NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 3.9213 8.3549 109.7193 45.4603 0.0000 175.1365 17 I 3.7067 7.3083 119.5835 63.0689 37.5670 175.2794 18 T 3.7702 7.7964 115.5913 63.9972 69.9330 173.6197 19 G 3.5073 7.9003 112.2179 44.6916 0.0000 171.4823 20 T 4.6526 7.6636 117.0642 61.8722 70.1486 174.5730 21 W 5.2651 8.9212 124.7856 55.2104 34.1540 173.7615 22 Y 5.5535 9.3853 118.9933 56.5191 41.9368 174.7906 23 N 5.9207 9.0556 120.4422 50.0467 40.2493 175.5069 24 Q 4.1633 8.7247 116.1091 58.2507 28.4882 177.1207 25 L 4.2768 8.0056 117.8803 54.9912 42.2221 177.4564 26 G 4.1135 8.1829 106.2963 44.8596 0.0000 174.0179 27 S 4.6432 8.1758 116.0189 58.5835 64.6706 173.0124 28 T 4.9724 8.4909 119.7039 61.7309 71.1798 172.9893 29 F 4.9488 9.1990 129.3312 56.5521 41.7627 174.1875 30 I 4.6178 8.6309 129.1625 59.5811 38.8874 175.2557 31 V 4.5595 8.0099 126.9771 59.8632 34.7689 174.9680 32 T 4.5967 8.9464 117.9519 61.9078 72.3701 172.8327 33 A 4.8540 8.3036 129.2085 49.8972 19.6904 176.9849 34 G 3.6997 8.9115 111.0654 46.2041 0.0000 173.5073 35 A 4.2502 8.5403 124.1867 53.9206 18.5915 178.0694 36 D 4.5107 7.9943 114.0735 53.3141 40.0688 177.2672 37 G 3.2348 8.1742 108.9402 44.7993 0.0000 173.3595 38 A 4.7868 7.8314 121.3483 51.3463 20.6844 176.4927 39 L 5.3656 8.5084 119.5715 53.1945 45.4202 176.0393 40 T 4.7241 9.3892 113.6725 59.6665 72.6507 174.5443 41 G 3.7380 7.3563 108.2391 46.5442 0.0000 171.1263 42 T 5.0600 7.8653 115.4005 61.9814 72.8365 172.7959 43 Y 5.1924 9.1227 124.4321 55.9523 42.8683 173.4566 44 E 5.2845 9.1213 126.8799 54.5829 32.6892 174.0987 45 S 5.2719 9.1727 121.4637 57.1622 63.7202 174.6789 46 A 4.0026 9.7825 130.9646 54.1964 18.4897 177.2199 47 V 4.3613 7.0259 107.5228 60.4828 35.9260 175.4879 48 G 3.5899 8.4339 108.5953 44.6741 0.0000 174.0360 49 N 4.5355 7.9658 115.1186 51.7845 36.6860 173.6677 50 A 4.7295 7.6261 122.0445 52.1173 22.4723 175.7206 51 E 4.6173 9.0948 114.9166 56.5749 32.0935 177.1221 52 S 3.8469 8.4664 116.1448 57.8274 61.8031 169.5451 53 R 4.9299 8.2619 116.7213 55.9267 30.9987 175.7442 54 Y 4.8398 8.9136 118.6227 56.1260 42.2922 175.0162 55 V 4.1544 8.6104 122.7166 62.6464 32.5321 174.8157 56 L 5.1821 7.9111 126.5720 53.6290 43.8621 175.1567 57 T 4.6390 8.1012 110.8279 61.9458 70.7248 172.5743 58 G 4.5333 8.1832 111.8343 46.4686 0.0000 172.0421 59 R 5.3858 8.9214 117.7233 55.0999 34.9133 174.1073 60 Y 5.3239 8.4125 117.8291 55.6044 41.8515 174.4077 61 D 4.4201 9.1068 121.3619 53.9205 41.8111 175.9764 62 S 4.6446 8.1971 120.4094 58.0454 63.7469 175.4888 63 A 4.6418 7.8598 121.5702 51.2498 19.5580 174.0183 64 P 5.0970 0.0000 0.0000 60.6911 33.1576 176.6034 65 A 4.2302 8.3365 121.3110 52.6991 18.6337 177.4741 66 T 4.4935 8.2567 108.3738 61.5301 69.5191 175.0220 67 D 4.4617 7.8891 121.0109 53.9658 39.9568 176.8834 68 G 4.0879 8.2946 107.4760 45.4216 0.0000 174.1114 69 S 4.2872 8.3000 115.9074 58.1496 63.3368 173.9967 70 G 3.9737 8.3175 109.8104 46.3778 0.0000 172.9449 71 T 4.7967 8.8444 116.6382 61.5808 70.2351 174.6810 72 A 4.8571 8.6749 129.4569 52.0651 20.0961 175.9054 73 L 4.8968 9.2418 121.0704 55.5659 44.6768 173.9943 74 G 5.1688 9.1784 104.7468 45.8236 0.0000 172.2517 75 W 5.8027 8.1245 116.3082 55.7302 31.6301 173.2801 76 T 5.2373 9.0505 116.7668 61.9150 72.4096 173.3831 77 V 4.2388 8.6136 123.5420 61.1121 34.8193 173.7258 78 A 4.6093 8.3063 129.6974 49.4440 20.2188 177.8913 79 W 4.0584 8.3061 126.7501 55.6422 28.1097 176.3952 80 K 5.3203 7.7927 118.2156 54.7449 34.8825 174.5581 81 N 4.9653 8.9776 122.9788 52.0040 39.7171 174.2475 82 N 4.0768 8.6751 113.7502 56.0950 38.9110 175.6628 83 Y 4.3470 8.1539 115.7019 59.7066 38.9092 175.6594 84 R 4.4509 7.4788 112.9449 55.6012 32.3558 173.0169 85 N 5.3318 8.7876 116.8185 52.0717 40.5962 173.8992 86 A 4.2634 9.0623 128.8709 52.1190 20.1425 176.0714 87 H 4.1548 8.4081 112.7674 56.0326 26.4990 173.4125 88 S 5.2980 7.5769 111.9701 57.7265 67.2569 173.8106 89 A 4.9745 8.8462 120.3173 50.9362 22.7545 175.3809 90 T 5.0611 8.8288 118.2544 61.7452 72.1703 173.3506 91 T 4.8542 8.2684 114.4313 59.6129 72.2258 172.6077 92 W 4.8240 8.6943 124.9945 54.8654 31.4489 174.6513 93 S 5.0141 8.4647 120.1908 56.7465 64.6122 173.3281 94 G 4.5414 8.4403 112.5842 46.6167 0.0000 171.7609 95 Q 5.2662 8.1783 116.9451 54.8516 32.6106 173.6690 96 Y 4.8151 9.4693 123.1088 56.9495 40.8308 174.2543 97 V 4.0945 8.6546 125.2814 61.1791 34.6204 175.0700 98 G 3.7501 8.0721 118.4695 45.1648 0.0000 171.3105 99 G 3.7621 8.9190 106.3525 44.0298 0.0000 172.1021 100 A 3.9960 8.6379 120.5889 54.6669 18.1360 177.6427 101 E 4.4520 7.9390 117.3957 54.0891 30.2782 174.6372 102 A 4.8038 8.4513 128.4294 51.7855 19.5959 176.3751 103 R 5.3413 9.3726 117.4357 55.1315 33.9248 174.0569 104 I 4.8963 9.0258 121.3419 59.8648 40.2147 174.3356 105 N 5.3509 8.7999 125.9276 52.0999 40.2105 174.6539 106 T 5.3006 9.1473 113.3101 60.2004 73.1796 172.6802 107 Q 5.2617 8.9576 120.8875 53.8849 32.3555 174.7791 108 W 5.3618 8.3406 118.8232 54.6090 32.5486 173.8511 109 L 5.1917 8.5832 119.9312 52.9295 44.5619 175.4133 110 L 5.0283 9.1624 126.7129 53.8557 44.2459 174.8279 111 T 5.0367 8.5668 123.9352 62.1687 70.5857 174.3506 112 S 5.0384 8.7833 122.0717 56.2500 65.8767 174.3198 113 G 3.8628 8.4146 110.5133 46.6869 0.0000 173.1934 114 T 4.8005 8.3410 114.5243 59.6116 72.2594 173.3819 115 T 4.5555 8.0405 112.1846 61.0418 69.9003 175.4617 116 E 4.0412 8.6344 120.6299 59.1267 29.1642 179.3185 117 A 4.1206 7.4528 119.7388 54.2133 18.5997 178.3063 118 N 4.7652 7.7056 112.3482 52.9786 39.2162 176.4190 119 A 4.3940 7.9591 126.0493 54.2092 18.1414 179.9523 120 F 4.3540 8.3726 112.4642 58.6434 38.0877 175.8555 121 K 4.3425 7.0414 118.7417 56.2737 32.8563 177.4290 122 S 4.2926 7.7253 116.5522 60.7674 63.7242 173.4087 123 T 5.0367 7.6422 117.1410 61.6325 70.9247 173.6552 124 L 4.6724 8.9994 127.2058 53.6865 43.6798 176.1670 125 V 4.3849 7.7174 120.6890 60.3973 34.6088 175.3371 126 G 2.9978 6.6576 106.9813 45.9283 0.0000 171.3000 127 H 5.4692 8.1023 114.2489 54.1963 31.6739 172.6430 128 D 5.3713 9.5708 120.4849 52.9429 45.1589 174.6724 129 T 5.2282 9.3191 118.5510 61.9058 71.6136 172.9812 130 F 5.7041 9.7671 125.6901 56.0993 41.7940 174.9418 131 T 5.5229 9.3887 112.3955 60.1134 73.1050 174.3663 132 K 4.0380 8.5789 119.7590 56.6056 32.2695 176.9776 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 16 G 8.35 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 17 I 7.31 3.71 1.39 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 -0.32 0.55 0.00 0.00 18 T 7.80 3.77 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 1.11 0.00 0.00 19 G 7.90 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.66 4.65 3.99 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 0.65 0.00 0.00 21 W 8.92 5.27 0.00 3.22 3.26 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 22 Y 9.39 5.55 0.00 3.00 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 23 N 9.06 5.92 0.00 2.40 1.42 0.00 0.00 6.61 7.07 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 24 Q 8.72 4.16 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 25 L 8.01 4.28 0.00 1.91 1.80 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.18 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.18 4.64 0.00 4.14 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 28 T 8.49 4.97 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 1.06 0.00 0.00 29 F 9.20 4.95 0.00 2.51 2.79 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 30 I 8.63 4.62 1.73 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 1.11 0.38 0.75 0.00 0.00 31 V 8.01 4.56 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 0.00 0.00 0.41 0.00 0.00 0.43 0.00 0.00 32 T 8.95 4.60 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 1.14 0.00 0.00 33 A 8.30 4.85 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.91 3.70 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 0.00 0.00 0.00 35 A 8.54 4.25 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 36 D 7.99 4.51 0.00 2.77 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 37 G 8.17 3.23 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 0.00 38 A 7.83 4.79 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 39 L 8.51 5.37 0.00 1.83 1.64 0.84 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.39 4.72 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 1.21 0.00 0.00 41 G 7.36 3.74 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 0.00 0.00 0.00 42 T 7.87 5.06 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 43 Y 9.12 5.19 0.00 3.04 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 44 E 9.12 5.28 0.00 2.09 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 2.45 2.34 0.00 45 S 9.17 5.27 0.00 4.26 3.82 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 46 A 9.78 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 47 V 7.03 4.36 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 0.71 0.00 0.00 0.86 0.00 0.00 48 G 8.43 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 0.00 0.00 0.00 49 N 7.97 4.54 0.00 2.58 2.64 0.00 0.00 6.63 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.63 4.73 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 51 E 9.09 4.62 0.00 1.94 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 2.23 2.08 0.00 52 S 8.47 3.85 0.00 3.49 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.26 4.93 0.00 1.75 1.87 0.00 3.22 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 54 Y 8.91 4.84 0.00 3.04 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 55 V 8.61 4.15 2.12 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 0.82 0.00 0.00 0.96 0.00 0.00 56 L 7.91 5.18 0.00 1.86 1.71 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.10 4.64 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 1.26 0.00 0.00 58 G 8.18 4.53 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 0.00 0.00 0.00 59 R 8.92 5.39 0.00 1.74 1.79 0.00 3.33 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 60 Y 8.41 5.32 0.00 2.97 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 61 D 9.11 4.42 0.00 2.90 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 62 S 8.20 4.64 0.00 3.90 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 63 A 7.86 4.64 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 64 P 0.00 5.10 0.00 2.27 2.20 0.00 3.45 0.00 0.00 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 65 A 8.34 4.23 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 66 T 8.26 4.49 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 1.24 0.00 0.00 67 D 7.89 4.46 0.00 2.80 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 68 G 8.29 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.30 4.29 0.00 3.96 3.85 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 70 G 8.32 3.97 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 0.00 0.00 0.00 71 T 8.84 4.80 4.59 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 1.44 0.00 0.00 72 A 8.67 4.86 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 73 L 9.24 4.90 0.00 2.04 1.94 1.27 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.18 5.17 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 0.00 75 W 8.12 5.80 0.00 3.54 3.30 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 76 T 9.05 5.24 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 1.20 0.00 0.00 77 V 8.61 4.24 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 -0.55 0.00 0.00 0.82 0.00 0.00 78 A 8.31 4.61 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 79 W 8.31 4.06 0.00 3.32 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.79 5.32 0.00 2.00 1.74 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.47 7.81 81 N 8.98 4.97 0.00 2.73 2.40 0.00 0.00 6.60 6.38 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 82 N 8.68 4.08 0.00 2.45 2.54 0.00 0.00 6.75 7.46 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 83 Y 8.15 4.35 0.00 3.07 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 84 R 7.48 4.45 0.00 1.98 2.09 0.00 2.80 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 85 N 8.79 5.33 0.00 2.67 2.64 0.00 0.00 6.94 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 9.06 4.26 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 87 H 8.41 4.15 0.00 3.44 3.37 0.00 5.63 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 88 S 7.58 5.30 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 89 A 8.85 4.97 1.19 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 90 T 8.83 5.06 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 -0.59 0.00 0.00 91 T 8.27 4.85 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 1.14 0.00 0.00 92 W 8.69 4.82 0.00 1.78 1.86 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 93 S 8.46 5.01 0.00 3.83 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.44 4.54 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 0.00 95 Q 8.18 5.27 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 96 Y 9.47 4.82 0.00 2.99 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 97 V 8.65 4.09 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 0.88 0.00 0.00 0.88 0.00 0.00 98 G 8.07 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 99 G 8.92 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 0.00 0.00 0.00 100 A 8.64 4.00 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 0.00 101 E 7.94 4.45 0.00 1.93 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 2.23 2.30 0.00 102 A 8.45 4.80 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 103 R 9.37 5.34 0.00 1.95 2.25 0.00 2.76 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 104 I 9.03 4.90 1.88 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.20 1.08 0.00 0.00 105 N 8.80 5.35 0.00 2.67 2.81 0.00 0.00 6.07 8.24 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 0.00 106 T 9.15 5.30 4.53 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 1.39 0.00 0.00 107 Q 8.96 5.26 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 108 W 8.34 5.36 0.00 2.66 2.36 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 0.00 109 L 8.58 5.19 0.00 1.53 1.54 0.87 0.41 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 0.00 110 L 9.16 5.03 0.00 1.69 1.78 1.02 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.57 5.04 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 1.20 0.00 0.00 112 S 8.78 5.04 0.00 3.67 3.74 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 0.00 113 G 8.41 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 0.00 114 T 8.34 4.80 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 1.22 0.00 0.00 115 T 8.04 4.56 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 0.00 116 E 8.63 4.04 0.00 2.02 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 2.41 2.33 0.00 117 A 7.45 4.12 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 0.00 118 N 7.71 4.77 0.00 2.61 2.66 0.00 0.00 6.78 8.23 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 0.00 119 A 7.96 4.39 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 0.00 120 F 8.37 4.35 0.00 3.18 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 0.00 121 K 7.04 4.34 0.00 1.50 1.08 0.00 0.98 0.00 0.00 0.72 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.94 0.98 7.81 122 S 7.73 4.29 0.00 4.13 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 0.00 123 T 7.64 5.04 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 1.19 0.00 0.00 124 L 9.00 4.67 0.00 1.87 1.71 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.72 4.38 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 0.53 0.00 0.00 0.68 0.00 0.00 126 G 6.66 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 8.10 5.47 0.00 3.17 3.16 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.57 5.37 0.00 3.19 2.41 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 0.00 129 T 9.32 5.23 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 1.40 0.00 0.00 130 F 9.77 5.70 0.00 2.95 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 0.00 131 T 9.39 5.52 4.43 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 1.41 0.00 0.00 132 K 8.58 4.04 0.00 1.60 1.51 0.00 1.20 0.00 0.00 1.32 0.00 0.00 2.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.80 7.81