NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5015 8.3049 120.3294 55.0967 33.0291 174.9171 2 E 4.2335 8.5178 123.8777 55.5483 31.1387 174.3472 3 L 5.2087 8.5496 121.3428 53.7835 45.8774 175.1104 4 T 4.7535 8.8353 114.1527 61.5474 70.9633 172.0470 5 T 5.3118 8.4746 109.7346 60.2833 72.2219 173.0473 6 R 4.7387 8.8703 121.2403 55.1780 34.3333 173.5867 7 T 5.0099 8.3468 120.3553 61.6883 70.5137 174.1758 8 L 4.3326 9.2041 128.3161 53.5396 42.6842 175.6316 9 P 4.6102 0.0000 0.0000 62.2278 32.2016 176.2713 10 A 4.0629 8.5198 121.9793 54.5307 18.3603 178.0881 11 R 4.1643 7.7208 117.1097 55.4065 29.7357 175.6534 12 K 4.4669 8.5594 125.1813 56.0919 34.3778 175.9846 13 H 5.2393 9.4887 120.9426 54.8056 30.3561 173.9548 14 I 5.0142 9.3543 125.3694 59.4687 39.6550 174.6977 15 A 5.1484 9.0428 129.2911 50.4566 21.1082 175.5835 16 L 4.9923 9.1982 123.0290 52.9225 44.4993 175.8878 17 V 4.6877 8.8681 123.7574 61.0208 34.9777 174.1118 18 A 5.3383 8.4130 126.8448 50.7838 22.2823 175.7604 19 H 4.6979 9.3464 119.1525 55.6853 30.1855 176.3480 20 D 4.4904 9.2703 121.0581 58.4647 40.5314 179.3132 21 H 4.4483 8.4541 113.0694 57.5807 29.2532 176.2413 22 C 4.7183 8.1269 118.0826 59.4532 28.4302 175.6022 23 K 4.1782 8.0352 124.7023 60.2359 31.6381 179.8286 24 Q 4.0828 8.1213 120.5016 60.4177 28.1016 180.1641 25 M 4.3537 8.1286 120.2664 58.3695 32.0761 178.5151 26 L 4.2169 8.1510 119.9808 58.3228 42.1463 178.6876 27 M 4.1043 8.4362 118.8833 58.7250 31.9080 178.7873 28 S 4.1759 8.3252 115.0006 61.5028 62.8489 176.6325 29 W 4.2171 8.2803 129.5888 60.5260 30.8913 177.8659 30 V 3.6573 8.5995 118.5419 66.0376 31.1635 177.8066 31 E 3.9500 8.4663 118.5819 59.6239 29.1537 179.6487 32 R 4.0000 8.1367 116.4937 58.2368 30.2268 177.1887 33 H 4.5309 7.3239 114.2071 55.1817 29.6230 175.3885 34 Q 3.8817 7.7897 122.6453 59.2092 28.4351 176.9871 35 P 4.1755 0.0000 0.0000 65.7264 31.6785 177.8793 36 L 4.1816 7.7080 118.2138 57.9710 42.2438 178.7106 37 L 4.1811 8.1290 118.9986 57.5658 41.2717 178.9488 38 E 3.9887 8.3324 118.9215 58.9075 29.5739 178.0731 39 Q 4.2391 7.8331 115.5020 56.7603 29.2924 174.5337 40 H 4.9495 7.9488 116.7449 53.9321 32.3791 173.3150 41 V 4.2205 8.5173 119.2442 61.8006 32.8683 174.6116 42 L 5.2873 8.3588 127.6808 53.5628 44.1124 175.1191 43 Y 5.2520 9.3470 119.6436 56.6780 42.4731 174.1666 44 A 5.2900 8.7842 121.6429 51.9544 23.5739 175.9799 45 T 4.0203 8.6196 109.7599 61.3114 70.3779 175.0547 46 G 3.8031 8.8907 105.8368 49.0263 0.0000 176.1666 47 T 3.8782 7.7368 116.1727 66.0509 69.0031 176.7171 48 T 4.0043 8.0835 117.2468 66.8871 68.5224 176.4248 49 G 3.7317 8.5261 107.6249 48.1408 0.0000 175.3824 50 N 4.4164 8.0679 118.4609 55.9246 38.6258 177.6208 51 L 4.0316 8.1212 120.5043 57.7265 41.7070 179.4686 52 I 3.7167 7.9098 119.9642 64.5355 37.0647 178.6297 53 S 4.4754 8.1743 118.7729 61.7382 62.5260 177.3459 54 R 3.9415 8.0059 123.0672 60.5692 29.1581 180.2260 55 A 4.6106 7.7544 118.7779 53.5708 19.5687 178.4494 56 T 4.4159 8.3323 106.2309 60.7163 70.1015 175.8392 57 G 3.9039 8.2588 109.5289 45.9584 0.0000 173.8746 58 M 4.2017 7.7851 119.7731 54.7939 32.6449 174.9968 59 N 4.7273 8.4626 119.9573 52.6701 39.4914 174.3675 60 V 4.4232 8.0717 125.3829 61.0827 34.4863 174.9818 61 N 4.6055 8.9551 125.9860 52.5839 38.5294 173.6487 62 A 4.7243 8.3659 125.7630 51.9225 19.4829 176.6799 63 M 4.7227 8.7427 123.0250 53.9037 35.6496 175.6916 64 L 4.2536 8.9747 119.4354 54.9951 43.3114 177.0098 65 S 4.3444 8.6815 115.3958 58.6290 63.4065 175.1362 66 G 3.7523 9.0548 112.1725 47.8775 0.0000 174.3135 67 P 4.1914 0.0000 0.0000 64.4979 31.3579 177.5475 68 M 4.4380 7.8868 115.0493 54.7041 32.5883 175.7095 69 G 3.7753 8.1631 108.3169 45.4434 0.0000 176.5794 70 G 3.6782 8.7151 108.5293 48.1650 0.0000 175.5705 71 D 4.2979 8.0238 120.5356 57.1912 40.8073 178.6570 72 Q 4.0174 7.9750 117.9996 58.5469 28.8229 178.4287 73 Q 3.9291 7.8934 119.4948 58.8299 28.6755 178.8151 74 V 3.5670 7.8599 119.4024 65.8786 31.5947 178.2221 75 G 3.5672 8.2084 105.3636 47.7215 0.0000 175.4362 76 A 3.9291 8.2441 123.4361 54.9176 18.3328 179.6821 77 L 3.7565 7.7776 117.4361 57.8709 41.6253 179.8690 78 I 3.5040 7.7893 120.0819 64.3519 36.8708 178.7146 79 S 2.7900 7.6504 113.3367 60.2347 62.8858 175.2901 80 E 4.0152 7.3534 120.0737 55.6442 29.4510 176.9264 81 G 3.6356 7.1396 107.1565 45.9590 0.0000 174.6127 82 K 4.1493 7.8323 117.3577 55.9066 32.6384 176.6266 83 I 4.3907 7.1960 119.6053 59.5044 39.8930 174.6631 84 D 4.8610 8.9973 124.2638 54.6789 42.8048 176.9666 85 V 4.7045 7.5866 117.6212 61.0328 35.5096 173.2957 86 L 5.0689 8.9490 129.0141 53.3878 44.9647 174.9507 87 I 4.5723 8.8444 127.9458 59.7732 39.1178 174.5384 88 F 5.3499 9.3899 131.4684 56.6855 41.3267 173.6315 89 F 5.5806 9.3286 127.3361 56.1153 38.0413 175.1221 90 W 4.4684 7.8687 119.5076 55.0212 30.0062 176.1587 91 D 4.3830 9.0265 121.8281 53.0598 40.2880 174.1859 92 P 4.4635 0.0000 0.0000 63.2230 31.6810 176.3701 93 L 4.7781 8.3063 118.1429 54.3190 42.4854 175.7760 94 N 4.8959 7.8628 114.5656 51.6708 42.4994 173.8470 95 A 4.3397 8.5648 125.7008 51.5940 19.5868 177.0488 96 V 4.4947 8.0671 116.3364 58.5199 34.0177 175.3311 97 P 4.2949 0.0000 0.0000 65.7415 31.5164 176.7674 98 H 4.8894 8.1241 114.5348 55.4493 30.0421 176.7071 99 D 4.2836 7.7541 123.6946 58.2171 40.9755 175.4239 100 P 4.2148 0.0000 0.0000 66.0321 31.1140 178.1326 101 D 4.3249 8.0553 118.1439 56.9522 40.7821 178.6056 102 V 3.7570 7.6290 118.5307 66.2346 31.6122 178.3509 103 K 3.8440 8.1533 117.9548 59.1966 31.8134 179.3332 104 A 3.9852 8.2848 121.5318 54.8929 18.3178 179.4280 105 L 3.8925 8.1563 119.0383 58.4495 42.3100 179.3274 106 L 4.1212 7.9981 118.8653 57.5783 41.4134 179.5408 107 R 3.9022 7.9814 119.0011 59.3214 29.9480 178.6022 108 L 4.0379 8.0989 118.6862 57.7699 41.3597 179.3215 109 A 4.1152 8.2030 120.7217 55.3181 18.1839 179.9700 110 T 3.8802 7.7512 114.0037 66.6746 68.3685 177.2053 111 V 3.3382 7.6147 119.3648 65.7981 31.4918 176.7909 112 W 4.3834 8.3301 116.3900 56.1006 29.1980 175.5850 113 N 4.1678 7.5731 116.2305 54.8311 37.2002 173.3703 114 I 4.6681 7.2061 109.2886 58.2000 40.9059 174.9260 115 P 4.4453 0.0000 0.0000 63.2744 32.2490 175.3909 116 V 5.1337 8.5125 123.0740 61.0265 34.7431 174.1900 117 A 4.9459 9.2281 129.1012 50.4516 21.5140 176.4758 118 T 5.3684 9.1134 110.7471 60.7607 70.1049 173.8649 119 N 4.2660 7.4777 119.3453 50.2873 41.5845 175.1303 120 V 3.3609 7.5726 119.6669 66.0149 31.5691 177.6723 121 A 4.1206 7.8890 119.9022 55.8173 18.2271 179.6708 122 T 3.8972 8.5036 114.0663 66.4837 68.5003 176.9968 123 A 4.0151 8.0049 122.8870 55.2651 18.2155 179.4366 124 D 4.6005 8.8592 117.8590 57.7573 40.7274 179.0807 125 F 3.9694 8.3267 117.1719 60.3835 39.1678 177.6797 126 I 4.0329 8.0683 119.5721 64.5392 36.8738 178.3528 127 I 2.6790 7.7385 117.4291 62.8786 37.8265 176.8370 128 Q 4.2575 7.4800 116.6010 55.2226 29.6396 175.8708 129 S 4.2867 7.5221 116.8360 57.1470 63.1927 172.4938 130 P 4.2446 0.0000 0.0000 66.7000 30.9901 177.4470 131 H 5.1767 8.0717 113.3464 54.9175 28.4586 176.9796 132 F 4.1495 8.3721 124.0338 60.4254 39.2466 175.5575 133 N 5.0813 7.8042 115.2759 53.0051 39.3666 173.7021 134 D 5.0857 7.6650 118.3139 52.1921 44.2488 175.2934 135 A 4.4988 8.3719 122.0606 52.1256 19.4432 177.5134 136 V 4.4550 8.5400 114.7333 59.5618 36.0303 174.4826 137 D 5.2281 8.7968 124.8092 53.4804 41.7872 175.8091 138 I 4.6374 8.7936 117.6083 58.9122 40.9031 174.5928 139 L 5.0233 8.4687 124.2247 54.3185 42.4943 176.1442 140 I 4.8938 8.8826 117.1186 57.9310 41.4840 173.0192 141 P 4.4519 0.0000 0.0000 63.0162 32.2154 176.7509 142 D 4.6761 9.0233 122.4778 53.3591 40.7738 176.3778 143 Y 4.2372 8.7383 130.3578 61.1510 39.0369 177.9406 144 Q 4.0396 8.5359 123.5741 61.1545 28.2403 181.3824 145 R 4.1319 8.1668 122.4151 61.1589 29.1007 179.9002 146 Y 4.1482 7.9934 120.2131 60.5024 38.8303 178.0619 147 L 3.5450 8.1869 121.2931 57.9614 41.9540 178.5874 148 A 3.9395 7.7510 119.5950 55.3954 18.0283 179.0429 149 D 4.3579 7.7915 116.8763 57.3169 40.6631 179.0809 150 R 3.9335 7.1338 117.4578 58.3508 30.1689 177.9376 151 L 4.4087 7.6980 118.6758 55.4724 42.0012 178.0809 152 K 4.2884 7.3410 128.3812 56.9841 31.8572 181.5688 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 4.50 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.69 0.00 2 E 8.52 4.23 0.00 2.03 1.87 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 2.40 2.42 0.00 3 L 8.55 5.21 0.00 1.49 1.55 0.91 0.76 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 4 T 8.84 4.75 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 1.33 0.00 0.00 5 T 8.47 5.31 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 1.23 0.00 0.00 6 R 8.87 4.74 0.00 1.90 1.79 0.00 3.01 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 7 T 8.35 5.01 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 1.21 0.00 0.00 8 L 9.20 4.33 0.00 1.53 1.55 0.91 0.93 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 9 P 0.00 4.61 0.00 2.28 2.06 0.00 3.87 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 10 A 8.52 4.06 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 11 R 7.72 4.16 0.00 1.75 1.83 0.00 3.20 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 12 K 8.56 4.47 0.00 1.47 1.52 0.00 1.45 0.00 0.00 1.78 0.00 0.00 2.47 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.42 0.61 7.81 13 H 9.49 5.24 0.00 3.17 3.30 0.00 5.77 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 9.35 5.01 2.03 0.00 0.00 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 1.29 0.78 1.07 0.00 0.00 15 A 9.04 5.15 1.18 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 16 L 9.20 4.99 0.00 1.55 1.55 1.01 0.72 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 17 V 8.87 4.69 1.73 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 0.80 0.00 0.00 0.69 0.00 0.00 18 A 8.41 5.34 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 19 H 9.35 4.70 0.00 3.25 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 9.27 4.49 0.00 2.80 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 21 H 8.45 4.45 0.00 3.26 3.39 0.00 5.86 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.13 4.72 0.00 3.28 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 23 K 8.04 4.18 0.00 2.06 1.92 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.73 7.81 24 Q 8.12 4.08 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 25 M 8.13 4.35 0.00 2.08 2.39 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 26 L 8.15 4.22 0.00 1.84 1.89 0.25 0.70 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 27 M 8.44 4.10 0.00 2.12 2.36 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 2.68 3.05 0.00 28 S 8.33 4.18 0.00 4.15 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 29 W 8.28 4.22 0.00 3.58 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 30 V 8.60 3.66 2.39 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 1.01 0.00 0.00 1.21 0.00 0.00 31 E 8.47 3.95 0.00 2.19 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 2.33 2.45 0.00 32 R 8.14 4.00 0.00 1.58 1.79 0.00 3.07 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.90 0.00 33 H 7.32 4.53 0.00 2.48 2.76 0.00 5.65 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.79 3.88 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.34 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 35 P 0.00 4.18 0.00 2.00 2.09 0.00 3.54 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.11 0.00 36 L 7.71 4.18 0.00 1.72 1.73 1.11 0.59 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 37 L 8.13 4.18 0.00 1.71 1.75 0.80 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.33 3.99 0.00 2.14 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 2.31 2.35 0.00 39 Q 7.83 4.24 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.44 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 40 H 7.95 4.95 0.00 3.11 3.53 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.52 4.22 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 0.89 0.00 0.00 0.88 0.00 0.00 42 L 8.36 5.29 0.00 1.60 1.58 0.96 0.93 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 43 Y 9.35 5.25 0.00 2.81 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 44 A 8.78 5.29 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 45 T 8.62 4.02 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 1.15 0.00 0.00 46 G 8.89 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 47 T 7.74 3.88 4.28 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 1.24 0.00 0.00 48 T 8.08 4.00 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 1.26 0.00 0.00 49 G 8.53 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 0.00 0.00 0.00 50 N 8.07 4.42 0.00 2.96 2.89 0.00 0.00 7.05 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 51 L 8.12 4.03 0.00 1.86 1.74 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.91 3.72 2.04 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 0.69 0.94 0.00 0.00 53 S 8.17 4.48 0.00 4.12 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 54 R 8.01 3.94 0.00 1.95 1.89 0.00 3.25 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 55 A 7.75 4.61 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 56 T 8.33 4.42 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 1.25 0.00 0.00 57 G 8.26 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 0.00 0.00 0.00 58 M 7.79 4.20 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 59 N 8.46 4.73 0.00 2.64 2.69 0.00 0.00 6.73 7.71 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 60 V 8.07 4.42 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 0.87 0.00 0.00 0.93 0.00 0.00 61 N 8.96 4.61 0.00 2.14 2.64 0.00 0.00 6.51 7.75 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 62 A 8.37 4.72 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 63 M 8.74 4.72 0.00 2.04 2.03 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 2.57 2.79 0.00 64 L 8.97 4.25 0.00 1.72 1.58 0.92 0.92 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 65 S 8.68 4.34 0.00 3.91 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 66 G 9.05 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 67 P 0.00 4.19 0.00 1.96 2.00 0.00 3.57 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 1.96 1.88 0.00 68 M 7.89 4.44 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 69 G 8.16 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 70 G 8.72 3.68 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 0.00 0.00 0.00 71 D 8.02 4.30 0.00 2.74 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 72 Q 7.97 4.02 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 73 Q 7.89 3.93 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 74 V 7.86 3.57 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 0.95 0.00 0.00 0.92 0.00 0.00 75 G 8.21 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.24 3.93 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 77 L 7.78 3.76 0.00 1.70 1.45 0.69 0.59 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 78 I 7.79 3.50 1.95 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 0.68 0.92 0.00 0.00 79 S 7.65 2.79 0.00 3.88 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 80 E 7.35 4.02 0.00 1.89 1.82 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 2.13 2.17 0.00 81 G 7.14 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 82 K 7.83 4.15 0.00 1.59 1.60 0.00 1.51 0.00 0.00 1.59 0.00 0.00 2.75 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 1.20 7.81 83 I 7.20 4.39 1.70 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.62 0.87 0.00 0.00 84 D 9.00 4.86 0.00 2.47 2.66 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 85 V 7.59 4.70 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 1.24 0.00 0.00 0.90 0.00 0.00 86 L 8.95 5.07 0.00 1.79 1.52 0.83 0.71 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 87 I 8.84 4.57 1.63 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.85 0.02 0.00 0.00 88 F 9.39 5.35 0.00 2.99 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 89 F 9.33 5.58 0.00 2.94 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.87 4.47 0.00 2.97 1.74 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 91 D 9.03 4.38 0.00 2.77 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 92 P 0.00 4.46 0.00 1.89 1.11 0.00 3.47 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.42 0.00 93 L 8.31 4.78 0.00 1.52 1.61 0.85 1.15 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 94 N 7.86 4.90 0.00 2.76 2.61 0.00 0.00 7.04 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 95 A 8.56 4.34 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 96 V 8.07 4.49 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 0.71 0.00 0.00 0.87 0.00 0.00 97 P 0.00 4.29 0.00 2.21 2.22 0.00 3.82 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 2.00 0.00 98 H 8.12 4.89 0.00 3.55 3.53 0.00 5.48 0.00 0.00 0.00 0.00 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.75 4.28 0.00 2.86 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 0.00 100 P 0.00 4.21 0.00 2.30 2.29 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 101 D 8.06 4.32 0.00 3.01 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 0.00 102 V 7.63 3.76 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 0.67 0.00 0.00 1.11 0.00 0.00 103 K 8.15 3.84 0.00 1.90 1.77 0.00 1.29 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.34 1.33 7.81 104 A 8.28 3.99 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 0.00 105 L 8.16 3.89 0.00 1.82 1.92 0.84 0.25 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 0.00 106 L 8.00 4.12 0.00 1.68 1.68 0.38 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.98 3.90 0.00 2.02 2.08 0.00 3.07 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 108 L 8.10 4.04 0.00 1.95 1.84 1.00 1.01 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 0.00 109 A 8.20 4.12 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 0.00 110 T 7.75 3.88 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 1.19 0.00 0.00 111 V 7.61 3.34 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 -0.02 0.00 0.00 0.87 0.00 0.00 112 W 8.33 4.38 0.00 3.42 3.19 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 0.00 0.00 0.00 113 N 7.57 4.17 0.00 2.78 2.93 0.00 0.00 6.95 9.14 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 0.00 114 I 7.21 4.67 2.13 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 1.31 0.88 1.01 0.00 0.00 115 P 0.00 4.45 0.00 2.21 2.14 0.00 3.87 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 2.17 2.16 0.00 116 V 8.51 5.13 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 0.95 0.00 0.00 1.04 0.00 0.00 117 A 9.23 4.95 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 0.00 118 T 9.11 5.37 4.37 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 1.44 0.00 0.00 119 N 7.48 4.27 0.00 2.63 2.59 0.00 0.00 5.84 7.68 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 0.00 120 V 7.57 3.36 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 1.18 0.00 0.00 0.68 0.00 0.00 121 A 7.89 4.12 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 0.00 122 T 8.50 3.90 4.27 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 1.24 0.00 0.00 123 A 8.00 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.86 4.60 0.00 3.12 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 0.00 125 F 8.33 3.97 0.00 3.23 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 0.00 126 I 8.07 4.03 2.20 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.03 1.19 0.00 0.00 127 I 7.74 2.68 1.91 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 0.96 -0.36 0.87 0.00 0.00 128 Q 7.48 4.26 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.61 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 129 S 7.52 4.29 0.00 4.18 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 0.00 130 P 0.00 4.24 0.00 2.19 2.33 0.00 3.75 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 1.96 1.99 0.00 131 H 8.07 5.18 0.00 3.29 3.36 0.00 5.92 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 8.37 4.15 0.00 3.17 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 0.00 133 N 7.80 5.08 0.00 2.71 2.88 0.00 0.00 6.87 7.94 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 0.00 134 D 7.66 5.09 0.00 2.65 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 0.00 135 A 8.37 4.50 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 0.00 136 V 8.54 4.46 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 0.78 0.00 0.00 0.97 0.00 0.00 137 D 8.80 5.23 0.00 2.55 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 0.00 138 I 8.79 4.64 1.92 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 1.38 0.97 0.95 0.00 0.00 139 L 8.47 5.02 0.00 1.57 1.66 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.88 4.89 2.21 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.44 1.13 0.00 0.00 141 P 0.00 4.45 0.00 1.77 1.79 0.00 3.47 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.08 0.00 142 D 9.02 4.68 0.00 2.77 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 0.00 143 Y 8.74 4.24 0.00 3.38 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 0.00 144 Q 8.54 4.04 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.01 0.00 145 R 8.17 4.13 0.00 1.81 1.97 0.00 3.22 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 146 Y 7.99 4.15 0.00 3.04 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 0.00 147 L 8.19 3.54 0.00 1.10 1.32 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 148 A 7.75 3.94 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 0.00 149 D 7.79 4.36 0.00 2.81 2.57 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 0.00 0.00 0.00 150 R 7.13 3.93 0.00 1.67 1.81 0.00 3.04 0.00 0.00 2.59 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.10 0.00 151 L 7.70 4.41 0.00 1.68 1.65 0.88 0.69 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 0.00 152 K 7.34 4.29 0.00 1.90 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.32 7.81