NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3174 8.3001 120.3235 54.2817 34.4891 175.4685 2 A 4.2204 7.4301 134.7157 51.2847 20.4089 174.0299 3 Q 4.2269 9.4156 122.1272 58.0780 30.6022 174.8041 4 N 5.0027 7.8305 112.8897 51.0641 41.4489 173.3421 5 N 4.7546 8.5203 117.4283 51.9744 38.5358 173.9853 6 E 4.3775 8.7490 123.4020 57.4405 30.5099 174.8476 7 N 4.8031 8.3337 115.0011 51.8555 45.7800 177.3779 8 A 3.6115 8.5364 124.4039 51.1330 18.4921 175.8737 9 L 4.2615 8.1709 116.4210 54.8069 40.9457 175.2714 10 P 4.2428 0.0000 0.0000 62.4541 31.8528 175.3816 11 D 4.3456 8.6586 120.2977 55.4811 41.4223 175.9913 12 I 4.5803 8.9555 126.0234 59.7292 39.2401 174.9913 13 T 5.3006 8.6435 117.0151 59.9181 71.2396 173.4758 14 K 4.8149 9.5881 124.4354 54.7048 35.7414 175.2396 15 S 5.2595 8.7647 120.1125 56.8810 66.0647 173.2437 16 I 4.5608 8.6548 122.6998 60.1098 41.9314 173.3305 17 T 4.7068 8.3933 124.4927 62.3974 69.7108 174.3899 18 L 4.2783 8.8705 128.6040 53.4071 42.6939 176.3114 19 E 4.5911 8.7265 123.5181 55.7832 28.4436 175.5606 20 A 4.7253 8.4617 128.0137 50.7487 23.8186 173.6036 21 P 5.0547 0.0000 0.0000 61.9577 32.8013 177.1771 22 I 3.8280 7.8854 119.8263 64.5370 37.8130 178.2484 23 Q 4.4019 8.2602 118.0725 59.0596 28.2866 178.3845 24 K 4.0932 7.9751 119.7381 58.9868 32.5099 179.0793 25 V 3.6823 7.8318 118.1549 65.5062 31.2152 177.5222 26 W 4.1400 8.4600 128.0617 60.6983 30.6085 177.3638 27 E 4.1953 8.2435 117.5510 58.7932 29.4164 177.8489 28 T 4.6225 8.1665 114.1907 63.8356 68.9774 175.3356 29 V 4.5593 7.8374 111.7527 62.4369 34.7133 176.6451 30 S 4.9239 7.8522 115.0785 56.4435 61.8077 171.5329 31 T 4.2888 7.0820 114.7409 61.6829 70.4298 171.8455 32 S 5.0916 8.2466 116.2661 57.4140 63.5544 174.5899 33 E 4.1518 8.9122 119.3803 58.6450 28.8606 179.6087 34 G 3.7176 8.0323 105.4292 47.9142 0.0000 175.1632 35 I 4.9858 8.5112 122.3351 63.4829 38.0091 177.6993 36 A 3.9441 7.9865 121.2149 54.8371 17.8519 179.0626 37 K 3.7962 8.1034 118.1507 59.7170 32.2999 178.5391 38 W 4.3803 7.9649 114.6748 59.8710 28.5091 177.2219 39 F 4.1731 7.2525 120.8158 57.3148 39.0856 174.0939 40 M 3.8602 8.1022 118.3285 53.9957 35.7878 172.3073 41 P 4.2248 0.0000 0.0000 63.1828 31.0781 174.6297 42 N 5.0812 8.3086 119.7809 52.8613 42.3134 173.6503 43 D 4.9991 8.3212 119.0644 51.7405 39.6481 175.6687 44 F 3.6858 7.7825 120.6057 59.6183 40.7193 174.6133 45 Q 4.3965 7.1277 122.7901 53.4889 32.6280 175.1353 46 L 3.7454 8.1202 123.4633 55.4536 40.3084 176.2362 47 K 4.7384 8.4814 122.7271 54.4967 36.0691 175.8320 48 E 4.6246 8.4709 120.1107 55.6752 32.2192 176.3187 49 G 3.9177 9.0569 113.2205 46.7711 0.0000 172.7161 50 Q 4.5299 7.5410 115.6965 54.0607 32.1959 173.8872 51 E 5.5177 8.3130 117.5371 53.2815 32.6033 175.2885 52 F 4.9197 8.2326 118.3107 55.3898 41.5406 173.1676 53 H 5.1065 9.3646 119.8496 54.1588 33.8794 173.6711 54 L 5.3384 8.1355 118.6544 55.1257 41.0092 176.8470 55 Q 4.6374 8.0795 117.0170 54.0508 32.8899 175.5290 56 S 3.9124 8.7097 116.0829 61.2593 62.9271 173.6597 57 P 4.1852 0.0000 0.0000 62.1378 30.8379 176.5786 58 F 4.5681 8.3423 123.6763 58.5670 40.6032 177.9632 59 G 3.9566 8.1275 108.6791 45.9212 0.0000 175.5467 60 P 4.5657 0.0000 0.0000 61.4875 33.4342 174.8505 61 S 4.4121 8.7330 115.0915 57.8158 63.4121 170.8254 62 P 4.2630 0.0000 0.0000 63.8103 31.2788 175.7998 63 C 5.5506 6.5303 113.2927 57.2462 33.8482 174.0311 64 K 5.3448 8.6004 119.2128 55.0016 35.8758 175.3049 65 V 4.4221 8.9902 125.6030 62.6786 32.2656 176.5632 66 L 4.1735 9.0409 128.9720 57.5843 42.0702 177.3680 67 A 4.9511 7.7444 118.5364 50.7829 22.6052 175.2778 68 V 4.8908 8.6160 119.9678 60.1464 34.6429 174.5689 69 Q 4.5923 9.4267 124.3415 53.9605 32.9201 173.9101 70 A 3.6468 9.0639 128.8519 53.1344 19.2385 178.4629 71 P 3.8574 0.0000 0.0000 61.3240 27.7472 174.1404 72 T 4.9206 8.2972 109.2022 61.6264 72.9263 175.1834 73 E 5.3859 7.9187 122.4032 53.0181 33.5576 173.2434 74 L 5.1366 9.4567 128.3142 53.4693 45.6288 175.1862 75 S 5.1290 9.6537 122.1265 56.8803 66.9899 173.0907 76 F 5.4302 8.9837 118.6103 55.7409 41.9805 172.7750 77 E 5.6310 9.2717 119.6478 53.6942 32.3519 174.8836 78 W 4.7546 8.8632 134.4586 57.9925 32.1424 177.4393 79 D 4.4828 8.7458 126.0004 54.6015 41.0542 174.3809 80 T 4.0761 5.7900 110.1432 63.4619 68.5303 173.6378 81 E 4.3587 7.8586 120.7559 55.2073 30.5790 175.9476 82 G 4.1910 7.9873 109.0849 45.5923 0.0000 173.9566 83 W 4.3040 8.2030 118.5307 55.6479 29.1909 175.9154 84 V 4.2122 8.1850 126.8739 62.0679 29.9816 173.3171 85 V 3.9884 8.1486 117.6667 60.4014 33.0942 175.0149 86 T 4.9379 9.0587 122.3792 61.7608 72.0481 172.9337 87 F 5.6199 9.2509 124.5589 55.9455 41.9482 174.4087 88 Q 5.0654 8.8873 122.7448 53.9282 31.3579 174.3464 89 L 4.7760 8.8668 126.0951 53.0602 45.7310 174.4241 90 E 4.7094 8.7868 126.2499 54.3810 31.7605 174.2093 91 D 4.8148 8.7935 127.6543 53.8718 40.7583 175.1975 92 L 4.7330 8.4577 126.2053 52.6375 44.3901 177.9899 93 G 4.0283 9.2538 113.4795 48.4764 0.0000 174.2685 94 E 4.2458 8.0595 118.0355 56.0128 28.8808 175.1488 95 K 5.2950 8.6641 117.2153 55.5923 35.4614 175.6898 96 T 4.7194 9.2297 110.7296 59.9059 71.2562 173.5846 97 G 4.6775 8.5135 113.8009 44.2007 0.0000 171.9959 98 F 5.2179 8.9397 129.3170 56.6303 41.7376 174.4610 99 T 4.7363 8.1961 122.8881 61.6544 71.4858 172.5284 100 L 5.1092 9.2876 129.4300 53.3401 45.0183 174.9570 101 I 5.1494 9.4765 126.3900 59.9043 40.4523 174.0500 102 H 5.1652 9.7805 124.9666 54.1835 31.3212 173.1283 103 S 4.7032 8.2386 116.9603 56.9497 66.4803 172.5538 104 G 4.0244 7.3514 106.4371 45.3686 0.0000 172.9680 105 W 4.9829 8.8647 121.2735 55.8633 32.0757 175.5233 106 K 4.0749 9.2646 121.1684 57.1966 29.7053 175.3489 107 E 4.8400 8.0388 114.3029 53.5894 33.8202 173.8256 108 P 4.8378 0.0000 0.0000 62.7920 34.2487 176.1717 109 N 4.7938 9.1281 114.2687 55.4061 39.4508 175.5999 110 Q 4.5234 7.9079 119.4283 55.6436 30.3040 175.7574 111 V 3.8781 8.1670 116.5736 60.4334 33.1583 177.2529 112 I 3.4334 8.1630 121.1278 63.4798 37.0152 174.1617 113 G 3.7078 7.4174 113.6871 45.1548 0.0000 172.6827 114 K 3.8945 7.8563 119.5352 57.1005 29.7079 178.4837 115 A 4.6198 7.6859 123.1241 54.3818 17.8150 177.3210 116 N 4.0370 6.4658 118.3017 52.5752 43.7047 173.6108 117 E 4.5513 6.4290 123.5669 54.7376 36.7058 175.2318 118 K 4.7864 7.2575 117.6070 55.1021 34.5489 178.0606 119 S 4.0569 8.6256 119.6189 61.5920 62.8446 177.2468 120 S 4.1137 7.9217 117.3357 61.4017 62.8441 176.8053 121 V 3.6766 7.5991 115.9063 63.8553 31.2372 178.7774 122 V 3.6342 7.9395 119.4243 64.7207 31.0198 178.7175 123 R 4.0411 7.7695 115.6159 58.8750 29.6089 178.8415 124 G 3.7234 8.0349 106.3889 47.2188 0.0000 175.9274 125 K 4.0178 8.1274 121.0342 59.8548 31.6234 179.1935 126 M 4.2974 7.8634 118.6387 57.7874 31.6835 177.8572 127 D 4.6796 7.9463 117.0457 55.6462 41.1490 175.9024 128 G 4.0106 7.9679 105.3318 47.2079 0.0000 175.2967 129 G 3.7917 8.2693 107.3216 46.0118 0.0000 175.1116 130 W 4.8413 8.1169 130.1485 59.9932 30.7239 178.0953 131 T 4.0241 8.0886 109.8361 64.1849 68.5027 176.6938 132 G 3.6755 7.7360 107.6886 47.8874 0.0000 175.6783 133 I 3.5880 8.1115 123.1297 63.7838 36.7582 178.7672 134 V 2.7271 7.5992 119.0860 65.3842 31.1756 177.6421 135 N 3.9444 7.5698 115.1371 55.9594 39.1876 175.6220 136 E 4.1367 8.2680 120.4632 58.3766 30.1826 177.8909 137 R 3.8582 7.5030 118.4365 58.6314 30.1714 178.0698 138 L 2.7978 7.0359 120.3836 57.6318 41.7696 178.9723 139 R 3.7233 7.0764 118.2434 58.9227 30.0183 178.7840 140 K 3.9544 7.6749 118.4133 59.4397 31.8769 179.2370 141 A 4.0163 8.4721 120.7634 54.7359 18.3378 179.5049 142 V 3.8676 7.3852 109.7601 63.1809 31.8426 176.4305 143 E 4.6232 7.7977 115.5780 57.5370 36.0265 176.1790 144 E 3.4270 8.0265 116.7013 57.6428 30.8987 173.0325 145 L 4.6445 8.3137 114.3243 56.1588 48.8293 175.9304 146 E 4.6831 7.8646 116.6121 54.5066 32.6826 173.7855 147 H 4.4555 9.4100 123.1791 57.2374 31.2881 173.7718 148 H 4.7512 7.9387 118.8098 54.0669 29.3180 174.0195 149 H 4.3667 8.8070 121.4917 57.6338 28.1870 175.5554 150 H 4.7392 7.4540 113.9338 56.1397 31.7787 172.3652 151 H 5.0497 7.9151 120.2409 55.0227 33.4604 173.2854 152 H 4.3070 7.9824 118.4585 55.8422 28.3567 173.1071 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 4.32 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 2 A 7.43 4.22 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 3 Q 9.42 4.23 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 4 N 7.83 5.00 0.00 2.66 2.71 0.00 0.00 6.86 7.99 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 5 N 8.52 4.75 0.00 2.96 2.93 0.00 0.00 5.97 7.73 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 6 E 8.75 4.38 0.00 1.93 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 7 N 8.33 4.80 0.00 2.71 2.79 0.00 0.00 7.26 8.53 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 8 A 8.54 3.61 1.28 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 0.00 0.00 0.00 9 L 8.17 4.26 0.00 1.73 1.78 0.93 0.76 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 10 P 0.00 4.24 0.00 2.06 2.05 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 11 D 8.66 4.35 0.00 2.58 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 12 I 8.96 4.58 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.26 0.96 0.00 0.00 13 T 8.64 5.30 4.30 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 1.30 0.00 0.00 14 K 9.59 4.81 0.00 1.95 1.84 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.61 2.01 7.81 15 S 8.76 5.26 0.00 3.73 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 16 I 8.65 4.56 1.89 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.78 0.90 0.00 0.00 17 T 8.39 4.71 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 1.20 0.00 0.00 18 L 8.87 4.28 0.00 1.64 1.48 0.59 0.26 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 19 E 8.73 4.59 0.00 1.94 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 2.22 2.26 0.00 20 A 8.46 4.73 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 21 P 0.00 5.05 0.00 2.27 2.20 0.00 3.72 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 2.16 1.95 0.00 22 I 7.89 3.83 2.09 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 2.00 1.30 1.23 0.00 0.00 23 Q 8.26 4.40 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.66 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 24 K 7.98 4.09 0.00 1.79 1.90 0.00 1.69 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.44 7.81 25 V 7.83 3.68 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 1.05 0.00 0.00 0.99 0.00 0.00 26 W 8.46 4.14 0.00 3.60 3.24 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 27 E 8.24 4.20 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 28 T 8.17 4.62 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 1.11 0.00 0.00 29 V 7.84 4.56 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 0.78 0.00 0.00 1.20 0.00 0.00 30 S 7.85 4.92 0.00 3.99 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 31 T 7.08 4.29 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 32 S 8.25 5.09 0.00 4.03 3.98 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 0.00 0.00 0.00 33 E 8.91 4.15 0.00 2.05 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 2.59 2.42 0.00 34 G 8.03 3.72 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 0.00 0.00 0.00 35 I 8.51 4.99 2.16 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 0.77 1.89 1.24 0.00 0.00 36 A 7.99 3.94 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 37 K 8.10 3.80 0.00 1.99 2.10 0.00 1.86 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.52 7.81 38 W 7.96 4.38 0.00 3.42 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 39 F 7.25 4.17 0.00 2.23 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 40 M 8.10 3.86 0.00 0.64 0.84 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 41 P 0.00 4.22 0.00 2.19 2.15 0.00 3.71 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 42 N 8.31 5.08 0.00 2.99 2.84 0.00 0.00 7.31 8.62 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 43 D 8.32 5.00 0.00 2.84 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 7.78 3.69 0.00 2.71 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 45 Q 7.13 4.40 0.00 1.89 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.02 0.00 0.00 0.00 0.00 0.00 2.15 2.45 0.00 46 L 8.12 3.75 0.00 1.55 1.59 0.98 0.39 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 47 K 8.48 4.74 0.00 2.02 1.69 0.00 2.00 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.36 1.46 7.81 48 E 8.47 4.62 0.00 1.91 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 49 G 9.06 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 0.00 0.00 0.00 50 Q 7.54 4.53 0.00 1.91 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.82 0.00 0.00 0.00 0.00 0.00 1.52 1.99 0.00 51 E 8.31 5.52 0.00 1.51 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 2.09 1.91 0.00 52 F 8.23 4.92 0.00 3.12 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 53 H 9.36 5.11 0.00 3.49 3.63 0.00 5.87 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.14 5.34 0.00 1.59 1.70 1.09 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.08 4.64 0.00 2.18 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.39 6.98 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 56 S 8.71 3.91 0.00 3.75 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 57 P 0.00 4.19 0.00 2.01 1.97 0.00 3.61 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 58 F 8.34 4.57 0.00 3.10 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.13 3.96 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 0.00 0.00 0.00 60 P 0.00 4.57 0.00 2.16 2.09 0.00 3.91 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 61 S 8.73 4.41 0.00 3.85 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 62 P 0.00 4.26 0.00 2.45 2.14 0.00 3.53 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 63 C 6.53 5.55 0.00 3.73 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 64 K 8.60 5.34 0.00 1.72 1.77 0.00 1.55 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.23 7.81 65 V 8.99 4.42 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.47 0.00 0.00 66 L 9.04 4.17 0.00 1.77 1.79 1.11 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.74 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 68 V 8.62 4.89 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 0.77 0.00 0.00 1.02 0.00 0.00 69 Q 9.43 4.59 0.00 2.07 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.01 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 70 A 9.06 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 3.86 0.00 1.68 2.04 0.00 2.20 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.77 0.00 72 T 8.30 4.92 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 1.21 0.00 0.00 73 E 7.92 5.39 0.00 2.07 1.77 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 2.29 2.29 0.00 74 L 9.46 5.14 0.00 1.81 1.76 1.29 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 75 S 9.65 5.13 0.00 3.76 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 76 F 8.98 5.43 0.00 3.25 2.93 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 77 E 9.27 5.63 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.07 0.00 78 W 8.86 4.75 0.00 2.98 2.53 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 79 D 8.75 4.48 0.00 1.58 1.54 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 80 T 5.79 4.08 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 81 E 7.86 4.36 0.00 1.16 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 1.63 2.23 0.00 82 G 7.99 4.19 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 0.00 0.00 0.00 83 W 8.20 4.30 0.00 3.24 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 84 V 8.18 4.21 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.12 0.00 0.00 85 V 8.15 3.99 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.03 0.00 0.00 86 T 9.06 4.94 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 1.26 0.00 0.00 87 F 9.25 5.62 0.00 3.08 3.24 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 88 Q 8.89 5.07 0.00 1.98 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 89 L 8.87 4.78 0.00 1.70 1.61 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.79 4.71 0.00 2.08 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 2.26 2.23 0.00 91 D 8.79 4.81 0.00 2.78 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 92 L 8.46 4.73 0.00 1.79 1.60 0.98 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 93 G 9.25 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 94 E 8.06 4.25 0.00 1.93 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 0.00 2.30 2.39 0.00 95 K 8.66 5.29 0.00 1.95 1.81 0.00 1.07 0.00 0.00 2.41 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.33 7.81 96 T 9.23 4.72 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 1.34 0.00 0.00 97 G 8.51 4.68 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 98 F 8.94 5.22 0.00 3.07 2.98 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 0.00 0.00 0.00 99 T 8.20 4.74 4.08 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 1.18 0.00 0.00 100 L 9.29 5.11 0.00 2.25 1.98 1.29 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 101 I 9.48 5.15 2.00 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 1.27 0.53 0.93 0.00 0.00 102 H 9.78 5.17 0.00 2.91 3.10 0.00 5.60 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 S 8.24 4.70 0.00 3.69 3.40 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 0.00 104 G 7.35 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 0.00 0.00 0.00 105 W 8.86 4.98 0.00 3.45 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 0.00 106 K 9.26 4.07 0.00 1.91 2.18 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.44 7.81 107 E 8.04 4.84 0.00 1.90 1.71 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 2.23 2.24 0.00 108 P 0.00 4.84 0.00 2.14 2.13 0.00 3.80 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 1.98 1.95 0.00 109 N 9.13 4.79 0.00 2.64 2.88 0.00 0.00 6.60 8.91 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 0.00 110 Q 7.91 4.52 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.51 0.00 111 V 8.17 3.88 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 0.77 0.00 0.00 0.86 0.00 0.00 112 I 8.16 3.43 0.93 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 -0.24 0.64 0.00 0.00 113 G 7.42 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 0.00 114 K 7.86 3.89 0.00 1.97 1.96 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.36 7.81 115 A 7.69 4.62 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.47 4.04 0.00 2.63 2.62 0.00 0.00 6.97 7.52 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 0.00 117 E 6.43 4.55 0.00 1.94 1.69 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 2.14 2.18 0.00 118 K 7.26 4.79 0.00 1.83 1.66 0.00 1.72 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.40 7.81 119 S 8.63 4.06 0.00 4.08 4.31 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 0.00 120 S 7.92 4.11 0.00 4.06 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 0.00 121 V 7.60 3.68 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 0.89 0.00 0.00 0.96 0.00 0.00 122 V 7.94 3.63 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 0.86 0.00 0.00 0.85 0.00 0.00 123 R 7.77 4.04 0.00 2.00 2.21 0.00 3.07 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.65 0.00 124 G 8.03 3.72 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 0.00 0.00 0.00 125 K 8.13 4.02 0.00 1.96 1.89 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.66 7.81 126 M 7.86 4.30 0.00 1.64 2.15 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.87 0.00 127 D 7.95 4.68 0.00 2.83 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 G 7.97 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 0.00 0.00 0.00 129 G 8.27 3.79 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 0.00 0.00 0.00 130 W 8.12 4.84 0.00 3.36 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 0.00 131 T 8.09 4.02 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 1.23 0.00 0.00 132 G 7.74 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 0.00 133 I 8.11 3.59 1.84 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 1.46 0.77 0.92 0.00 0.00 134 V 7.60 2.73 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 0.27 0.00 0.00 -0.45 0.00 0.00 135 N 7.57 3.94 0.00 2.66 2.91 0.00 0.00 6.86 7.62 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 0.00 136 E 8.27 4.14 0.00 1.95 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 2.21 2.21 0.00 137 R 7.50 3.86 0.00 1.88 1.85 0.00 3.16 0.00 0.00 3.02 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.49 0.00 138 L 7.04 2.80 0.00 0.27 0.93 -0.60 -1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 139 R 7.08 3.72 0.00 1.65 1.88 0.00 3.21 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 140 K 7.67 3.95 0.00 1.81 1.73 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.37 7.81 141 A 8.47 4.02 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 0.00 142 V 7.39 3.87 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 0.66 0.00 0.00 0.85 0.00 0.00 143 E 7.80 4.62 0.00 2.08 1.85 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 2.14 2.60 0.00 144 E 8.03 3.43 0.00 2.07 1.85 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 2.30 2.20 0.00 145 L 8.31 4.64 0.00 1.54 1.61 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 146 E 7.86 4.68 0.00 1.77 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.95 0.00 147 H 9.41 4.46 0.00 3.10 3.22 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 H 7.94 4.75 0.00 3.22 3.26 0.00 5.87 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 H 8.81 4.37 0.00 3.17 3.35 0.00 5.64 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 H 7.45 4.74 0.00 3.18 3.21 0.00 5.61 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 H 7.92 5.05 0.00 3.06 3.14 0.00 5.69 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 H 7.98 4.31 0.00 2.95 2.69 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00