0.0000 63.8411 31.7042 177.6422 78 Y 4.2657 7.7671 117.7052 61.6769 37.7248 178.2874 79 T 4.3353 7.9800 110.5668 64.9427 68.5061 176.7251 80 I 3.7447 7.6091 121.1872 64.2997 37.5415 177.4014 81 Y 4.3621 7.7999 117.4400 61.4077 37.6218 179.0428 82 F 4.4444 8.4522 118.3419 60.5630 38.7230 177.8652 83 S 4.1709 7.9430 114.4092 61.5384 62.6017 176.5338 84 R 4.1751 7.8172 119.9813 58.3924 30.0288 177.1838 85 N 5.0154 7.8710 112.5065 52.4123 40.3049 175.5037 86 L 3.9973 8.0051 122.1596 58.3906 41.9307 178.7651 87 F 4.1936 8.2489 119.5981 61.6375 39.4782 176.6711 88 N 3.9345 8.1803 115.5101 55.8798 38.4771 177.1005 89 L 3.9511 8.1802 121.9586 58.2850 42.2239 178.4490 90 Y 4.0497 8.5915 119.8549 60.5201 38.8223 177.6624 91 K 3.1950 8.0326 120.9071 59.3962 31.9482 178.6634 92 R 3.8293 7.5342 117.3506 59.5682 30.2275 178.3787 93 T 3.9765 7.8010 115.1938 66.7756 67.9976 175.7990 94 Y 3.8111 8.1269 121.7996 60.8565 38.5931 178.0830 95 L 4.4386 8.1102 117.0690 56.1806 41.7915 177.5583 96 L 4.6735 7.6208 117.4116 54.1558 42.4364 176.1031 97 V 4.4063 7.0374 110.8802 58.5600 35.1100 175.4338 98 D 4.5486 8.0665 121.3850 53.2690 41.2764 177.0498 99 N 4.2826 8.4393 116.5940 56.3654 38.2425 177.9434 100 T 3.9017 7.9005 117.1163 66.8328 68.6995 176.8248 101 T 3.7783 8.1467 117.6578 66.4843 68.3577 176.9326 102 R 3.6067 7.5919 120.1851 59.2806 29.9588 179.1756 103 T 3.9510 7.6489 109.7508 64.7395 68.7229 176.8631 104 K 4.0451 7.8249 121.2753 59.1634 32.1239 179.3429 105 L 3.9094 7.9910 119.4084 57.6497 41.4368 179.6608 106 I 3.9024 7.9181 119.9048 64.5842 36.9627 178.2913 107 N 4.4004 8.4232 117.4369 56.2655 38.0696 177.2385 108 M 3.8324 7.7346 119.1393 58.3978 32.6250 177.6788 109 F 3.5673 7.7082 120.5433 61.0084 39.5756 177.0720 110 K 3.6732 7.9247 118.0335 59.5195 32.0382 179.0110 111 L 4.1840 7.5619 118.0952 56.5121 41.5341 178.9938 112 W 4.6488 7.9825 119.0132 58.8797 28.7897 178.1727 113 L 4.0849 7.4107 118.1683 57.1162 41.6696 177.2682 114 N 4.9965 7.4743 114.8373 51.4624 39.7729 171.1972 115 P 4.3646 0.0000 0.0000 63.5552 32.5657 177.1733 116 N 4.0925 9.3892 118.2376 54.2571 36.2692 173.2250 117 D 4.5068 8.1583 112.9276 55.4963 39.7268 174.2475 118 T 4.0713 7.8673 108.1349 61.8277 69.6090 175.9466 119 G 3.9253 8.9506 109.7865 45.3401 0.0000 172.8542 120 L 4.7416 7.4566 118.6018 51.6013 44.7524 174.9376 121 P 4.4599 0.0000 0.0000 62.6372 31.8685 176.4171 122 L 3.7801 8.7604 125.0169 57.0550 42.0873 176.4074 123 F 4.9578 7.4865 114.4922 54.2247 42.5637 174.4923 124 E 4.0384 8.6443 121.5236 57.1678 30.4528 177.6908 125 G 3.8753 9.0557 113.0471 48.0843 0.0000 175.7238 126 S 4.1070 8.0556 115.5239 61.3583 63.2532 176.1557 127 A 4.0148 8.0385 124.3801 54.8855 18.1572 179.4801 128 L 4.3459 7.8972 117.4651 58.0241 41.6689 179.6819 129 E 4.0807 8.2738 118.4492 59.3362 29.3989 179.4936 130 K 3.8483 8.0653 118.5990 59.3951 31.9052 179.5428 131 I 3.8874 7.8932 120.2319 64.2904 36.9594 178.0797 132 E 3.7136 8.1789 120.2392 59.3587 29.5591 178.9532 133 Q 4.0263 8.1856 118.1930 58.7225 28.5887 178.4753 134 F 4.2421 8.2248 121.8903 61.3215 39.5057 177.2640 135 L 3.4548 8.0396 118.8044 57.5224 41.2931 179.6297 136 I 3.9153 7.5582 121.1661 63.7883 36.9015 178.4449 137 K 4.1357 7.7621 116.7729 57.9011 31.8446 178.0929 138 A 4.3829 6.8143 119.9772 50.5239 19.5740 176.4321 139 S 3.5944 7.7962 113.1440 60.9646 60.8535 172.8781 140 A 4.6586 8.4603 120.3463 51.7532 20.5755 176.8333 141 A 4.6510 7.3790 117.4764 49.9815 22.3488 175.2960 142 A 4.0826 8.4313 123.9615 51.3959 19.0811 177.4158 143 L 3.8660 8.5514 122.7524 55.6023 41.5465 177.2592 144 E 4.1397 8.8092 122.4613 56.8566 29.6410 174.9399 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 8.29 4.33 0.00 1.86 1.90 0.00 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.33 0.00 2 D 8.02 4.49 0.00 3.03 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 3 H 9.62 4.11 0.00 3.25 3.30 0.00 5.89 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.14 4.35 0.00 2.73 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 5 T 8.01 3.82 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 1.04 0.00 0.00 6 E 8.06 3.79 0.00 2.06 2.06 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 2.25 2.24 0.00 7 V 7.89 3.50 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 0.97 0.00 0.00 0.76 0.00 0.00 8 I 7.71 3.79 1.94 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 1.49 0.92 1.18 0.00 0.00 9 V 8.02 3.89 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 1.03 0.00 0.00 0.80 0.00 0.00 10 K 8.21 4.08 0.00 2.10 1.86 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.57 7.81 11 D 8.31 4.33 0.00 2.90 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 12 F 8.48 3.96 0.00 3.33 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 13 N 8.49 4.47 0.00 3.05 2.92 0.00 0.00 7.07 7.23 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 14 S 7.86 4.17 0.00 3.98 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.83 3.78 1.73 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.97 0.71 0.00 0.00 16 L 7.93 3.83 0.00 1.64 1.77 0.84 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.91 4.14 0.00 2.19 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 2.57 2.50 0.00 18 E 7.71 4.47 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 19 L 7.41 4.10 0.00 1.49 1.66 0.75 1.01 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 20 T 7.66 4.51 4.36 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 1.33 0.00 0.00 21 F 6.92 4.14 0.00 2.88 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 22 N 7.61 4.14 0.00 2.53 2.76 0.00 0.00 6.81 7.63 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 23 S 6.98 4.23 0.00 2.72 3.16 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 24 R 8.44 3.89 0.00 1.86 1.95 0.00 3.34 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 1.73 1.63 0.00 25 P 0.00 4.24 0.00 2.24 2.30 0.00 3.58 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 26 I 7.44 3.67 1.67 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 1.42 0.51 0.74 0.00 0.00 27 I 7.77 3.63 1.90 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 1.52 0.90 0.93 0.00 0.00 28 T 8.23 3.89 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 1.20 0.00 0.00 29 T 7.95 3.83 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 1.15 0.00 0.00 30 L 8.06 3.83 0.00 1.66 1.46 0.61 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.84 3.85 4.41 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 1.21 0.00 0.00 32 K 8.32 4.05 0.00 1.95 1.88 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.61 7.81 33 L 8.14 4.10 0.00 1.91 1.75 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.84 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 35 E 8.14 4.20 0.00 2.07 2.25 0.00 0.00 0.00 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 2.42 0.00 36 E 8.35 4.39 0.00 2.17 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 0.00 2.37 2.46 0.00 37 N 8.29 5.24 0.00 3.25 2.85 0.00 0.00 6.82 7.08 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 38 I 7.87 3.84 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.75 0.86 0.00 0.00 39 S 8.13 4.07 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.01 4.40 0.00 1.99 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 0.00 0.00 0.00 0.00 41 A 7.81 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 7.41 2.91 0.00 1.54 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.86 0.00 0.00 0.00 0.00 0.00 1.82 1.63 0.00 43 Y 6.97 4.06 0.00 2.93 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 7.59 4.09 0.00 3.08 2.42 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 45 V 7.67 3.52 1.67 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 0.52 0.00 0.00 0.44 0.00 0.00 46 D 7.97 4.32 0.00 2.88 2.71 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 47 A 8.33 4.10 1.66 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 48 I 8.14 3.79 2.34 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.42 0.95 0.00 0.00 49 E 8.48 3.99 0.00 2.05 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 2.48 2.71 0.00 50 S 8.31 4.07 0.00 3.95 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.05 3.87 0.00 2.09 2.18 0.00 3.21 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 52 I 7.50 3.63 1.88 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.62 0.76 0.00 0.00 53 E 8.09 4.05 0.00 1.94 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 0.00 2.31 2.34 0.00 54 K 8.20 4.24 0.00 1.88 1.85 0.00 1.64 0.00 0.00 1.90 0.00 0.00 3.16 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.48 7.81 55 C 7.60 4.49 0.00 3.09 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 56 M 8.35 4.25 0.00 2.07 2.03 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 2.70 2.63 0.00 57 P 0.00 4.09 0.00 2.09 2.00 0.00 3.59 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.31 0.00 58 K 7.99 3.67 0.00 1.82 1.91 0.00 1.70 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.53 7.81 59 Q 7.81 4.19 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.67 2.50 0.00 60 K 7.71 3.94 0.00 1.88 1.84 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.61 7.81 61 L 7.21 3.70 0.00 1.25 0.89 0.53 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 6.74 4.16 0.00 3.00 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 63 A 7.72 4.04 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 64 F 8.03 4.13 0.00 3.31 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 65 Y 8.31 4.62 0.00 3.25 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.12 4.04 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 67 L 7.90 3.73 0.00 1.51 1.91 0.31 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.57 4.61 0.00 3.42 3.07 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 69 S 8.38 4.13 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.79 3.69 1.90 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 1.41 0.84 0.50 0.00 0.00 71 C 8.30 4.33 0.00 3.22 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.13 4.02 0.00 1.78 1.88 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.50 1.63 7.81 73 N 8.15 4.67 0.00 2.81 2.88 0.00 0.00 6.90 7.13 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 74 V 7.88 4.08 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 1.08 0.00 0.00 0.94 0.00 0.00 75 G 8.60 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.61 4.24 0.00 3.86 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 77 P 0.00 4.40 0.00 1.89 2.03 0.00 3.55 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.79 0.00 78 Y 7.77 4.27 0.00 3.45 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.98 4.34 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 1.13 0.00 0.00 80 I 7.61 3.74 1.76 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 1.59 0.49 0.76 0.00 0.00 81 Y 7.80 4.36 0.00 2.78 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.45 4.44 0.00 3.39 2.96 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 0.00 0.00 0.00 83 S 7.94 4.17 0.00 4.09 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 84 R 7.82 4.18 0.00 1.93 2.03 0.00 3.20 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 85 N 7.87 5.02 0.00 2.93 2.82 0.00 0.00 6.74 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 86 L 8.01 4.00 0.00 1.77 1.64 0.40 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 87 F 8.25 4.19 0.00 3.16 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.18 3.93 0.00 2.78 2.79 0.00 0.00 6.65 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 89 L 8.18 3.95 0.00 1.93 2.03 0.88 0.83 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 90 Y 8.59 4.05 0.00 3.26 3.03 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 0.00 0.00 0.00 91 K 8.03 3.19 0.00 0.79 1.00 0.00 1.02 0.00 0.00 1.04 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.89 0.21 7.81 92 R 7.53 3.83 0.00 1.76 1.95 0.00 3.29 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 93 T 7.80 3.98 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 1.20 0.00 0.00 94 Y 8.13 3.81 0.00 2.87 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 95 L 8.11 4.44 0.00 1.72 1.78 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.62 4.67 0.00 1.57 1.61 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.04 4.41 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 0.69 0.00 0.00 0.73 0.00 0.00 98 D 8.07 4.55 0.00 2.80 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 99 N 8.44 4.28 0.00 2.70 2.85 0.00 0.00 6.82 7.05 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 0.00 100 T 7.90 3.90 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 1.20 0.00 0.00 101 T 8.15 3.78 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 0.98 0.00 0.00 102 R 7.59 3.61 0.00 1.77 1.67 0.00 2.97 0.00 0.00 2.72 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.22 0.00 103 T 7.65 3.95 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 104 K 7.82 4.05 0.00 1.93 2.02 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.53 1.62 7.81 105 L 7.99 3.91 0.00 1.85 1.50 0.56 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.92 3.90 2.12 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.05 1.00 0.00 0.00 107 N 8.42 4.40 0.00 2.74 2.85 0.00 0.00 6.69 7.17 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 0.00 108 M 7.73 3.83 0.00 1.91 2.14 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 1.62 0.00 109 F 7.71 3.57 0.00 2.84 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 0.00 110 K 7.92 3.67 0.00 1.99 1.80 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.75 7.81 111 L 7.56 4.18 0.00 1.62 1.73 0.88 0.89 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 0.00 112 W 7.98 4.65 0.00 3.49 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 0.00 113 L 7.41 4.08 0.00 1.72 1.65 0.45 0.76 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 0.00 114 N 7.47 5.00 0.00 2.65 2.65 0.00 0.00 7.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.36 0.00 2.25 2.20 0.00 4.03 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 116 N 9.39 4.09 0.00 2.84 2.92 0.00 0.00 7.10 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 0.00 117 D 8.16 4.51 0.00 2.73 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 0.00 118 T 7.87 4.07 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 0.00 119 G 8.95 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 0.00 0.00 0.00 120 L 7.46 4.74 0.00 1.52 1.52 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.46 0.00 2.05 2.02 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 122 L 8.76 3.78 0.00 1.37 1.20 0.71 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.49 4.96 0.00 2.97 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 0.00 124 E 8.64 4.04 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 125 G 9.06 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 0.00 126 S 8.06 4.11 0.00 4.04 4.13 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 0.00 0.00 0.00 0.00 127 A 8.04 4.01 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 0.00 128 L 7.90 4.35 0.00 1.95 2.00 1.12 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.27 4.08 0.00 2.20 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 2.37 2.69 0.00 130 K 8.07 3.85 0.00 1.66 0.81 0.00 1.17 0.00 0.00 0.76 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.12 1.43 7.81 131 I 7.89 3.89 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.96 -0.21 0.00 0.00 132 E 8.18 3.71 0.00 2.28 2.19 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 2.35 2.38 0.00 133 Q 8.19 4.03 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 134 F 8.22 4.24 0.00 3.36 3.32 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 0.00 135 L 8.04 3.45 0.00 1.68 1.52 0.51 0.89 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 0.00 136 I 7.56 3.92 1.96 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 1.65 1.07 0.88 0.00 0.00 137 K 7.76 4.14 0.00 1.79 1.81 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.58 7.81 138 A 6.81 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 S 7.80 3.59 0.00 4.01 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.46 4.66 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 0.00 141 A 7.38 4.65 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 0.00 142 A 8.43 4.08 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 0.00 143 L 8.55 3.87 0.00 1.62 1.67 0.91 0.98 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 0.00 144 E 8.81 4.14 0.00 2.08 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 2.23 2.28 0.00