NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.6932 8.4293 116.2238 55.1979 29.2188 173.2716 2 C 4.1641 7.8811 114.8609 56.7859 30.1071 172.5992 3 D 4.6110 8.4172 118.2901 55.1922 40.2060 175.4529 4 L 4.0863 7.5164 120.9523 57.0758 42.1627 175.9275 5 P 4.5832 0.0000 0.0000 62.3316 32.2976 175.3275 6 C 4.3729 8.4675 113.0165 57.5551 30.8107 175.0053 7 G 3.9064 8.2293 107.6329 45.5338 0.0000 172.9040 8 V 4.2220 7.1262 119.0830 60.9876 32.7532 174.3966 9 Y 4.6445 7.9350 123.3918 56.7277 42.1251 174.3368 10 D 3.5957 7.9450 116.9026 51.7383 43.6919 174.7967 11 P 4.0755 0.0000 0.0000 64.6775 31.1428 178.0408 12 A 3.9850 8.5064 120.6286 55.1752 18.0021 179.6500 13 Q 3.8076 8.0444 116.4515 59.0462 28.7468 178.8504 14 A 4.1429 7.7782 121.3274 54.9832 18.4774 179.4517 15 R 3.8450 8.1812 117.4032 59.7257 30.2716 178.7734 16 I 3.7345 8.0044 119.7925 64.5200 37.0841 178.3532 17 E 4.0010 7.9634 117.8105 59.3287 29.3697 179.2551 18 A 4.0754 8.2336 120.8670 55.0848 18.3598 179.5698 19 E 3.9659 8.6497 117.7757 59.6443 29.4166 179.7098 20 S 4.1326 7.9906 115.1629 61.4037 62.9191 176.7352 21 V 3.5619 7.7540 121.0114 66.0132 31.2825 178.0874 22 K 4.1340 8.0653 118.9103 59.4514 32.0599 178.6223 23 A 4.2191 8.2130 121.1786 55.3035 18.2235 179.7388 24 I 3.7611 8.1059 118.5913 64.5810 37.0918 178.6658 25 Q 4.0195 8.0924 118.8807 58.9229 28.3808 178.7300 26 E 4.0038 8.3277 119.6446 59.4585 29.4103 179.5987 27 K 4.1311 8.2364 118.4717 59.6864 32.2222 179.3756 28 M 4.3684 8.4100 119.0809 58.2418 31.6271 178.4492 29 A 4.1783 7.7894 119.5616 54.1015 18.6728 178.5265 30 A 4.6172 7.5636 117.4524 51.6616 19.5184 176.5979 31 N 4.6647 7.5778 114.3683 51.9964 40.7173 173.2063 32 D 4.7635 8.7003 124.6546 53.2472 40.1307 176.6067 33 D 4.4162 8.5366 120.8553 54.4837 42.4629 176.1262 34 L 3.9316 8.7091 128.5943 59.0454 42.1468 179.0143 35 H 4.1336 8.3284 115.3059 58.7460 28.6240 177.5070 36 F 4.2198 8.8016 122.6379 61.3406 39.2568 177.2844 37 Q 3.9169 8.4594 117.9388 58.7830 28.3921 178.8905 38 I 3.6397 7.8749 120.8496 64.4759 37.1320 178.6568 39 R 3.8151 7.9680 118.5959 59.1480 29.8113 179.0048 40 A 3.7192 7.8761 120.8487 55.3200 18.2876 179.8175 41 T 3.7270 7.7788 114.1633 66.6558 68.4388 176.9971 42 V 3.5274 7.8325 120.1572 66.2567 31.5117 178.2307 43 I 3.9293 7.9988 119.8260 64.1168 36.8445 178.3488 44 K 3.8943 8.4097 121.0920 59.2552 31.9613 178.4734 45 E 3.8898 8.1572 119.6981 59.4132 29.5777 178.9077 46 Q 3.9759 7.8432 117.7195 59.1225 28.7665 179.0358 47 R 3.9537 8.2958 119.0699 59.0517 30.0198 178.9652 48 A 3.9934 8.2558 120.8913 55.0006 18.2999 179.2813 49 E 3.8527 8.2095 117.8866 59.4475 29.6676 179.0586 50 L 3.9137 7.9508 118.8122 57.6901 41.6619 179.3459 51 A 4.0511 8.2109 120.7633 55.1624 18.2384 179.8461 52 K 3.9239 8.2921 117.1386 59.7468 32.0524 179.0640 53 H 4.1488 8.3487 118.6102 59.6814 29.9314 177.0412 54 H 4.2104 8.3173 118.1020 58.9113 28.5267 177.8696 55 L 4.1007 8.0247 120.8127 57.8366 41.3710 179.1613 56 D 4.5575 8.4722 119.2396 57.4997 40.7473 179.0996 57 V 3.7148 8.0992 118.8264 65.8894 31.5092 178.1161 58 L 3.8966 7.9918 118.5500 57.5358 41.2649 179.3358 59 W 4.6441 8.4390 127.4079 60.5354 30.7989 177.7070 60 S 4.0411 8.6821 113.3308 60.2786 62.9746 175.2281 61 D 4.6958 8.3324 121.0026 55.9544 41.7630 177.4366 62 Y 3.4289 7.4145 118.2218 60.1116 39.0225 175.6305 63 F 4.0314 7.9514 118.3264 57.2207 39.5622 174.8240 64 K 4.7004 8.0206 122.8500 53.0053 36.1955 175.1213 65 P 4.4362 0.0000 0.0000 65.9824 31.0038 176.9044 66 P 4.1713 0.0000 0.0000 65.9320 31.0672 178.4352 67 H 4.3426 7.9007 114.8799 58.9729 28.4537 177.9490 68 F 4.3491 7.5698 117.7631 60.3844 38.8027 177.1966 69 E 4.1884 8.3455 118.1434 59.5212 29.4143 179.1584 70 S 4.2594 7.9996 114.0886 59.8916 64.1927 174.1670 71 Y 4.7135 8.0778 119.6402 54.6478 37.8069 174.0040 72 P 4.4460 0.0000 0.0000 64.8332 32.1247 177.1987 73 E 4.3968 8.1548 114.4169 56.5453 30.7341 177.7443 74 L 3.9094 8.4071 122.9996 58.7116 42.0579 178.2725 75 H 4.3904 8.3200 115.5077 59.4829 28.6961 177.6736 76 T 3.8160 7.9470 116.8119 66.4165 68.2971 176.2256 77 L 3.8112 8.0224 122.2065 58.2674 42.1252 179.3298 78 V 3.5487 7.8254 118.1324 65.8343 31.4334 177.4927 79 N 4.0195 8.0507 116.9153 56.6109 38.6929 176.7942 80 E 3.7188 8.3348 120.2376 58.8916 29.4988 179.1915 81 A 3.8568 7.5263 120.8827 55.3251 18.5016 180.2133 82 V 3.6081 7.8031 110.9483 64.3300 31.5407 179.0443 83 K 3.9943 8.0359 118.2108 59.1224 31.8359 179.2691 84 A 4.1012 8.1074 121.4814 55.0193 18.2788 179.6990 85 L 4.0220 7.8187 117.3762 57.9423 41.5278 179.8082 86 S 4.1120 8.0911 115.0927 61.5234 62.5149 176.5978 87 A 3.9933 7.7963 122.4299 55.0576 18.3753 179.2898 88 A 4.1776 7.9891 120.6651 54.4578 18.1537 180.0461 89 K 3.9430 7.7672 116.4172 59.3918 32.1847 178.4529 90 A 4.4703 7.3757 118.1460 51.2926 18.7950 176.6922 91 S 4.6251 7.2486 112.3843 57.8369 65.6273 173.9751 92 T 4.3572 8.3244 113.3937 61.2845 69.6180 173.8283 93 D 4.5237 8.2004 124.1952 53.2282 41.3808 175.0006 94 P 4.7178 0.0000 0.0000 64.8183 31.2414 178.2943 95 A 3.9968 8.7164 120.5493 55.2412 17.7077 179.7391 96 T 4.0088 8.2871 108.7818 64.8233 68.9029 177.2652 97 G 3.6048 8.0387 108.1753 47.5745 0.0000 175.3181 98 Q 3.9814 8.3651 122.2316 58.6816 29.0330 178.1703 99 K 3.7611 8.1668 120.5352 59.3418 32.1754 178.5608 100 A 4.1492 7.8821 120.5115 55.3863 18.3569 179.5968 101 L 3.9740 7.9665 117.4296 58.0389 41.5107 179.5956 102 D 4.3237 8.2835 119.1864 57.5390 40.7378 178.4354 103 Y 4.4176 7.8808 117.2831 61.2104 37.8593 178.4995 104 I 3.8012 8.2129 120.6975 64.3025 37.1849 178.3090 105 A 4.1020 8.2509 121.7031 55.3041 18.3313 179.7419 106 Q 4.0337 7.9505 116.3825 59.1915 28.7513 179.0612 107 I 3.7921 7.9796 120.9404 64.2647 37.1300 177.9456 108 D 4.3570 8.6643 119.4452 57.1549 41.1891 178.1419 109 K 4.0868 8.2567 120.0834 59.8158 32.2608 178.8268 110 I 3.5426 7.6813 119.5986 64.0380 36.9887 177.9314 111 F 4.0533 8.6351 121.9985 61.4627 39.1418 177.4469 112 W 4.2260 8.1961 118.0866 59.6068 28.7626 178.4835 113 E 4.1349 8.1859 118.7398 59.5355 28.6953 179.2918 114 T 4.0769 7.8211 108.7310 64.2505 69.0035 176.6276 115 K 4.0454 7.3799 120.5894 58.8625 32.1714 178.6719 116 K 4.1745 8.0408 119.0506 58.8030 32.2915 176.9700 117 A 4.3245 8.0639 124.8550 52.4355 18.4663 176.8711 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 H 8.43 4.69 0.00 3.23 3.32 0.00 5.48 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 7.88 4.16 0.00 3.19 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.42 4.61 0.00 2.88 2.84 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 4 L 7.52 4.09 0.00 1.75 1.76 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.58 0.00 2.28 2.10 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 6 C 8.47 4.37 0.00 3.02 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 7 G 8.23 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 0.00 0.00 0.00 8 V 7.13 4.22 1.79 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 0.71 0.00 0.00 0.86 0.00 0.00 9 Y 7.93 4.64 0.00 2.75 2.37 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 10 D 7.94 3.60 0.00 2.57 2.38 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 11 P 0.00 4.08 0.00 2.23 1.88 0.00 2.81 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.09 0.00 12 A 8.51 3.99 1.39 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 0.00 0.00 0.00 13 Q 8.04 3.81 0.00 1.87 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 14 A 7.78 4.14 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 15 R 8.18 3.85 0.00 1.90 2.08 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.69 0.00 16 I 8.00 3.73 1.87 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 1.53 1.11 0.92 0.00 0.00 17 E 7.96 4.00 0.00 2.21 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 0.00 2.58 2.55 0.00 18 A 8.23 4.08 1.39 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 0.00 0.00 0.00 19 E 8.65 3.97 0.00 2.26 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 2.34 2.47 0.00 20 S 7.99 4.13 0.00 4.11 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.75 3.56 2.29 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 1.00 0.00 0.00 0.97 0.00 0.00 22 K 8.07 4.13 0.00 1.91 1.79 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.60 7.81 23 A 8.21 4.22 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.11 3.76 2.01 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 1.53 0.78 0.85 0.00 0.00 25 Q 8.09 4.02 0.00 2.30 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.66 0.00 26 E 8.33 4.00 0.00 2.23 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 2.35 2.60 0.00 27 K 8.24 4.13 0.00 2.18 2.20 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.74 7.81 28 M 8.41 4.37 0.00 2.10 2.31 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.45 0.00 29 A 7.79 4.18 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 30 A 7.56 4.62 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 31 N 7.58 4.66 0.00 2.41 2.36 0.00 0.00 7.14 8.35 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 32 D 8.70 4.76 0.00 2.83 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 33 D 8.54 4.42 0.00 2.89 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 34 L 8.71 3.93 0.00 1.79 1.66 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.33 4.13 0.00 3.46 3.40 0.00 5.87 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.80 4.22 0.00 3.17 3.27 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 37 Q 8.46 3.92 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.67 2.59 0.00 38 I 7.87 3.64 1.97 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 1.47 0.75 0.88 0.00 0.00 39 R 7.97 3.82 0.00 1.71 1.89 0.00 3.16 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 40 A 7.88 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.78 3.73 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 1.17 0.00 0.00 42 V 7.83 3.53 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 1.01 0.00 0.00 0.96 0.00 0.00 43 I 8.00 3.93 1.86 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 1.38 0.52 0.89 0.00 0.00 44 K 8.41 3.89 0.00 1.80 1.97 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.43 7.81 45 E 8.16 3.89 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 46 Q 7.84 3.98 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 47 R 8.30 3.95 0.00 1.81 2.09 0.00 3.29 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.79 0.00 48 A 8.26 3.99 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 49 E 8.21 3.85 0.00 2.19 2.13 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 2.29 2.38 0.00 50 L 7.95 3.91 0.00 1.94 1.69 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.21 4.05 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 52 K 8.29 3.92 0.00 2.00 1.86 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.64 7.81 53 H 8.35 4.15 0.00 3.20 3.41 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.32 4.21 0.00 3.35 3.29 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.02 4.10 0.00 1.88 1.75 0.94 1.12 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 56 D 8.47 4.56 0.00 2.92 2.86 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 57 V 8.10 3.71 2.29 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 1.24 0.00 0.00 0.90 0.00 0.00 58 L 7.99 3.90 0.00 2.10 1.70 0.77 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.44 4.64 0.00 3.46 3.60 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 60 S 8.68 4.04 0.00 4.05 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 61 D 8.33 4.70 0.00 2.98 2.99 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 62 Y 7.41 3.43 0.00 1.43 2.38 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 63 F 7.95 4.03 0.00 2.94 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 0.00 0.00 0.00 64 K 8.02 4.70 0.00 1.51 1.56 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.39 7.81 65 P 0.00 4.44 0.00 2.14 2.18 0.00 3.58 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.29 0.00 66 P 0.00 4.17 0.00 1.88 2.00 0.00 3.38 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 1.97 2.10 0.00 67 H 7.90 4.34 0.00 2.86 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.57 4.35 0.00 3.05 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 69 E 8.35 4.19 0.00 2.08 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 2.38 2.66 0.00 70 S 8.00 4.26 0.00 3.72 3.45 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 71 Y 8.08 4.71 0.00 2.97 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 72 P 0.00 4.45 0.00 2.07 2.17 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.25 0.00 73 E 8.15 4.40 0.00 2.16 2.24 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 2.38 2.30 0.00 74 L 8.41 3.91 0.00 1.81 1.89 0.49 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.32 4.39 0.00 3.25 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.95 3.82 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 77 L 8.02 3.81 0.00 1.86 1.83 1.07 0.79 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 78 V 7.83 3.55 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 0.92 0.00 0.00 1.14 0.00 0.00 79 N 8.05 4.02 0.00 2.68 2.74 0.00 0.00 7.21 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 80 E 8.33 3.72 0.00 1.34 1.12 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 2.14 2.38 0.00 81 A 7.53 3.86 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 82 V 7.80 3.61 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 0.79 0.00 0.00 0.87 0.00 0.00 83 K 8.04 3.99 0.00 1.92 1.80 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.42 7.81 84 A 8.11 4.10 1.56 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 0.00 0.00 85 L 7.82 4.02 0.00 1.92 1.73 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.09 4.11 0.00 4.05 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 87 A 7.80 3.99 1.39 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 0.00 0.00 0.00 88 A 7.99 4.18 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 89 K 7.77 3.94 0.00 1.98 2.01 0.00 1.69 0.00 0.00 1.97 0.00 0.00 3.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.63 7.81 90 A 7.38 4.47 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 91 S 7.25 4.63 0.00 3.77 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 92 T 8.32 4.36 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 1.21 0.00 0.00 93 D 8.20 4.52 0.00 2.71 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 94 P 0.00 4.72 0.00 2.20 2.11 0.00 3.94 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.93 0.00 95 A 8.72 4.00 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 96 T 8.29 4.01 4.26 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 1.22 0.00 0.00 97 G 8.04 3.60 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 0.00 0.00 0.00 98 Q 8.37 3.98 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 99 K 8.17 3.76 0.00 1.95 1.96 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.31 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.29 7.81 100 A 7.88 4.15 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 0.00 101 L 7.97 3.97 0.00 1.91 1.74 0.93 1.17 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 0.00 102 D 8.28 4.32 0.00 2.58 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.88 4.42 0.00 3.21 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 0.00 104 I 8.21 3.80 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.83 0.94 0.00 0.00 105 A 8.25 4.10 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 0.00 0.00 106 Q 7.95 4.03 0.00 2.38 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 107 I 7.98 3.79 2.09 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 1.45 0.87 1.08 0.00 0.00 108 D 8.66 4.36 0.00 2.93 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 0.00 109 K 8.26 4.09 0.00 1.97 2.03 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.18 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.59 7.81 110 I 7.68 3.54 1.83 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.76 -0.09 0.00 0.00 111 F 8.64 4.05 0.00 3.02 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 0.00 112 W 8.20 4.23 0.00 3.56 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 0.00 113 E 8.19 4.13 0.00 2.31 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 0.00 2.45 2.73 0.00 114 T 7.82 4.08 4.20 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 1.39 0.00 0.00 115 K 7.38 4.05 0.00 1.98 1.95 0.00 1.49 0.00 0.00 0.85 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.37 0.32 7.81 116 K 8.04 4.17 0.00 1.85 2.05 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.49 7.81 117 A 8.06 4.32 1.39 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 0.00 0.00 0.00