NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4825 8.3049 120.3308 55.5044 33.1523 174.3692 2 M 4.4987 8.5775 123.6105 52.8868 34.4872 170.1936 3 V 4.3557 8.3020 122.0665 60.8091 34.2351 174.1559 4 W 4.6164 8.9590 135.0000 57.5409 31.1198 175.3196 5 T 4.1802 8.2463 124.1674 61.4209 66.9962 172.7264 6 P 4.4674 0.0000 0.0000 63.6719 32.1506 175.9010 7 V 3.9869 7.5729 120.2014 62.8608 32.5052 175.5244 8 N 4.2778 8.6400 125.3548 54.8991 35.9253 173.6974 9 N 4.7941 7.5002 108.2590 52.9510 40.3056 174.2175 10 K 4.0746 8.2419 115.7330 56.4110 32.7716 176.5816 11 M 4.7939 7.8157 120.3276 53.7612 35.6579 175.1685 12 F 4.8467 7.8919 116.9642 57.1023 40.9753 176.2126 13 E 3.5907 8.2345 121.4737 56.7995 27.5376 174.8757 14 T 3.8160 8.3483 120.8371 66.6905 68.8432 174.1805 15 F 4.5198 8.9456 124.3517 57.5270 36.7073 176.2543 16 S 4.3663 8.2189 114.6554 60.4640 62.2516 173.9668 17 Y 4.3833 8.2660 115.6412 58.4133 38.1383 175.0398 18 L 4.6763 7.6705 120.4595 52.1341 43.6629 174.4664 19 P 4.4397 0.0000 0.0000 61.8820 31.7657 174.9975 20 P 4.2987 0.0000 0.0000 62.8866 31.7649 176.3694 21 L 4.0473 8.3200 122.5455 54.5270 42.1984 177.9657 22 T 4.1779 8.2203 114.1854 61.1977 70.9545 175.0451 23 D 4.3602 8.6300 121.3195 57.8037 40.7741 178.9279 24 E 3.9193 8.1015 119.0218 59.3090 29.7334 178.7572 25 Q 3.8867 7.9114 117.9810 58.8690 28.7832 178.6886 26 I 3.7169 8.0213 120.8369 64.4545 37.2042 178.2570 27 A 4.0594 8.2734 121.4355 55.2517 18.1441 179.5587 28 A 3.9909 8.2327 119.2628 55.3676 18.4234 179.9305 29 Q 4.0897 8.1303 116.6315 59.1229 28.8065 179.0718 30 V 3.7699 8.1402 119.3562 66.1194 31.5758 177.7856 31 D 4.4145 8.4066 118.7527 57.4788 40.5510 178.1126 32 Y 4.1500 8.1780 120.0057 60.7284 38.9083 178.0097 33 I 3.9023 8.0358 120.7383 64.6686 37.3038 178.5782 34 V 3.5334 7.8591 118.5094 65.9934 31.1859 177.8983 35 A 3.9310 8.1876 119.5705 54.5005 18.2268 178.3013 36 N 4.0937 6.9707 112.0888 51.9774 38.6998 175.6868 37 G 3.8083 7.2479 108.1872 46.0524 0.0000 174.1136 38 W 4.9614 7.3982 118.2980 56.0817 30.6514 176.1888 39 I 4.3656 9.0297 123.4356 59.7102 37.8898 173.9966 40 P 4.8851 0.0000 0.0000 62.8477 32.7771 175.1309 41 C 5.0117 9.1116 122.2668 58.2498 35.5835 172.4468 42 L 5.3604 8.7457 123.5855 53.2829 44.4560 175.2073 43 E 5.6376 9.2074 120.7307 55.0767 34.3970 174.4335 44 F 5.5729 9.2368 116.0576 56.0457 41.9302 172.9477 45 A 4.3249 8.2573 119.8351 50.7971 22.1301 177.5792 46 E 3.8012 8.7529 120.2261 59.0690 29.8131 177.4303 47 H 5.1437 7.6363 112.5920 53.7999 32.3949 172.9353 48 S 4.6241 8.4587 115.6776 56.6547 63.8514 172.9269 49 N 5.0928 8.5155 125.2996 50.3636 41.2319 173.9754 50 P 4.1289 0.0000 0.0000 65.9525 31.2383 177.5353 51 E 3.7060 7.9764 116.6492 57.9159 29.5978 176.3340 52 E 4.4152 7.6460 118.6870 54.7093 29.4046 176.1785 53 F 4.0451 8.8697 123.2780 60.3112 39.2340 175.6768 54 Y 4.7370 7.8587 116.4776 56.6088 39.0710 175.0806 55 W 5.0562 8.6011 123.3815 55.4010 32.4696 174.9305 56 T 4.2485 8.1110 117.2723 62.9283 69.2365 174.6404 57 M 4.5475 8.5464 126.5234 55.2370 33.2069 175.3021 58 W 4.7878 9.4946 135.0000 56.2704 31.2156 176.9540 59 K 3.4881 8.5872 129.2927 57.5486 30.4945 178.4168 60 L 4.9423 8.2987 124.8247 52.6925 45.1442 174.0446 61 P 4.3444 0.0000 0.0000 63.3238 32.3504 177.5231 62 M 4.2995 8.6163 123.3868 53.5256 30.5212 176.1472 63 F 4.4821 7.2377 117.5751 59.2632 39.9599 176.7143 64 G 3.9992 9.1630 112.8553 45.5249 0.0000 172.9254 65 C 4.3109 8.0243 120.9719 59.5286 31.7907 173.1817 66 R 4.5276 8.6514 124.1530 55.5848 31.2412 174.6479 67 D 4.8142 7.8101 118.9754 51.4259 42.0723 174.4396 68 P 4.3380 0.0000 0.0000 66.3929 31.0742 178.1325 69 M 4.0847 8.3223 118.3520 58.1105 31.8590 178.4150 70 Q 3.9974 8.1482 119.3744 59.1537 29.2437 178.5891 71 V 3.6225 7.6661 118.7268 66.0717 31.7945 177.8025 72 L 4.0476 8.1092 118.7526 57.9361 41.3826 179.8047 73 R 3.9866 8.1917 118.0402 59.2473 29.9961 178.9766 74 E 4.1034 8.2810 118.4131 59.2137 29.3653 179.2018 75 I 3.5156 7.7563 120.0363 64.4473 37.2306 178.4838 76 V 3.4679 7.6407 118.3410 65.9349 31.3615 177.9764 77 A 3.9342 8.0091 120.5203 55.1151 18.2915 179.0717 78 C 2.0000 7.7483 117.6590 62.1089 31.2970 176.0694 79 T 3.7876 7.6801 111.2147 64.2393 68.0636 176.5332 80 K 3.8183 7.6926 121.9208 59.3415 32.3124 178.4200 81 A 3.9681 7.6404 119.9456 53.4970 19.6634 177.6128 82 F 4.6241 7.6945 115.8392 54.9652 39.1050 173.8371 83 P 4.5229 0.0000 0.0000 63.8620 31.8572 177.7377 84 D 4.6319 7.9685 116.8268 53.9992 41.6787 175.8075 85 A 4.5572 7.3435 121.4419 50.8282 20.5392 177.0303 86 Y 4.2555 8.4820 117.8701 58.0392 39.2983 175.4939 87 V 5.2495 9.0177 123.1673 61.2310 35.2946 174.1696 88 R 5.0955 9.5692 124.0902 54.2838 33.0512 173.9646 89 L 4.8249 8.1060 123.3753 54.0345 43.7522 175.7643 90 V 4.7549 8.7258 118.4367 59.5564 36.4892 174.1154 91 A 4.9388 8.0543 121.3097 50.6017 22.8789 175.2574 92 F 5.2853 9.1246 120.0020 55.7109 42.6989 174.1411 93 D 5.4101 8.8194 122.5790 52.6991 42.3834 176.5770 94 N 4.7254 9.1583 123.2385 54.3417 38.3741 176.3943 95 Q 4.1740 8.6903 118.7281 58.8087 28.9837 177.3535 96 K 4.0929 8.3079 113.9450 56.3761 33.1295 176.3185 97 Q 3.4283 8.0141 118.7269 55.8983 27.0745 172.6788 98 V 4.4921 7.7692 117.1449 60.0466 35.0223 174.1215 99 Q 4.4642 8.7685 123.3933 56.5894 29.3178 175.5381 100 I 4.2814 8.3241 124.6763 61.0980 40.0089 174.5744 101 M 4.7287 6.9812 117.5527 54.3994 34.6918 173.8231 102 G 4.2447 8.3570 103.5405 45.8941 0.0000 172.6010 103 F 5.1187 7.7466 117.8719 55.1998 41.7658 173.4714 104 L 4.7116 8.8646 120.6222 55.5122 41.5883 177.3917 105 V 4.5344 9.2312 115.6188 61.4094 33.7581 175.5629 106 Q 4.6115 7.8504 120.8007 54.7851 32.4039 173.1505 107 R 4.5041 8.1577 122.7777 53.1047 34.1000 173.6966 108 P 4.2511 0.0000 0.0000 62.7464 31.8912 178.1437 109 K 4.1566 8.4414 121.1777 59.3903 32.2592 178.4715 110 T 4.0034 7.7651 106.5608 62.6277 69.0914 174.2442 111 A 4.2940 7.4675 125.8903 52.2287 18.7247 177.3869 112 R 4.3952 8.4935 119.3527 55.8667 30.3403 175.5493 113 D 4.7708 8.2954 116.3775 53.7946 39.9781 175.3218 114 F 5.4579 7.2925 113.0763 54.1890 41.0457 173.8829 115 Q 4.5461 8.4515 120.2649 53.1146 30.7950 174.2228 116 P 4.4355 0.0000 0.0000 62.6238 31.9516 176.8555 117 A 3.9722 8.9255 123.3768 55.6581 18.1571 179.0466 118 N 4.7769 8.0973 109.0405 53.4831 37.7516 175.4245 119 K 4.4522 7.8538 117.2238 56.4646 32.9406 177.3531 120 R 3.6216 7.4913 119.3212 57.7040 30.1880 176.5698 121 S 5.0942 7.4915 110.3810 56.3395 66.1375 174.2459 122 V 3.9968 8.5519 114.5765 61.7255 32.0483 175.6575 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 8.30 4.48 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 2 M 8.58 4.50 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 3 V 8.30 4.36 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 1.11 0.00 0.00 0.97 0.00 0.00 4 W 8.96 4.62 0.00 3.47 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 5 T 8.25 4.18 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 1.12 0.00 0.00 6 P 0.00 4.47 0.00 2.24 2.19 0.00 3.79 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 1.98 1.97 0.00 7 V 7.57 3.99 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 0.77 0.00 0.00 0.91 0.00 0.00 8 N 8.64 4.28 0.00 2.86 2.84 0.00 0.00 6.52 6.92 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 9 N 7.50 4.79 0.00 2.69 2.68 0.00 0.00 7.31 6.68 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 10 K 8.24 4.07 0.00 1.85 1.40 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.82 7.81 11 M 7.82 4.79 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 12 F 7.89 4.85 0.00 2.96 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 13 E 8.23 3.59 0.00 2.14 1.81 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 2.23 2.17 0.00 14 T 8.35 3.82 4.16 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 0.22 0.00 0.00 15 F 8.95 4.52 0.00 3.27 3.20 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 16 S 8.22 4.37 0.00 4.03 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 17 Y 8.27 4.38 0.00 3.04 3.13 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 18 L 7.67 4.68 0.00 1.82 1.61 0.87 0.94 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 19 P 0.00 4.44 0.00 2.03 2.00 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 20 P 0.00 4.30 0.00 2.04 2.02 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 21 L 8.32 4.05 0.00 1.61 1.50 0.51 0.49 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 22 T 8.22 4.18 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 23 D 8.63 4.36 0.00 2.70 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.10 3.92 0.00 2.02 1.92 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 2.36 2.39 0.00 25 Q 7.91 3.89 0.00 2.30 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 26 I 8.02 3.72 2.07 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 1.06 1.09 0.00 0.00 27 A 8.27 4.06 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 28 A 8.23 3.99 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 29 Q 8.13 4.09 0.00 2.54 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.36 1.88 0.00 30 V 8.14 3.77 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 1.10 0.00 0.00 1.11 0.00 0.00 31 D 8.41 4.41 0.00 2.99 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 32 Y 8.18 4.15 0.00 3.20 3.31 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 33 I 8.04 3.90 2.17 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 1.72 1.20 1.07 0.00 0.00 34 V 7.86 3.53 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 1.02 0.00 0.00 1.01 0.00 0.00 35 A 8.19 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 6.97 4.09 0.00 1.44 1.42 0.00 0.00 7.01 9.00 0.00 0.00 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 G 7.25 3.81 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 0.00 0.00 0.00 38 W 7.40 4.96 0.00 3.37 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 39 I 9.03 4.37 2.13 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.81 0.80 0.00 0.00 40 P 0.00 4.89 0.00 2.09 1.99 0.00 3.77 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 41 C 9.11 5.01 0.00 3.01 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.75 5.36 0.00 1.88 1.64 0.87 0.84 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 43 E 9.21 5.64 0.00 2.13 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 2.39 2.34 0.00 44 F 9.24 5.57 0.00 3.07 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 A 8.26 4.32 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.75 3.80 0.00 1.78 1.57 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 0.00 2.27 2.30 0.00 47 H 7.64 5.14 0.00 3.07 3.20 0.00 5.83 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.46 4.62 0.00 3.11 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 49 N 8.52 5.09 0.00 2.76 2.83 0.00 0.00 6.80 8.03 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 50 P 0.00 4.13 0.00 2.06 2.10 0.00 3.72 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 1.93 1.94 0.00 51 E 7.98 3.71 0.00 1.90 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 2.28 2.32 0.00 52 E 7.65 4.42 0.00 2.16 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 2.33 2.46 0.00 53 F 8.87 4.05 0.00 2.63 2.55 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 54 Y 7.86 4.74 0.00 3.10 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 55 W 8.60 5.06 0.00 3.11 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 56 T 8.11 4.25 2.92 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 0.97 0.00 0.00 57 M 8.55 4.55 0.00 2.09 2.05 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 2.72 2.79 0.00 58 W 9.49 4.79 0.00 3.71 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 59 K 8.59 3.49 0.00 1.72 0.76 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.68 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.77 0.21 7.81 60 L 8.30 4.94 0.00 1.61 1.59 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.34 0.00 0.67 1.86 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.17 0.00 62 M 8.62 4.30 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 63 F 7.24 4.48 0.00 3.12 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 64 G 9.16 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 0.00 0.00 0.00 65 C 8.02 4.31 0.00 3.02 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 66 R 8.65 4.53 0.00 1.80 1.87 0.00 3.20 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 67 D 7.81 4.81 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 68 P 0.00 4.34 0.00 2.33 2.34 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 69 M 8.32 4.08 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 70 Q 8.15 4.00 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 71 V 7.67 3.62 2.26 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 1.05 0.00 0.00 0.97 0.00 0.00 72 L 8.11 4.05 0.00 1.90 1.72 0.95 0.87 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 73 R 8.19 3.99 0.00 2.11 2.01 0.00 3.15 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 74 E 8.28 4.10 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.67 0.00 75 I 7.76 3.52 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.74 0.87 0.00 0.00 76 V 7.64 3.47 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.96 0.00 0.00 77 A 8.01 3.93 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 78 C 7.75 2.00 0.00 1.23 2.26 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 79 T 7.68 3.79 4.34 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 1.14 0.00 0.00 80 K 7.69 3.82 0.00 1.81 1.95 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.39 7.81 81 A 7.64 3.97 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 82 F 7.69 4.62 0.00 2.83 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 4.52 0.00 2.12 2.10 0.00 3.24 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.86 0.00 84 D 7.97 4.63 0.00 2.66 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 85 A 7.34 4.56 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 86 Y 8.48 4.26 0.00 2.44 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 87 V 9.02 5.25 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 1.03 0.00 0.00 0.91 0.00 0.00 88 R 9.57 5.10 0.00 1.86 2.03 0.00 2.41 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.46 0.00 89 L 8.11 4.82 0.00 1.54 0.78 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.73 4.75 1.72 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 0.46 0.00 0.00 0.43 0.00 0.00 91 A 8.05 4.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 F 9.12 5.29 0.00 2.98 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 93 D 8.82 5.41 0.00 2.41 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 94 N 9.16 4.73 0.00 2.93 3.05 0.00 0.00 6.33 7.39 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 95 Q 8.69 4.17 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 96 K 8.31 4.09 0.00 1.75 1.86 0.00 1.93 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.44 7.81 97 Q 8.01 3.43 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 98 V 7.77 4.49 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 0.56 0.00 0.00 0.92 0.00 0.00 99 Q 8.77 4.46 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.87 0.00 0.00 0.00 0.00 0.00 2.23 2.02 0.00 100 I 8.32 4.28 1.28 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.42 -0.47 0.00 0.00 101 M 6.98 4.73 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.64 0.00 102 G 8.36 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 0.00 0.00 0.00 0.00 103 F 7.75 5.12 0.00 3.27 3.26 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 0.00 104 L 8.86 4.71 0.00 1.68 1.75 1.28 0.70 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 0.00 105 V 9.23 4.53 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 0.70 0.00 0.00 0.95 0.00 0.00 106 Q 7.85 4.61 0.00 2.04 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 107 R 8.16 4.50 0.00 1.45 1.31 0.00 2.60 0.00 0.00 2.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.37 0.00 108 P 0.00 4.25 0.00 2.00 1.88 0.00 2.50 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 109 K 8.44 4.16 0.00 1.72 1.85 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.33 7.81 110 T 7.77 4.00 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 1.20 0.00 0.00 111 A 7.47 4.29 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 8.49 4.40 0.00 1.76 1.85 0.00 3.36 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 113 D 8.30 4.77 0.00 2.99 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 0.00 114 F 7.29 5.46 0.00 3.33 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 0.00 115 Q 8.45 4.55 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.22 0.00 116 P 0.00 4.44 0.00 2.21 2.21 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.93 0.00 117 A 8.93 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 N 8.10 4.78 0.00 2.84 2.94 0.00 0.00 5.85 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 0.00 119 K 7.85 4.45 0.00 1.81 1.74 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.32 1.46 7.81 120 R 7.49 3.62 0.00 1.57 0.66 0.00 3.05 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.51 0.00 121 S 7.49 5.09 0.00 4.00 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 0.00 122 V 8.55 4.00 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 0.63 0.00 0.00 0.98 0.00 0.00