NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4161 8.1927 115.2903 58.5039 64.6481 175.6254 4 S 4.1392 7.9451 114.0587 60.9523 62.1584 174.6648 5 I 3.7178 8.4581 123.3545 64.4562 37.3106 177.9975 6 R 3.8725 7.9364 118.4145 59.2882 29.9442 178.7583 7 E 3.9905 8.6998 118.7946 59.4749 29.4647 179.0959 8 E 3.9773 8.2168 119.3656 59.0298 29.6567 179.0275 9 V 3.5483 7.9414 118.7403 66.4204 31.7409 177.8530 10 H 4.3190 8.4009 116.0592 58.6772 28.4366 178.0685 11 R 3.9638 8.1289 120.2268 59.2921 29.8702 178.4681 12 H 4.0849 8.3544 118.0114 59.4427 29.7269 177.3036 13 L 4.1020 7.9592 119.3407 57.6889 41.2470 179.4250 14 G 3.7667 7.9252 105.1586 47.6507 0.0000 176.2003 15 T 3.9687 8.1908 118.4618 66.5140 68.5015 177.3083 16 V 3.6348 7.9104 113.8054 63.8986 31.5055 178.3837 17 A 4.0385 7.6546 119.7391 54.9824 17.9303 179.5536 18 L 4.0542 7.8488 116.6983 57.3485 41.7062 178.4465 19 M 4.5163 7.4658 116.4418 53.6646 32.3140 175.6462 20 Q 3.9201 7.2747 121.0102 55.7052 29.3773 174.7960 21 P 4.3480 0.0000 0.0000 63.1438 31.9826 175.2459 22 A 4.3988 8.0123 121.9070 51.7159 21.7264 176.4139 23 L 4.3178 8.2987 120.1188 53.6876 41.1245 176.3081 24 H 4.4644 8.5554 124.4569 54.6050 29.3809 174.4262 25 Q 4.4105 8.1831 129.1767 54.0901 29.0512 175.2504 26 Q 4.1309 8.4956 125.0329 55.8357 29.5092 175.8810 27 T 4.5578 8.1911 111.0148 60.4026 70.9380 174.5311 28 H 4.7060 8.3427 122.6891 54.9673 29.3936 173.5565 29 A 3.6776 7.9074 124.6899 52.3230 15.9410 175.4468 30 P 4.4010 0.0000 0.0000 61.4348 32.8298 177.2692 31 A 4.2410 8.2549 122.0144 51.3951 19.2066 177.0286 32 P 4.2651 0.0000 0.0000 65.7937 31.4848 178.7909 33 T 4.1221 7.9043 106.0701 63.1869 68.7921 174.4550 34 E 4.3906 8.1881 121.0802 56.2921 30.1541 175.6425 35 I 4.3340 7.4603 121.3586 59.9572 37.6261 176.3489 36 T 4.4003 8.2039 116.7280 60.8229 71.3526 174.9119 37 H 4.1660 8.6833 120.0627 59.6831 29.8031 177.0435 38 T 3.8303 7.9766 116.9857 66.8240 68.3629 176.3626 39 L 3.9177 7.9258 120.6311 57.5901 41.6582 179.2086 40 F 4.1214 8.6504 121.0436 61.5026 39.1079 177.2421 41 R 3.9274 8.1952 116.9401 59.1961 29.6567 178.0501 42 A 4.0236 7.8868 120.7337 55.4055 18.1568 179.3074 43 Y 4.2216 8.1157 114.7598 60.7267 37.9826 177.5244 44 T 4.2795 7.4228 108.3980 60.5541 69.3538 175.0946 45 R 3.9558 6.7566 117.2256 56.4101 30.2484 176.1854 46 V 3.9460 8.0235 118.6007 60.9852 31.9946 174.5226 47 P 4.0272 0.0000 0.0000 66.0070 31.1314 177.4238 48 H 4.3330 6.9846 111.0280 56.8685 28.6526 175.7485 49 D 4.5595 7.7305 121.0443 53.2131 39.3501 175.6449 50 V 4.7361 7.2428 113.9894 59.3751 33.3652 176.1913 51 G 3.8592 8.0131 109.6604 47.4179 0.0000 173.8665 52 G 3.9979 8.9646 113.3282 45.1104 0.0000 173.5231 53 E 4.0878 8.0364 120.0369 55.7133 30.0998 176.3288 54 A 4.2711 8.3452 125.9579 52.4470 19.0783 176.2162 55 D 4.6607 8.1507 119.8367 53.1122 44.4123 174.8005 56 V 4.1438 7.9251 116.0180 59.4576 33.0692 174.1176 57 P 4.5407 0.0000 0.0000 61.9874 32.0233 176.1499 58 I 4.3846 7.3266 114.0855 58.6735 40.4635 175.0452 59 E 3.9665 8.4275 123.2660 55.4260 28.6455 175.9230 60 Y 4.3318 8.0097 124.4198 58.4229 38.5293 175.6944 61 H 5.0447 8.2521 117.5187 53.8232 31.9017 172.5078 62 E 4.5264 8.4827 119.3738 55.0875 31.0421 175.7441 63 K 4.5947 8.0057 120.1961 54.4893 35.2723 175.9247 64 E 4.0700 8.6389 125.3540 56.2191 30.1038 176.0967 65 E 4.2241 8.3767 123.1696 55.7097 30.7739 176.7806 66 E 4.2595 9.0893 126.0270 55.5371 31.7833 177.9716 67 I 3.6905 8.3775 123.2854 64.5499 37.2719 178.8742 68 W 5.1392 8.3629 118.0812 59.1136 27.8531 178.1135 69 E 2.8638 6.9306 119.1918 58.6507 28.8182 178.7362 70 L 3.8363 7.4381 120.2674 58.2071 42.1505 178.8288 71 N 4.4645 8.2859 116.4681 56.4752 38.3583 177.6764 72 T 4.0761 8.1172 117.4937 66.4535 68.6146 176.4995 73 F 4.2862 8.2834 122.6022 61.3852 39.3772 176.9247 74 A 3.9324 8.1923 120.2466 55.4588 18.0899 179.6368 75 T 3.8786 8.1378 114.1065 67.1997 68.4718 176.6134 76 C 4.5770 8.5922 118.7020 63.1265 28.1577 176.1491 77 E 4.0873 8.3587 120.1899 59.5008 28.9462 179.1415 78 C 4.5293 8.6985 117.3671 62.9015 28.1132 176.1012 79 L 3.9181 8.4694 120.6828 57.5860 41.1190 179.5076 80 A 5.1771 8.1445 122.3467 54.4248 18.2220 179.1816 81 W 4.4655 8.6500 126.2824 60.8214 30.7527 177.4978 82 R 4.3697 8.1633 115.2900 55.7121 29.6116 177.1403 83 G 3.9815 8.0394 105.9962 46.1705 0.0000 175.6251 84 V 3.6940 8.1838 122.0173 64.9912 31.8557 175.8651 85 W 4.9568 7.8582 114.3121 54.9452 30.3979 173.2594 86 T 4.7238 8.4660 110.3297 60.2947 71.3391 175.6774 87 A 3.6175 8.2156 122.8214 55.1789 18.3032 179.8369 88 E 3.7859 7.9451 116.7730 59.4669 29.5575 179.1890 89 E 3.9152 7.7226 117.7519 59.1551 29.4277 179.2573 90 R 2.9711 7.0583 118.3395 59.1856 29.9471 178.6262 91 R 3.5843 7.6553 117.9120 59.2290 29.9497 179.0345 92 R 3.7645 7.8036 118.2571 59.3662 29.5997 178.8029 93 K 4.2214 7.8940 119.6319 58.8198 31.9883 179.2685 94 Q 4.2157 8.7191 121.8842 58.0076 28.7937 176.8550 95 N 4.9998 8.5080 115.4091 53.2765 39.2908 175.4949 96 C 4.1786 7.4726 115.9462 61.3748 30.9587 175.9832 97 D 4.4085 8.2591 119.3386 57.3569 40.4981 179.3223 98 V 3.7121 7.1325 111.2836 62.3615 31.9090 177.2214 99 G 4.1497 8.1131 105.6369 45.7333 0.0000 174.0714 100 Q 4.0486 8.8293 120.9008 59.6680 28.8121 179.5329 101 T 3.9454 7.9050 115.6801 66.8938 68.6456 176.7968 102 V 3.6563 7.8187 119.5632 65.8952 31.4770 176.9812 103 Y 4.2056 8.3180 119.6201 60.3188 38.3825 177.5896 104 L 4.4240 7.6711 117.1411 55.1705 43.0502 178.5009 105 G 3.7912 8.2106 105.3536 46.0266 0.0000 173.9468 106 M 4.5802 7.2259 119.2313 53.1693 34.0758 174.7299 107 P 4.6183 0.0000 0.0000 62.5417 33.2259 176.1629 108 Y 4.1642 8.8732 119.3445 62.3653 38.4638 178.4292 109 Y 4.3480 8.2149 116.8127 60.2729 38.1649 178.4996 110 G 3.9251 8.4762 107.1369 48.0424 0.0000 175.8973 111 R 4.1347 8.3172 120.3358 58.5699 30.0562 179.2080 112 W 4.4427 8.1834 119.8438 59.1783 29.1845 178.1859 113 L 4.2231 8.7194 120.3850 58.4303 41.5768 178.8619 114 L 4.0864 8.2485 118.8712 58.4180 41.6401 179.8331 115 T 4.0343 8.2956 115.3139 66.2993 68.0260 176.8175 116 A 3.9878 8.3916 122.8315 55.1758 18.0036 179.5704 117 A 4.0231 8.2072 119.3365 55.0596 18.3607 179.8258 118 R 3.8514 8.1723 117.4949 59.7180 30.2134 178.6392 119 I 3.7283 7.9362 118.4950 63.9712 37.7697 177.7452 120 L 4.1074 7.4657 118.6944 57.7085 41.4370 179.7003 121 V 3.9987 7.4030 118.7434 65.4582 31.3850 177.8944 122 D 4.4097 8.3263 117.7696 56.6775 40.6419 177.9244 123 K 4.2062 7.6606 116.3654 55.0206 32.3445 176.3055 124 Q 3.4329 7.6332 116.6284 56.9786 26.7254 175.1582 125 F 4.4889 8.0586 118.1330 59.6318 39.5189 176.6789 126 V 4.6957 7.3351 112.6266 58.8588 35.7459 174.4034 127 T 4.3203 9.2508 114.1785 60.9839 71.2033 175.9183 128 L 3.9110 8.3262 123.1573 58.4369 42.0174 179.4980 129 T 3.8562 7.7642 115.4938 66.5883 68.3888 176.2101 130 E 3.9820 8.0995 120.5126 59.1686 29.4745 179.1962 131 L 3.9229 7.8234 120.1807 58.5925 42.2561 178.6781 132 H 4.2594 8.5598 116.5165 59.1785 28.6142 177.6434 133 N 4.4162 8.7208 118.6360 55.9396 38.2701 177.4960 134 K 3.9505 8.3694 121.4959 59.4342 32.3183 178.9386 135 I 3.6634 7.8781 120.1283 64.3213 37.0268 178.4709 136 V 3.5643 7.6880 118.9500 66.1419 31.2981 177.7133 137 E 3.9640 8.3614 118.9916 59.4396 29.4189 178.6840 138 M 4.0529 8.2832 118.9584 58.3869 31.9409 178.8718 139 R 3.9145 8.0454 118.1487 59.3979 30.1851 179.0497 140 E 3.9427 8.1966 118.3670 59.1321 29.2975 179.2019 141 R 3.8587 8.1980 119.0287 59.4927 30.1754 178.6887 142 V 3.5863 7.9019 117.5243 66.1245 31.3913 177.9190 143 A 4.0848 8.0733 119.2991 54.7648 18.2513 179.0610 144 S 4.3427 8.1675 111.5025 59.4009 63.4728 175.3996 145 G 3.9309 7.8844 110.7857 45.4978 0.0000 174.1947 146 Q 3.9122 7.5740 120.9348 56.9829 29.2320 176.3380 147 G 3.9163 9.5559 102.6539 45.3640 0.0000 173.3723 148 L 4.4105 9.2155 120.3476 54.4782 43.6380 176.1755 149 G 3.8292 8.3876 119.3799 46.6077 0.0000 172.2041 150 E 4.1696 8.3669 119.4619 57.3229 30.6237 177.7310 151 Y 4.3400 7.6586 118.4208 60.5063 38.4940 175.4059 152 L 4.9279 8.1505 121.7706 52.5174 44.9782 173.7373 153 P 4.7724 0.0000 0.0000 61.4890 32.3896 174.4082 154 P 4.4946 0.0000 0.0000 63.2321 31.3070 176.1659 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 3 S 8.19 4.42 0.00 3.87 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 4 S 7.95 4.14 0.00 4.01 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 5 I 8.46 3.72 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.53 0.89 0.00 0.00 6 R 7.94 3.87 0.00 1.98 2.01 0.00 3.27 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 7 E 8.70 3.99 0.00 2.14 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 2.35 2.64 0.00 8 E 8.22 3.98 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 9 V 7.94 3.55 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 0.84 0.00 0.00 0.95 0.00 0.00 10 H 8.40 4.32 0.00 3.22 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.13 3.96 0.00 2.06 1.99 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 12 H 8.35 4.08 0.00 3.29 3.50 0.00 5.60 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 13 L 7.96 4.10 0.00 1.85 1.75 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.93 3.77 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 0.00 0.00 0.00 15 T 8.19 3.97 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 1.19 0.00 0.00 16 V 7.91 3.63 2.03 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 0.58 0.00 0.00 0.97 0.00 0.00 17 A 7.65 4.04 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 18 L 7.85 4.05 0.00 1.73 1.74 0.91 0.77 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 19 M 7.47 4.52 0.00 1.99 2.19 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 2.56 2.51 0.00 20 Q 7.27 3.92 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 21 P 0.00 4.35 0.00 2.08 1.98 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 22 A 8.01 4.40 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 23 L 8.30 4.32 0.00 1.65 1.67 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.56 4.46 0.00 3.11 3.25 0.00 5.71 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.18 4.41 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 26 Q 8.50 4.13 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.47 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 27 T 8.19 4.56 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 1.28 0.00 0.00 28 H 8.34 4.71 0.00 3.13 3.24 0.00 5.85 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 29 A 7.91 3.68 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.40 0.00 2.21 2.08 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 31 A 8.25 4.24 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.27 0.00 2.20 2.14 0.00 3.61 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 2.12 2.09 0.00 33 T 7.90 4.12 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 34 E 8.19 4.39 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 35 I 7.46 4.33 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.89 1.15 0.00 0.00 36 T 8.20 4.40 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 1.25 0.00 0.00 37 H 8.68 4.17 0.00 3.27 3.39 0.00 5.88 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 38 T 7.98 3.83 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 1.20 0.00 0.00 39 L 7.93 3.92 0.00 1.99 1.91 1.06 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.65 4.12 0.00 3.27 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 41 R 8.20 3.93 0.00 1.87 2.04 0.00 3.34 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 42 A 7.89 4.02 1.17 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 0.00 0.00 43 Y 8.12 4.22 0.00 2.87 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 44 T 7.42 4.28 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 0.51 0.00 0.00 45 R 6.76 3.96 0.00 1.94 2.14 0.00 3.06 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.51 0.00 46 V 8.02 3.95 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 0.77 0.00 0.00 0.89 0.00 0.00 47 P 0.00 4.03 0.00 1.65 1.74 0.00 3.50 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 2.08 1.99 0.00 48 H 6.98 4.33 0.00 3.29 3.38 0.00 5.57 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.73 4.56 0.00 2.68 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 50 V 7.24 4.74 2.14 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 1.21 0.00 0.00 1.00 0.00 0.00 51 G 8.01 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 0.00 0.00 0.00 52 G 8.96 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 0.00 0.00 0.00 53 E 8.04 4.09 0.00 2.16 1.89 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 2.33 2.35 0.00 54 A 8.35 4.27 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 55 D 8.15 4.66 0.00 2.61 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 56 V 7.93 4.14 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 0.76 0.00 0.00 0.90 0.00 0.00 57 P 0.00 4.54 0.00 1.97 1.90 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 58 I 7.33 4.38 1.70 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 0.83 -0.16 0.82 0.00 0.00 59 E 8.43 3.97 0.00 1.87 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 0.00 2.28 2.30 0.00 60 Y 8.01 4.33 0.00 3.01 2.75 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 61 H 8.25 5.04 0.00 3.20 3.25 0.00 5.51 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.48 4.53 0.00 1.97 1.89 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 2.25 2.21 0.00 63 K 8.01 4.59 0.00 1.68 1.58 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.44 7.81 64 E 8.64 4.07 0.00 1.98 1.84 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 2.29 2.28 0.00 65 E 8.38 4.22 0.00 1.81 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 2.08 2.07 0.00 66 E 9.09 4.26 0.00 1.17 1.61 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 2.21 2.36 0.00 67 I 8.38 3.69 2.18 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 1.76 1.18 0.82 0.00 0.00 68 W 8.36 5.14 0.00 3.57 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 6.93 2.86 0.00 1.45 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 1.47 1.47 0.00 70 L 7.44 3.84 0.00 1.77 1.75 0.99 0.65 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 71 N 8.29 4.46 0.00 3.12 2.99 0.00 0.00 7.05 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 8.12 4.08 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 1.63 0.00 0.00 73 F 8.28 4.29 0.00 2.86 3.13 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 74 A 8.19 3.93 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 75 T 8.14 3.88 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 1.29 0.00 0.00 76 C 8.59 4.58 0.00 3.56 3.37 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 77 E 8.36 4.09 0.00 1.80 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.77 0.00 78 C 8.70 4.53 0.00 3.24 3.05 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 79 L 8.47 3.92 0.00 1.97 1.34 0.59 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 80 A 8.14 5.18 1.55 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 0.00 0.00 0.00 81 W 8.65 4.47 0.00 3.32 3.37 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 82 R 8.16 4.37 0.00 1.65 1.74 0.00 3.04 0.00 0.00 2.46 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.42 0.00 83 G 8.04 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 0.00 0.00 0.00 84 V 8.18 3.69 1.89 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 0.47 0.00 0.00 0.44 0.00 0.00 85 W 7.86 4.96 0.00 3.61 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 86 T 8.47 4.72 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 1.26 0.00 0.00 87 A 8.22 3.62 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 88 E 7.95 3.79 0.00 1.93 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 2.34 2.31 0.00 89 E 7.72 3.92 0.00 2.21 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 0.00 2.36 2.33 0.00 90 R 7.06 2.97 0.00 0.67 1.19 0.00 2.50 0.00 0.00 2.55 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.71 0.00 91 R 7.66 3.58 0.00 1.87 1.86 0.00 3.30 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.66 0.00 92 R 7.80 3.76 0.00 1.78 2.01 0.00 3.32 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 93 K 7.89 4.22 0.00 2.04 1.92 0.00 1.89 0.00 0.00 1.98 0.00 0.00 3.10 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.48 7.81 94 Q 8.72 4.22 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 95 N 8.51 5.00 0.00 2.75 2.87 0.00 0.00 6.80 7.53 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 96 C 7.47 4.18 0.00 2.97 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.26 4.41 0.00 2.89 2.73 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 98 V 7.13 3.71 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 0.81 0.00 0.00 1.18 0.00 0.00 99 G 8.11 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 0.00 0.00 0.00 100 Q 8.83 4.05 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.86 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 101 T 7.91 3.95 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 1.25 0.00 0.00 102 V 7.82 3.66 2.34 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 1.11 0.00 0.00 0.98 0.00 0.00 103 Y 8.32 4.21 0.00 3.28 3.22 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 0.00 104 L 7.67 4.42 0.00 1.64 1.69 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.21 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 0.00 106 M 7.23 4.58 0.00 2.12 2.21 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 2.68 0.00 107 P 0.00 4.62 0.00 2.44 2.14 0.00 3.77 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 2.29 2.25 0.00 108 Y 8.87 4.16 0.00 2.96 2.83 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 0.00 0.00 0.00 109 Y 8.21 4.35 0.00 2.95 2.78 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 0.00 110 G 8.48 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 0.00 0.00 0.00 111 R 8.32 4.13 0.00 2.17 2.08 0.00 3.29 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.97 0.00 112 W 8.18 4.44 0.00 3.85 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 0.00 113 L 8.72 4.22 0.00 2.17 2.07 1.08 0.84 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 0.00 114 L 8.25 4.09 0.00 1.84 1.79 0.99 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.30 4.03 4.57 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 1.50 0.00 0.00 116 A 8.39 3.99 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 0.00 0.00 117 A 8.21 4.02 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 0.00 118 R 8.17 3.85 0.00 2.13 2.15 0.00 3.18 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.94 0.00 119 I 7.94 3.73 1.56 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.92 0.06 0.00 0.00 120 L 7.47 4.11 0.00 1.90 1.73 0.89 0.62 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 0.00 121 V 7.40 4.00 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 1.33 0.00 0.00 0.91 0.00 0.00 122 D 8.33 4.41 0.00 2.73 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 0.00 123 K 7.66 4.21 0.00 1.83 1.24 0.00 2.07 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.46 7.81 124 Q 7.63 3.43 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 7.03 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 125 F 8.06 4.49 0.00 3.14 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 0.00 126 V 7.34 4.70 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 0.95 0.00 0.00 0.95 0.00 0.00 127 T 9.25 4.32 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 1.19 0.00 0.00 128 L 8.33 3.91 0.00 1.70 1.62 0.79 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.76 3.86 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 1.21 0.00 0.00 130 E 8.10 3.98 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 131 L 7.82 3.92 0.00 1.77 1.80 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.56 4.26 0.00 3.36 3.31 0.00 5.69 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 0.00 133 N 8.72 4.42 0.00 2.75 2.87 0.00 0.00 6.68 7.56 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 0.00 134 K 8.37 3.95 0.00 1.93 2.03 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 135 I 7.88 3.66 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.04 0.88 0.00 0.00 136 V 7.69 3.56 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 0.99 0.00 0.00 1.00 0.00 0.00 137 E 8.36 3.96 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 138 M 8.28 4.05 0.00 2.05 2.23 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 2.62 2.86 0.00 139 R 8.05 3.91 0.00 2.05 1.96 0.00 3.10 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 140 E 8.20 3.94 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.59 0.00 141 R 8.20 3.86 0.00 2.21 2.11 0.00 3.12 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 142 V 7.90 3.59 2.22 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 0.95 0.00 0.00 0.99 0.00 0.00 143 A 8.07 4.08 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 0.00 144 S 8.17 4.34 0.00 4.03 4.10 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 0.00 145 G 7.88 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 0.00 0.00 0.00 146 Q 7.57 3.91 0.00 1.99 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.32 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 147 G 9.56 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 0.00 148 L 9.22 4.41 0.00 1.70 1.62 0.97 1.43 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 0.00 149 G 8.39 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 150 E 8.37 4.17 0.00 1.94 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 1.64 1.77 0.00 151 Y 7.66 4.34 0.00 3.28 3.04 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 0.00 152 L 8.15 4.93 0.00 1.75 1.53 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.77 0.00 2.23 2.04 0.00 3.85 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 1.96 0.00 154 P 0.00 4.49 0.00 2.21 2.28 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00