NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.7055 8.3501 109.7343 45.9581 0.0000 173.4996 3 A 3.3090 9.0540 132.2553 52.7318 15.5669 175.8542 4 R 3.5610 8.1078 123.5830 56.0331 28.9033 176.1766 5 A 4.6258 8.0445 129.7831 50.7488 17.3222 177.3411 6 S 4.7708 7.3307 117.3789 56.3196 65.7707 175.6415 7 V 3.6598 8.3830 124.6294 65.3523 31.6544 175.8890 8 L 4.8580 7.3538 117.9868 52.5958 44.1062 177.9131 9 S 4.5827 8.8784 118.6298 57.8907 66.0232 174.4714 10 G 3.6728 8.2167 107.6441 48.5057 0.0000 176.0260 11 G 3.7479 8.0370 108.2516 47.0934 0.0000 175.3360 12 E 4.0426 8.0915 120.2888 58.9973 29.6375 178.5680 13 L 4.0576 8.2994 120.8121 58.6334 41.8773 178.4204 14 D 4.4093 7.7066 116.4370 57.7090 41.0378 178.6267 15 K 4.0479 7.8984 117.6443 59.4159 31.0627 178.9579 16 W 4.2313 8.7929 128.7756 60.8251 30.3976 177.8700 17 E 4.9783 8.2144 117.8676 58.5371 28.8424 178.7426 18 K 4.0042 8.0598 120.3349 58.1666 32.9324 176.5295 19 I 3.7901 6.6951 116.9386 62.1527 38.7223 174.6516 20 R 4.7221 8.3196 122.4879 54.0910 33.4134 176.7428 21 L 3.6831 7.6931 120.5083 56.4975 41.9298 178.0909 22 R 4.6919 7.5080 115.2101 53.2576 33.4789 173.9578 23 P 4.8500 0.0000 0.0000 64.9746 31.5080 177.9374 24 G 4.0280 7.9662 106.2439 44.8316 0.0000 172.9500 25 G 4.0697 7.8269 109.2397 43.5880 0.0000 173.9164 26 K 4.3414 8.2745 115.5720 55.6021 33.8692 176.1853 27 K 4.2202 7.7203 121.9604 55.6225 33.0609 176.3677 28 Q 4.6816 8.4111 126.8998 54.9646 30.8339 174.9197 29 Y 4.2451 8.5815 118.0530 57.8740 39.3512 175.6780 30 K 5.1686 8.9322 120.5695 53.7202 36.9534 177.0986 31 L 4.0919 8.9107 119.4457 58.2114 41.2623 179.7686 32 K 3.9477 8.2765 117.8092 60.3192 31.8130 178.6624 33 H 4.4407 7.8971 113.8987 59.5576 28.7900 177.2801 34 I 3.9565 8.3694 122.3411 63.4541 36.8921 178.0491 35 V 3.6074 7.8796 118.6198 66.1877 31.2031 177.9932 36 W 4.1512 8.5992 127.6631 60.7032 30.5132 177.5974 37 A 3.8825 8.4995 120.2865 55.3621 17.8783 179.8772 38 S 3.9932 7.9010 112.9530 61.9005 62.8896 176.6600 39 R 3.8136 7.7747 119.7242 59.0428 29.8286 177.5481 40 E 3.7810 7.4069 118.7941 58.3936 29.6786 177.9783 41 L 4.1406 7.9707 119.4367 58.1703 41.5347 179.4170 42 E 4.1971 7.7311 117.8403 58.3548 29.3760 178.7408 43 R 4.0537 7.7599 117.8484 57.5350 30.0161 176.9832 44 F 4.9351 7.8662 117.1405 56.9057 39.4044 176.0581 45 A 3.8606 8.0286 118.3126 52.8804 16.0409 178.0409 46 V 4.4616 7.1307 118.2114 62.3015 34.1375 174.8029 47 N 4.6986 8.4964 124.0083 52.1599 39.2413 174.3380 48 P 4.4703 0.0000 0.0000 64.3822 31.9588 178.3586 49 G 3.6331 7.9387 108.4355 47.9345 0.0000 175.6697 50 L 4.1895 7.4973 119.1770 57.3033 41.6079 178.0360 51 L 4.2585 7.4640 116.8144 55.7192 41.8804 176.6259 52 E 4.3896 8.3378 120.6219 55.5375 29.7474 175.0171 53 T 4.2152 7.5774 109.7022 59.4945 69.5500 173.6044 54 S 4.3044 8.7988 125.5063 62.0957 62.3670 176.1799 55 E 4.1076 7.7222 121.2700 58.8865 29.6298 178.7121 56 G 3.7551 8.5505 106.2557 47.7028 0.0000 175.5851 57 C 4.1871 8.2192 118.4866 62.5556 28.1710 176.0928 58 R 3.4967 7.7778 120.1415 59.1684 29.6056 178.5126 59 Q 3.9830 7.9391 117.9313 58.6813 28.6141 178.6041 60 I 3.6411 7.6085 120.4139 64.5690 37.2828 178.2777 61 L 3.7430 7.3516 118.3001 57.6357 41.1112 179.9060 62 G 3.6419 7.7352 104.5545 47.1689 0.0000 175.4574 63 Q 4.1153 7.8326 121.3150 59.1928 29.5368 177.7652 64 L 4.1118 8.1157 119.6189 57.2349 41.6025 178.8510 65 Q 4.0572 8.2574 118.7734 58.9020 28.5657 177.0472 66 P 4.4925 0.0000 0.0000 64.0603 31.6824 177.0029 67 S 4.6509 8.2140 114.7115 58.5314 63.9779 175.5735 68 L 3.9880 7.6763 121.6918 57.0718 41.2938 178.6136 69 Q 4.1368 7.8741 118.8164 58.2965 29.4954 176.2166 70 T 4.5565 7.4833 113.1684 61.4209 67.8665 174.2383 71 G 4.2325 7.6743 106.7273 42.7419 0.0000 174.5141 72 S 4.6244 8.2899 116.7106 57.2268 66.8867 173.9469 73 E 3.9579 8.8756 120.0424 60.0387 28.8997 179.0982 74 E 4.1650 7.8847 117.5399 59.4118 29.8814 178.4650 75 L 4.3279 8.2348 119.1898 56.6681 42.3410 178.5716 76 R 3.9756 7.8933 118.9174 59.2413 30.0903 178.3732 77 S 4.2224 8.6985 114.6101 61.4594 62.9499 176.2517 78 L 4.3145 8.3547 122.3538 57.9436 41.4758 178.4132 79 Y 3.9734 7.9868 118.6831 61.2160 38.5307 178.0041 80 N 4.4771 8.2393 117.0916 56.7191 38.6880 177.1482 81 T 4.1020 8.1919 116.7057 67.2131 68.7878 176.4077 82 I 3.7217 8.3271 121.5139 64.5522 36.9939 178.0871 83 A 3.9893 8.1493 121.3565 55.2883 17.9738 179.9495 84 V 3.5019 7.4524 114.8692 66.0041 31.9041 177.6024 85 L 4.1795 8.2689 120.1215 58.4285 41.8996 177.9017 86 Y 4.1827 8.5668 119.6348 61.2467 38.5493 178.1520 87 C 3.8611 7.9310 117.0669 62.8211 28.2549 176.0403 88 V 4.0947 7.4681 120.9723 65.9135 30.7808 177.7909 89 H 4.5606 7.7406 115.0161 58.2070 28.5982 176.5245 90 Q 4.1224 7.1478 118.1252 55.5431 29.1692 175.1601 91 R 3.8082 7.8359 115.9450 57.7337 28.8702 176.0055 92 I 4.6311 7.9216 117.0746 59.4950 40.9660 175.7949 93 D 5.1676 8.1895 121.3800 51.9751 39.3571 175.8686 94 V 3.5564 7.4932 112.4979 61.8837 32.7706 178.3007 95 K 3.9067 8.6711 122.8524 59.4364 31.9291 176.0468 96 D 4.5960 7.3579 115.8038 51.6595 42.3785 176.6259 97 T 4.1411 8.1214 115.3291 65.7502 67.9885 177.1935 98 K 4.0697 8.0271 120.8524 59.4541 32.3090 178.8132 99 E 4.1205 8.7028 117.9371 58.5494 29.4548 179.0757 100 A 4.1101 7.7078 120.3100 54.7419 18.6138 179.3231 101 L 4.1810 7.6593 118.2173 58.2807 42.2065 178.8575 102 D 4.4496 8.0610 118.7822 57.0532 40.5415 178.8204 103 K 4.3053 7.8440 118.4460 58.7179 32.0990 178.5056 104 I 4.2783 7.2856 117.0961 62.1604 38.0314 177.2507 105 E 4.2693 8.1327 119.7091 58.6959 29.7851 178.0336 106 E 3.9452 8.5822 119.7798 59.4343 29.3867 178.5047 107 E 3.9544 8.2094 117.8723 59.0163 30.0918 177.7563 108 Q 4.2452 7.8556 118.4403 57.8749 29.4534 176.8938 109 N 4.3275 8.4495 118.8987 56.4318 38.4050 176.6926 110 K 3.8869 7.9709 119.8338 59.7879 32.1939 179.1526 111 S 4.1692 7.9835 112.6339 61.4173 62.3126 175.6870 112 K 3.9782 7.9517 121.1792 59.0421 31.8963 178.9557 113 K 3.7887 8.7457 120.5301 59.5458 31.8140 179.1447 114 K 3.9502 7.5389 117.0324 59.3065 32.3219 178.6307 115 A 4.1191 8.3721 120.2899 55.6113 18.4887 177.9017 116 Q 4.1864 8.6986 115.8005 53.3237 29.2755 175.9039 117 Q 3.5748 8.0173 119.6172 56.6188 27.6438 173.2999 118 A 4.3868 7.6110 121.8915 52.4470 25.6303 178.7889 119 A 4.6167 8.1669 115.4827 52.0357 18.9712 176.8343 120 A 4.7558 7.3282 119.5996 52.8346 19.3417 177.0295 121 D 4.1990 8.2096 126.2694 55.4107 46.0906 179.7520 122 T 3.4593 7.5580 110.6608 61.3221 71.1083 170.8103 123 G 3.4860 8.4767 112.8705 46.8127 0.0000 175.4022 124 N 4.7950 8.8431 120.5005 52.2389 40.4602 174.4581 125 N 4.4607 7.8051 121.7664 53.6374 40.5431 175.1380 126 S 4.6060 8.2956 114.1383 57.0016 64.9307 174.0672 127 Q 4.7650 8.2201 123.9996 54.2709 31.3335 175.5694 128 V 4.2987 7.7516 116.2841 61.1424 33.6257 173.4433 129 S 4.2933 8.3387 117.5350 56.9867 63.6752 173.5941 130 Q 4.2766 8.4739 126.3365 55.5857 29.5473 175.1760 131 N 4.8453 8.1974 115.9425 51.7803 39.8894 174.5349 132 Y 4.0273 8.4281 118.4259 58.0569 39.0775 175.6367 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 2 G 8.35 3.71 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 0.00 3 A 9.05 3.31 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 4 R 8.11 3.56 0.00 1.94 1.97 0.00 3.20 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 5 A 8.04 4.63 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 6 S 7.33 4.77 0.00 3.82 3.73 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 7 V 8.38 3.66 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 0.70 0.00 0.00 0.86 0.00 0.00 8 L 7.35 4.86 0.00 1.46 1.46 0.21 0.77 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 9 S 8.88 4.58 0.00 4.04 4.12 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 10 G 8.22 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.04 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 12 E 8.09 4.04 0.00 2.10 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 2.42 2.37 0.00 13 L 8.30 4.06 0.00 1.92 1.86 0.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 14 D 7.71 4.41 0.00 2.88 2.76 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 0.00 0.00 0.00 15 K 7.90 4.05 0.00 2.02 1.92 0.00 1.85 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 1.49 1.50 7.81 16 W 8.79 4.23 0.00 3.39 3.29 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 17 E 8.21 4.98 0.00 2.28 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 0.00 2.66 2.36 0.00 18 K 8.06 4.00 0.00 1.78 1.84 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.62 7.81 19 I 6.70 3.79 1.65 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 1.32 0.45 0.97 0.00 0.00 20 R 8.32 4.72 0.00 1.76 1.80 0.00 3.09 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 21 L 7.69 3.68 0.00 1.25 1.41 0.63 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.51 4.69 0.00 1.66 1.73 0.00 3.33 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.43 0.00 23 P 0.00 4.85 0.00 2.16 2.41 0.00 3.30 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 24 G 7.97 4.03 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 0.00 0.00 0.00 25 G 7.83 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 26 K 8.27 4.34 0.00 1.67 1.78 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.34 7.81 27 K 7.72 4.22 0.00 1.75 1.55 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.40 7.81 28 Q 8.41 4.68 0.00 1.91 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 29 Y 8.58 4.25 0.00 2.47 1.43 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 0.00 30 K 8.93 5.17 0.00 1.78 1.71 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.50 7.81 31 L 8.91 4.09 0.00 1.76 1.80 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.28 3.95 0.00 1.81 1.85 0.00 1.59 0.00 0.00 1.84 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.69 7.81 33 H 7.90 4.44 0.00 3.98 3.83 0.00 5.67 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.37 3.96 1.89 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 1.65 0.67 0.00 0.00 35 V 7.88 3.61 2.17 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 1.02 0.00 0.00 1.00 0.00 0.00 36 W 8.60 4.15 0.00 3.67 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 37 A 8.50 3.88 1.62 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 38 S 7.90 3.99 0.00 3.98 3.89 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 39 R 7.77 3.81 0.00 1.87 1.76 0.00 3.25 0.00 0.00 3.11 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 40 E 7.41 3.78 0.00 1.25 1.70 0.00 0.00 0.00 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 1.87 0.00 41 L 7.97 4.14 0.00 1.88 1.93 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.73 4.20 0.00 1.88 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 0.00 2.31 2.28 0.00 43 R 7.76 4.05 0.00 1.44 1.24 0.00 2.83 0.00 0.00 3.04 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.44 0.00 44 F 7.87 4.94 0.00 3.21 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 45 A 8.03 3.86 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 46 V 7.13 4.46 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 1.01 0.00 0.00 1.06 0.00 0.00 47 N 8.50 4.70 0.00 2.87 2.70 0.00 0.00 6.88 8.02 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 48 P 0.00 4.47 0.00 2.19 2.27 0.00 3.67 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 2.05 1.93 0.00 49 G 7.94 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.50 4.19 0.00 1.71 1.75 0.92 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.46 4.26 0.00 1.59 1.68 0.96 0.84 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 52 E 8.34 4.39 0.00 1.91 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 2.20 2.28 0.00 53 T 7.58 4.22 4.21 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 1.25 0.00 0.00 54 S 8.80 4.30 0.00 4.01 4.09 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 55 E 7.72 4.11 0.00 2.11 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 2.34 2.40 0.00 56 G 8.55 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 57 C 8.22 4.19 0.00 3.42 3.25 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 0.00 58 R 7.78 3.50 0.00 1.85 2.00 0.00 3.13 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.30 0.00 59 Q 7.94 3.98 0.00 2.32 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 60 I 7.61 3.64 1.91 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 1.62 0.86 0.88 0.00 0.00 61 L 7.35 3.74 0.00 1.38 1.21 0.50 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.74 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.83 4.12 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 64 L 8.12 4.11 0.00 1.87 1.69 0.88 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.26 4.06 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.97 0.00 0.00 0.00 0.00 0.00 2.45 2.89 0.00 66 P 0.00 4.49 0.00 2.21 2.16 0.00 3.68 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 2.13 2.05 0.00 67 S 8.21 4.65 0.00 3.86 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 68 L 7.68 3.99 0.00 1.63 1.63 0.49 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 7.87 4.14 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 7.59 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 70 T 7.48 4.56 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 1.26 0.00 0.00 71 G 7.67 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 0.00 0.00 0.00 72 S 8.29 4.62 0.00 4.10 4.09 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 73 E 8.88 3.96 0.00 2.14 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 2.43 2.53 0.00 74 E 7.88 4.17 0.00 2.14 2.30 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 2.49 2.49 0.00 75 L 8.23 4.33 0.00 1.67 1.62 0.29 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.89 3.98 0.00 1.92 2.04 0.00 3.44 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 77 S 8.70 4.22 0.00 4.18 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 78 L 8.35 4.31 0.00 2.01 1.91 1.10 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 79 Y 7.99 3.97 0.00 3.05 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 80 N 8.24 4.48 0.00 3.07 2.96 0.00 0.00 7.06 6.93 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 81 T 8.19 4.10 4.63 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 0.00 0.00 0.00 1.67 0.00 0.00 82 I 8.33 3.72 1.75 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 1.48 0.75 0.82 0.00 0.00 83 A 8.15 3.99 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.45 3.50 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 0.19 0.00 0.00 1.04 0.00 0.00 85 L 8.27 4.18 0.00 1.98 1.77 0.14 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 8.57 4.18 0.00 3.02 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 C 7.93 3.86 0.00 3.26 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 88 V 7.47 4.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 1.16 0.00 0.00 89 H 7.74 4.56 0.00 3.16 3.23 0.00 5.80 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 7.15 4.12 0.00 1.58 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.61 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 91 R 7.84 3.81 0.00 1.98 1.99 0.00 3.24 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 92 I 7.92 4.63 1.87 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 1.34 1.04 0.93 0.00 0.00 93 D 8.19 5.17 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.49 3.56 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 0.84 0.00 0.00 0.94 0.00 0.00 95 K 8.67 3.91 0.00 1.74 1.88 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.44 7.81 96 D 7.36 4.60 0.00 2.96 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 97 T 8.12 4.14 4.42 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 1.32 0.00 0.00 98 K 8.03 4.07 0.00 1.92 1.85 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.52 7.81 99 E 8.70 4.12 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 100 A 7.71 4.11 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 0.00 101 L 7.66 4.18 0.00 1.89 1.72 1.00 1.49 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 0.00 102 D 8.06 4.45 0.00 2.94 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 0.00 103 K 7.84 4.31 0.00 1.88 1.93 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.55 7.81 104 I 7.29 4.28 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.77 0.95 0.00 0.00 105 E 8.13 4.27 0.00 2.11 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 2.40 2.45 0.00 106 E 8.58 3.95 0.00 2.12 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 2.32 2.49 0.00 107 E 8.21 3.95 0.00 2.03 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 2.32 2.35 0.00 108 Q 7.86 4.25 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 109 N 8.45 4.33 0.00 2.94 2.80 0.00 0.00 7.05 6.30 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 0.00 110 K 7.97 3.89 0.00 1.85 1.87 0.00 1.74 0.00 0.00 1.58 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.62 7.81 111 S 7.98 4.17 0.00 3.89 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 0.00 112 K 7.95 3.98 0.00 2.14 1.78 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.59 7.81 113 K 8.75 3.79 0.00 2.00 1.83 0.00 1.51 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.55 7.81 114 K 7.54 3.95 0.00 2.07 1.84 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.58 7.81 115 A 8.37 4.12 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 Q 8.70 4.19 0.00 2.25 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.16 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 117 Q 8.02 3.57 0.00 2.43 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 118 A 7.61 4.39 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 0.00 119 A 8.17 4.62 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 0.00 120 A 7.33 4.76 1.25 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 0.00 0.00 0.00 121 D 8.21 4.20 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 T 7.56 3.46 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 1.29 0.00 0.00 123 G 8.48 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 0.00 0.00 0.00 124 N 8.84 4.80 0.00 2.70 2.76 0.00 0.00 6.61 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 N 7.81 4.46 0.00 2.61 2.70 0.00 0.00 7.03 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 0.00 126 S 8.30 4.61 0.00 3.85 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 0.00 127 Q 8.22 4.77 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 128 V 7.75 4.30 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 0.68 0.00 0.00 0.92 0.00 0.00 129 S 8.34 4.29 0.00 3.80 3.76 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 0.00 0.00 0.00 130 Q 8.47 4.28 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 131 N 8.20 4.85 0.00 2.89 2.92 0.00 0.00 5.83 7.58 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 0.00 132 Y 8.43 4.03 0.00 2.95 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 0.00