NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4163 8.2493 123.5854 52.9112 19.8003 176.6720 3 T 4.3484 7.6603 110.7244 61.0851 71.3440 173.4500 4 L 4.4044 7.6553 124.7534 53.5446 41.3218 176.4263 5 R 4.8915 8.0762 117.8935 53.4889 32.9348 175.9822 6 S 4.8108 8.6625 113.8766 58.8660 63.8850 173.0122 7 F 4.8805 8.2272 116.3873 55.9163 41.8481 173.0021 8 V 4.1458 8.2788 119.5921 62.0072 31.1944 175.2824 9 L 4.0717 8.4075 131.6570 57.2807 42.8955 176.9943 10 V 4.1776 7.4384 119.5327 61.0449 34.0542 174.2214 11 D 5.0504 8.7759 128.6817 53.2785 41.1711 176.2235 12 N 4.8080 9.2098 130.1206 52.7241 38.3090 175.8451 13 G 4.0903 8.8095 111.1550 44.8730 0.0000 174.4320 14 G 4.2106 7.2744 108.5285 45.5186 0.0000 174.1330 15 T 3.8186 8.1149 116.9249 65.5220 66.7824 176.9098 16 G 4.0406 8.9859 114.2100 45.9147 0.0000 173.9195 17 N 4.4699 8.0722 117.8686 53.4142 39.4269 175.2493 18 V 3.9591 8.4331 123.8274 61.8217 32.7895 174.5565 19 T 4.6972 8.2167 124.7218 61.9461 70.6502 174.4323 20 V 4.4812 8.0512 124.2784 61.1721 34.6487 174.8288 21 V 5.0191 9.0693 120.3820 58.8182 35.3252 173.1436 22 P 4.1919 0.0000 0.0000 62.6924 31.1931 176.2806 23 V 4.3633 8.7125 124.1405 63.9541 34.0424 175.2759 24 S 4.5580 7.5686 112.4053 56.8955 66.4289 174.0355 25 N 5.4927 8.2221 115.9689 52.3137 39.2082 173.5108 26 A 4.5451 7.6608 123.4740 51.9126 21.1521 177.2223 27 N 3.8907 9.5817 118.1327 54.4864 36.1386 175.2189 28 G 3.7975 8.5251 102.7292 45.8840 0.0000 173.9964 29 V 4.5357 7.5681 119.9159 60.6150 33.7803 174.5660 30 A 4.4739 8.8391 131.0078 51.4593 20.0847 175.4900 31 E 5.2168 8.6688 122.3406 54.1732 32.9765 174.5335 32 W 5.4615 10.0283 126.4603 55.2236 32.7697 174.6175 33 L 5.7794 9.4768 122.5965 52.0341 46.0521 176.3571 34 S 4.7143 8.5669 115.8243 56.9661 65.3045 174.4723 35 N 4.6994 8.1553 117.3219 52.1975 36.7245 173.3240 36 N 5.1320 7.3923 115.7435 50.7968 43.6444 174.9126 37 S 4.2230 8.4184 115.1187 58.8140 63.2820 176.0923 38 R 3.6834 8.8021 124.0436 59.3526 29.9612 178.2046 39 S 4.2506 8.0508 111.3757 60.7838 63.5232 174.6033 40 Q 4.4242 8.5788 119.0148 55.0867 28.2951 173.7091 41 A 4.9064 7.3338 118.4348 50.5790 22.8726 177.2274 42 Y 4.2533 8.9349 117.8220 58.2567 39.3792 175.3146 43 R 5.1953 8.8383 121.9630 54.9222 34.4023 173.9304 44 V 5.2102 9.1136 124.4350 61.6270 35.2767 174.0188 45 T 6.0558 9.5538 116.4922 59.5663 72.6754 172.4192 46 A 5.8907 8.8861 122.3608 52.1466 23.0573 175.1402 47 S 4.9831 8.6070 112.4432 57.3183 66.6658 172.5492 48 Y 4.8002 8.5941 122.6563 56.1021 40.8681 174.3927 49 R 4.5933 8.0538 124.2728 54.0682 35.2216 174.6289 50 A 4.4640 8.2233 121.8210 52.0981 19.5977 177.1766 51 S 4.1907 8.6837 113.7875 58.2418 66.1123 175.7637 52 G 4.0610 8.6147 117.0486 45.2522 0.0000 172.4134 53 A 4.4134 8.4551 120.4956 53.0671 19.4530 178.5484 54 D 4.5904 7.4743 114.8787 52.9160 40.5569 174.9547 55 K 5.1406 8.1345 117.0157 55.6272 36.9062 175.4513 56 R 4.8364 8.9933 120.1981 54.3648 34.3783 175.0185 57 K 5.0374 8.6628 122.4564 55.3597 35.4270 174.7880 58 Y 4.8226 9.3463 126.2662 57.8486 40.0599 175.3069 59 T 5.0048 8.9906 118.9104 62.2666 72.1101 172.6507 60 I 5.1992 8.8676 127.8789 59.3374 40.3533 175.2512 61 K 5.1482 9.2809 125.0682 54.5752 36.1430 175.0196 62 L 5.2852 8.9405 125.8976 53.3434 45.8014 175.0188 63 E 4.6396 9.1663 123.4275 54.6947 33.5990 174.5640 64 V 4.2065 8.5192 125.9425 60.3401 33.5049 173.1086 65 P 4.6188 0.0000 0.0000 61.8242 33.2714 175.8736 66 K 3.7145 7.6822 123.1659 54.4055 32.6146 174.8467 67 I 4.0116 7.7406 128.3155 61.2565 37.7676 175.8423 68 V 4.4558 8.3776 118.9053 60.5103 37.1068 173.7343 69 T 4.8946 8.2090 117.6306 61.9081 70.3384 174.3955 70 Q 4.3302 8.7983 128.4512 56.0565 30.8296 175.2267 71 V 4.9431 8.0275 115.6951 59.9514 35.6699 174.9695 72 V 4.2512 8.7183 125.1073 62.1914 34.2053 174.9656 73 N 4.1556 9.8420 125.4559 54.5654 35.9375 175.0192 74 G 3.8149 8.3636 101.8396 45.8297 0.0000 173.4398 75 V 4.3935 7.8811 121.0255 60.8054 33.3509 174.2367 76 E 5.1438 8.7563 126.4083 55.1325 31.5079 175.4940 77 L 4.9436 8.8775 122.2152 52.1271 46.3475 173.9062 78 P 4.7176 0.0000 0.0000 62.8794 32.1825 175.4557 79 V 4.5084 8.7270 123.7272 61.0888 35.8720 173.3740 80 S 4.9453 8.2672 116.5293 56.1719 63.5072 174.4160 81 A 4.1870 8.7381 130.4796 54.3096 18.9283 176.8309 82 W 4.3447 6.4940 107.9904 56.5163 31.7702 173.8414 83 K 5.2713 9.1914 118.1741 54.7677 35.8160 175.6310 84 A 4.9542 9.1098 124.3706 50.6445 21.4482 175.4920 85 Y 5.1761 8.8472 118.2288 56.1044 41.3431 175.0490 86 A 4.8837 8.9278 124.1896 50.2080 22.6922 174.8457 87 S 5.0838 8.7781 115.5049 56.5847 65.5579 173.1268 88 I 4.7530 9.0928 127.2989 59.5955 40.9524 173.9633 89 D 5.3746 8.9070 125.6945 52.4473 43.5958 174.8175 90 L 4.8536 9.1232 126.0349 53.4670 44.8651 174.9931 91 T 5.1884 8.6909 122.1502 61.8969 71.3596 173.4343 92 I 4.7476 8.9342 126.7853 58.6993 41.3135 173.5567 93 P 4.9977 0.0000 0.0000 62.5950 32.2342 177.3689 94 I 3.8883 8.3126 115.4666 62.4332 37.8769 177.1309 95 F 4.3089 7.4505 118.7655 58.9842 39.2304 175.4298 96 A 3.9578 7.7468 124.0206 52.4545 18.4645 177.8093 97 A 4.5995 8.7834 125.6027 50.8386 22.1520 177.4634 98 T 3.8030 8.4285 116.1416 67.5763 68.3472 176.1083 99 D 4.3865 8.1454 119.5045 57.7247 40.9197 178.5494 100 D 4.3865 8.1581 118.4943 57.6011 40.8394 178.8882 101 V 3.6069 7.8129 118.2729 66.4224 31.4636 177.8963 102 T 3.8261 8.0729 115.4672 66.7700 68.2864 176.2826 103 V 3.5329 7.8284 119.7041 66.2375 31.6265 177.6884 104 I 3.6585 7.7894 119.3265 64.6549 36.8955 177.8708 105 S 4.0134 8.5652 113.8799 61.7526 62.1702 176.6437 106 K 3.9978 8.4052 121.1436 59.2445 31.6467 179.5487 107 S 4.0653 8.4412 116.0185 61.6346 62.8235 176.5064 108 L 4.0259 7.7969 120.9954 57.8669 41.1855 179.3770 109 A 4.1201 7.5694 119.3275 55.2490 18.6542 179.4537 110 G 3.7504 8.5530 104.3312 47.8931 0.0000 175.0656 111 L 3.7514 8.1322 122.2357 57.8436 42.0986 178.5191 112 F 4.5065 7.7980 113.3981 56.1202 40.0015 176.1192 113 K 3.9455 7.5742 121.4811 56.3536 32.5657 176.0458 114 V 3.9275 8.1983 125.4172 64.0786 31.9466 175.4284 115 G 4.1057 9.0548 115.1651 45.8345 0.0000 174.1661 116 N 4.6912 7.9802 116.7206 51.4031 40.8450 174.0500 117 P 4.2089 0.0000 0.0000 66.6746 31.0212 178.3347 118 I 3.9311 7.8599 119.3963 63.7577 36.9377 178.1151 119 A 4.0384 7.9391 120.7994 55.0877 18.1315 178.8132 120 E 3.8415 7.9617 116.2713 59.5122 29.9560 178.4889 121 A 4.0416 8.4214 120.7925 55.3047 18.4873 179.4067 122 I 3.7242 7.9013 118.3448 64.6656 37.0402 178.4421 123 S 4.6534 8.1069 110.8180 58.9165 62.6086 174.4985 124 S 4.5814 7.3712 113.8301 58.1424 63.7239 173.6246 125 Q 3.4006 8.2469 116.3700 57.5814 26.0573 173.6297 126 S 4.6858 7.9704 112.9980 57.0761 65.2713 173.1469 127 G 3.8827 8.1424 109.9811 43.9856 0.0000 172.3251 128 F 4.3934 8.2728 119.7673 55.9646 39.1622 174.2599 129 Y 4.9209 8.0331 122.9904 54.8589 41.1539 175.4724 130 A 4.2923 8.7819 121.3905 53.4235 19.2138 176.3635 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 A 8.25 4.42 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 T 7.66 4.35 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 1.22 0.00 0.00 4 L 7.66 4.40 0.00 1.54 1.58 0.22 0.65 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 5 R 8.08 4.89 0.00 2.02 1.92 0.00 3.16 0.00 0.00 3.43 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.77 0.00 6 S 8.66 4.81 0.00 4.06 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.23 4.88 0.00 3.05 3.11 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 0.00 0.00 0.00 8 V 8.28 4.15 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 0.76 0.00 0.00 0.89 0.00 0.00 9 L 8.41 4.07 0.00 1.22 1.43 0.91 1.01 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 10 V 7.44 4.18 1.88 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 0.88 0.00 0.00 0.72 0.00 0.00 11 D 8.78 5.05 0.00 2.63 2.58 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 0.00 12 N 9.21 4.81 0.00 2.72 2.75 0.00 0.00 6.71 7.88 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 13 G 8.81 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 0.00 0.00 0.00 14 G 7.27 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 0.00 0.00 0.00 0.00 15 T 8.11 3.82 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 1.20 0.00 0.00 16 G 8.99 4.04 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 0.00 0.00 0.00 17 N 8.07 4.47 0.00 2.55 2.71 0.00 0.00 6.68 8.37 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 18 V 8.43 3.96 1.60 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 0.14 0.00 0.00 0.62 0.00 0.00 19 T 8.22 4.70 4.14 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 1.18 0.00 0.00 20 V 8.05 4.48 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 0.96 0.00 0.00 0.64 0.00 0.00 21 V 9.07 5.02 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 0.71 0.00 0.00 0.97 0.00 0.00 22 P 0.00 4.19 0.00 1.80 1.56 0.00 3.66 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.25 0.00 23 V 8.71 4.36 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 0.78 0.00 0.00 0.93 0.00 0.00 24 S 7.57 4.56 0.00 3.84 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 25 N 8.22 5.49 0.00 2.49 2.64 0.00 0.00 7.23 7.96 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 26 A 7.66 4.55 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 27 N 9.58 3.89 0.00 2.88 2.91 0.00 0.00 7.04 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.53 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.57 4.54 2.23 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 1.00 0.00 0.00 1.01 0.00 0.00 30 A 8.84 4.47 0.93 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 31 E 8.67 5.22 0.00 2.05 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 0.00 2.25 2.34 0.00 32 W 10.03 5.46 0.00 3.47 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 33 L 9.48 5.78 0.00 1.56 1.55 0.95 0.72 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 34 S 8.57 4.71 0.00 3.88 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 35 N 8.16 4.70 0.00 2.72 2.82 0.00 0.00 6.59 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 36 N 7.39 5.13 0.00 2.71 2.68 0.00 0.00 7.25 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 37 S 8.42 4.22 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 38 R 8.80 3.68 0.00 1.80 2.03 0.00 3.39 0.00 0.00 3.43 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 39 S 8.05 4.25 0.00 3.95 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 Q 8.58 4.42 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.20 2.41 0.00 41 A 7.33 4.91 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 8.93 4.25 0.00 2.91 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 43 R 8.84 5.20 0.00 1.90 1.73 0.00 3.09 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 44 V 9.11 5.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.95 0.00 0.00 45 T 9.55 6.06 4.44 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 1.34 0.00 0.00 46 A 8.89 5.89 1.49 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 47 S 8.61 4.98 0.00 3.90 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 48 Y 8.59 4.80 0.00 2.58 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 49 R 8.05 4.59 0.00 1.60 1.62 0.00 3.14 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 50 A 8.22 4.46 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 51 S 8.68 4.19 0.00 3.83 3.61 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 52 G 8.61 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.46 4.41 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.47 4.59 0.00 2.63 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 55 K 8.13 5.14 0.00 1.88 1.66 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.38 7.81 56 R 8.99 4.84 0.00 1.67 1.28 0.00 3.01 0.00 0.00 2.92 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.68 0.00 57 K 8.66 5.04 0.00 1.72 1.54 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.55 7.81 58 Y 9.35 4.82 0.00 3.06 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 59 T 8.99 5.00 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 1.32 0.00 0.00 60 I 8.87 5.20 1.89 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 1.30 0.94 0.94 0.00 0.00 61 K 9.28 5.15 0.00 1.73 1.74 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 62 L 8.94 5.29 0.00 1.73 1.47 1.02 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 63 E 9.17 4.64 0.00 2.01 1.63 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 1.79 2.23 0.00 64 V 8.52 4.21 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 0.83 0.00 0.00 1.01 0.00 0.00 65 P 0.00 4.62 0.00 1.76 1.70 0.00 2.32 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.28 0.00 66 K 7.68 3.71 0.00 0.79 0.74 0.00 1.10 0.00 0.00 1.12 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 0.81 7.81 67 I 7.74 4.01 1.76 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 1.17 0.43 0.88 0.00 0.00 68 V 8.38 4.46 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 0.63 0.00 0.00 0.93 0.00 0.00 69 T 8.21 4.89 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 1.24 0.00 0.00 70 Q 8.80 4.33 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 71 V 8.03 4.94 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 0.71 0.00 0.00 0.93 0.00 0.00 72 V 8.72 4.25 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 1.09 0.00 0.00 0.93 0.00 0.00 73 N 9.84 4.16 0.00 2.88 2.85 0.00 0.00 7.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.36 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 75 V 7.88 4.39 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 1.00 0.00 0.00 1.03 0.00 0.00 76 E 8.76 5.14 0.00 1.99 1.95 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 2.20 2.32 0.00 77 L 8.88 4.94 0.00 1.53 1.52 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.72 0.00 2.04 2.05 0.00 3.69 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 79 V 8.73 4.51 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 0.91 0.00 0.00 1.00 0.00 0.00 80 S 8.27 4.95 0.00 3.93 3.61 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 81 A 8.74 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 W 6.49 4.34 0.00 3.46 3.21 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 83 K 9.19 5.27 0.00 1.38 1.18 0.00 1.73 0.00 0.00 1.44 0.00 0.00 2.68 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.16 1.42 7.81 84 A 9.11 4.95 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 85 Y 8.85 5.18 0.00 2.81 2.90 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 0.00 0.00 0.00 86 A 8.93 4.88 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 87 S 8.78 5.08 0.00 3.90 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 88 I 9.09 4.75 1.88 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 1.16 0.46 0.94 0.00 0.00 89 D 8.91 5.37 0.00 2.54 2.61 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 90 L 9.12 4.85 0.00 1.79 1.74 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.69 5.19 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 1.24 0.00 0.00 92 I 8.93 4.75 2.03 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 1.33 0.95 1.00 0.00 0.00 93 P 0.00 5.00 0.00 2.22 2.17 0.00 3.66 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 2.21 2.17 0.00 94 I 8.31 3.89 1.62 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 -0.36 0.78 0.00 0.00 95 F 7.45 4.31 0.00 3.17 3.18 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 96 A 7.75 3.96 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 97 A 8.78 4.60 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 98 T 8.43 3.80 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 1.22 0.00 0.00 99 D 8.15 4.39 0.00 2.69 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.16 4.39 0.00 2.93 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.81 3.61 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 1.04 0.00 0.00 0.99 0.00 0.00 102 T 8.07 3.83 4.47 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 1.20 0.00 0.00 103 V 7.83 3.53 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 1.09 0.00 0.00 1.01 0.00 0.00 104 I 7.79 3.66 2.08 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 1.43 1.13 0.92 0.00 0.00 105 S 8.57 4.01 0.00 3.83 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 0.00 106 K 8.41 4.00 0.00 1.93 1.83 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.65 7.81 107 S 8.44 4.07 0.00 3.94 3.90 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 0.00 0.00 0.00 108 L 7.80 4.03 0.00 1.88 1.81 0.90 0.88 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 0.00 109 A 7.57 4.12 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 0.00 110 G 8.55 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 0.00 111 L 8.13 3.75 0.00 1.59 1.71 0.68 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 112 F 7.80 4.51 0.00 3.11 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 0.00 113 K 7.57 3.95 0.00 1.96 1.84 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.41 7.81 114 V 8.20 3.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.96 0.00 0.00 115 G 9.05 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 116 N 7.98 4.69 0.00 2.97 2.70 0.00 0.00 6.54 7.35 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 0.00 117 P 0.00 4.21 0.00 2.28 2.34 0.00 3.68 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 2.03 2.06 0.00 118 I 7.86 3.93 1.88 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.40 0.85 0.00 0.00 119 A 7.94 4.04 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 7.96 3.84 0.00 1.99 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 2.32 2.35 0.00 121 A 8.42 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 7.90 3.72 2.12 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.12 0.98 0.00 0.00 123 S 8.11 4.65 0.00 4.02 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 0.00 124 S 7.37 4.58 0.00 3.98 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 0.00 125 Q 8.25 3.40 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.13 6.85 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 126 S 7.97 4.69 0.00 3.82 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.14 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 0.00 128 F 8.27 4.39 0.00 3.11 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 0.00 129 Y 8.03 4.92 0.00 3.00 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 0.00 130 A 8.78 4.29 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