NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7300 8.4249 118.1311 52.8884 40.8331 174.4880 4 R 4.3393 7.7400 115.5782 54.7263 31.8396 171.4287 5 V 4.0307 9.4407 117.3833 60.5452 33.1098 174.1519 6 P 5.3243 0.0000 0.0000 62.3036 32.9524 175.1693 7 S 4.8515 8.4457 113.9108 58.0225 66.3926 174.1428 8 S 5.3406 8.6466 114.5649 57.0366 66.5531 173.3775 9 R 4.5665 9.1274 120.9698 54.6279 32.6608 174.5265 10 T 4.2500 8.7158 124.1814 64.2276 68.2967 174.3888 11 V 4.2622 9.3652 128.3087 64.3904 32.9882 175.6965 12 S 4.8973 7.8581 112.6057 57.7386 66.7369 173.3353 13 Y 4.9239 8.7131 122.1507 57.4471 40.5163 173.3570 14 F 5.1029 8.3042 120.8885 55.8050 41.7384 173.5388 15 V 4.5564 8.7413 120.4524 63.2270 32.3289 174.7421 16 A 4.7310 8.8287 127.2620 51.2105 23.3524 174.9348 17 K 4.7826 8.5473 118.9738 54.5987 33.2843 175.6544 18 P 4.7610 0.0000 0.0000 62.7967 32.3579 176.3519 19 S 4.5590 9.0470 116.8489 57.5670 64.5538 175.4301 20 S 4.1302 8.6543 115.9865 61.7628 62.3073 177.0918 21 S 4.1062 8.0403 116.5312 61.2425 62.9459 175.9482 22 E 3.9816 8.2440 122.2681 59.6752 29.2558 179.2647 23 M 4.0440 8.3010 118.6812 58.3201 31.7302 178.5575 24 E 3.8545 8.1838 119.3329 59.4145 29.7346 179.0015 25 K 3.9887 8.3756 117.2876 58.1689 32.1772 178.3529 26 L 4.2974 7.9718 117.1949 53.2334 43.3000 175.9482 27 Q 3.5090 7.5651 115.8773 57.2835 26.1874 171.8872 28 L 4.8585 8.2219 116.3706 52.9071 46.0871 176.5943 29 G 4.1983 8.9887 108.9307 43.0456 0.0000 173.1171 30 P 4.2792 0.0000 0.0000 64.5345 31.3896 177.6688 31 E 4.2819 7.9761 114.5658 57.3013 30.4045 176.1028 32 D 4.5518 8.0435 121.1265 54.4916 41.3402 176.3392 33 S 4.9623 8.7817 119.8954 57.6688 65.0268 173.1888 34 I 5.1052 8.8844 116.3883 59.1186 41.1868 173.7224 35 L 5.0530 9.2276 125.9641 53.6695 44.0715 175.1007 36 R 4.7129 8.5202 126.3755 54.6663 32.9392 173.5058 37 M 4.7341 8.4904 124.4989 53.3170 34.3209 174.7885 38 E 4.7889 9.0168 120.1533 54.7526 33.3440 174.9208 39 R 4.9184 8.5033 123.2709 54.3157 34.4097 174.5301 40 I 4.6338 8.4508 122.5498 59.7947 39.5759 174.8412 41 R 4.8580 8.4773 126.2671 54.7419 32.0592 175.5665 42 F 5.4909 9.4316 121.4478 55.5905 43.3180 174.0533 43 A 4.7852 8.8533 122.1931 50.5783 21.5372 176.4265 44 D 4.4155 9.6430 124.6870 56.1349 39.1272 173.4828 45 D 4.2757 8.2243 110.6871 55.4052 38.9454 173.9299 46 I 4.6265 7.7798 119.5746 58.6354 39.1496 173.9630 47 P 4.4595 0.0000 0.0000 63.1090 32.0901 175.2428 48 I 4.6898 8.4956 121.2933 62.6909 39.9797 175.2399 49 C 4.7557 7.5078 114.3169 56.7160 33.1298 172.0546 50 F 5.1605 9.1379 123.2480 56.4630 41.4663 173.7667 51 E 4.6650 8.2057 126.7184 54.1795 32.6056 174.1711 52 V 4.4512 8.1537 126.5929 60.9102 34.0824 174.1401 53 A 4.9825 8.8562 128.8776 50.2062 22.6581 174.8724 54 S 4.9697 8.6522 116.8756 56.7708 67.0196 173.2529 55 I 4.7848 8.5390 124.9515 58.4069 40.7743 173.3418 56 P 4.4559 0.0000 0.0000 63.3610 31.6124 176.9638 57 Y 3.9891 9.5739 126.7259 60.4107 39.0220 177.9273 58 S 4.2885 8.2978 113.3072 60.7818 63.0248 175.0445 59 L 4.1870 7.9570 120.0345 55.6640 41.0693 176.8149 60 V 3.8615 6.4255 126.6681 63.7701 35.6758 171.6012 *83 K 4.2514 7.1389 116.5743 56.4926 34.2713 175.6074 84 I 4.8841 7.7669 122.1684 60.8861 39.3015 171.2042 85 G 3.9535 8.8726 118.5219 46.1671 0.0000 172.7809 86 H 5.2056 8.4631 118.9409 54.4177 31.9576 173.0594 87 S 5.2058 8.4456 111.1530 57.8580 65.6587 172.9924 88 N 5.1471 9.0205 117.0894 51.9027 40.8209 173.1426 89 Q 5.6942 8.4668 117.4960 53.8297 32.8520 174.8957 90 T 4.8156 8.1973 115.5280 62.3065 73.2468 172.9767 91 I 5.1073 8.2298 124.2230 60.3098 40.9078 175.2232 92 S 4.6171 8.8477 118.2419 57.9416 65.8924 172.2304 93 A 5.2065 8.5546 118.8395 50.6984 22.1267 176.0868 94 V 4.5642 9.0067 120.4325 61.1154 35.8793 174.3739 95 Q 4.7844 8.6128 122.5064 55.0910 30.1237 175.8294 96 A 4.2190 9.0494 125.8933 51.6188 19.4636 177.9170 97 S 4.4710 8.5895 117.3862 58.2641 64.3335 175.2323 98 E 3.7773 8.6249 119.9486 59.3045 29.2857 177.7240 99 Q 3.4738 7.9062 119.0999 59.5467 28.8206 178.8011 100 I 3.2938 7.4749 120.0162 64.0679 37.0266 178.2613 101 A 3.9194 8.2610 122.1091 55.0065 18.2058 179.4203 102 E 3.7909 7.9635 117.6831 59.7905 29.5988 178.4281 103 Y 4.4885 7.3991 115.3023 60.6530 37.9538 178.0140 104 L 4.5205 7.9365 116.5548 53.1051 43.3779 176.3836 105 E 3.7899 7.9743 117.3462 56.9088 26.9404 172.2523 106 I 4.6178 8.1001 110.8643 59.7582 41.6781 174.6165 107 K 4.4452 8.6291 119.4471 54.3284 33.2768 176.4972 108 R 4.0301 8.4403 122.2818 58.4997 30.1840 176.1039 109 G 4.0547 9.2190 113.7764 45.2715 0.0000 173.5949 110 D 4.5575 7.9791 119.2209 54.8887 42.1833 175.8307 111 A 4.9357 8.5236 123.8752 51.3623 19.5852 176.8370 112 I 4.7338 9.0212 116.3647 58.6391 41.4591 175.1600 113 L 4.6339 8.5948 124.1634 55.1729 43.0038 175.8806 114 R 5.2044 9.1999 122.9376 54.6762 33.3081 173.8728 115 V 4.9820 9.2924 126.4325 61.2819 34.4441 174.3884 116 R 5.1149 9.1188 125.8353 54.4284 33.8258 174.2841 117 Q 5.0276 9.1491 124.1078 54.2528 32.6643 173.7705 118 V 4.6691 8.3221 125.6443 61.1346 34.3826 174.1600 119 S 4.7146 8.0530 123.5295 56.7810 65.2783 172.7637 120 Y 5.1501 8.1946 120.5337 56.0749 41.1770 175.8740 121 F 4.8414 9.3091 121.4963 56.8940 40.0769 176.5318 122 E 4.1119 8.5780 122.5141 59.8798 29.3147 179.1288 123 N 4.3632 8.2945 114.3729 54.5616 37.2280 175.5597 124 G 4.0386 8.5459 105.6740 45.0899 0.0000 173.6923 125 L 4.2720 10.0608 124.5419 54.3208 42.5120 174.2606 126 P 4.5751 0.0000 0.0000 62.5161 31.8752 175.8221 127 F 4.9515 7.9162 115.8577 55.8673 39.4269 174.2648 128 E 4.6796 6.7379 117.3050 55.6874 33.1611 173.3720 129 Y 5.2415 8.7818 128.2407 55.9031 41.5724 174.1971 130 V 4.5630 8.9088 127.0966 59.7162 34.7555 174.9432 131 R 4.7647 8.6548 122.4537 54.8176 33.3336 174.3309 132 T 4.8738 8.8331 121.6587 61.5927 71.4628 173.3757 133 Q 5.0042 8.7444 126.9825 54.5692 32.0204 173.6198 134 Y 4.4778 8.7903 124.1344 56.3853 39.6531 175.3888 135 A 4.0536 8.7177 126.1069 52.6526 18.7411 175.6547 136 G 3.8369 9.5121 117.0199 45.8427 0.0000 171.9953 137 S 3.5504 9.3267 115.9592 57.2519 59.8581 169.5332 138 R 4.0886 8.5199 127.1705 56.0695 27.5516 175.6286 139 F 4.2076 7.7947 115.8139 57.4742 39.5464 174.3564 140 E 4.5400 8.1827 121.8537 54.7437 33.4230 174.7560 141 F 5.2092 8.2860 119.4985 55.8855 42.1526 174.5019 142 Y 4.7008 8.6553 122.6091 56.0412 40.7582 174.5658 143 L 4.6495 7.9152 126.3475 52.7219 44.7234 175.4645 144 E 4.5533 8.1736 119.9883 54.4176 32.7007 175.6411 145 K 4.1614 8.3684 123.2632 56.7436 33.2262 176.1139 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 N 8.42 4.73 0.00 2.75 2.97 0.00 0.00 6.93 6.78 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 4 R 7.74 4.34 0.00 1.82 2.07 0.00 3.25 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.76 0.00 5 V 9.44 4.03 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 0.76 0.00 0.00 0.95 0.00 0.00 6 P 0.00 5.32 0.00 1.97 2.02 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.24 0.00 7 S 8.45 4.85 0.00 3.81 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 8 S 8.65 5.34 0.00 3.86 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 9 R 9.13 4.57 0.00 2.08 2.01 0.00 3.14 0.00 0.00 3.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 10 T 8.72 4.25 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 1.44 0.00 0.00 11 V 9.37 4.26 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 0.80 0.00 0.00 0.65 0.00 0.00 12 S 7.86 4.90 0.00 4.35 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 13 Y 8.71 4.92 0.00 3.03 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 14 F 8.30 5.10 0.00 3.20 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.74 4.56 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 0.48 0.00 0.00 1.19 0.00 0.00 16 A 8.83 4.73 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 17 K 8.55 4.78 0.00 1.68 1.77 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.63 1.44 7.81 18 P 0.00 4.76 0.00 2.10 2.09 0.00 3.89 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 19 S 9.05 4.56 0.00 4.09 4.12 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 0.00 0.00 0.00 20 S 8.65 4.13 0.00 3.91 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 21 S 8.04 4.11 0.00 4.15 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 22 E 8.24 3.98 0.00 2.33 2.11 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 2.52 2.58 0.00 23 M 8.30 4.04 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.57 0.00 24 E 8.18 3.85 0.00 2.12 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 2.24 2.31 0.00 25 K 8.38 3.99 0.00 0.95 1.32 0.00 1.31 0.00 0.00 1.43 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.14 0.21 7.81 26 L 7.97 4.30 0.00 1.70 1.69 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.57 3.51 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 28 L 8.22 4.86 0.00 1.60 1.69 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.99 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 0.00 0.00 0.00 0.00 30 P 0.00 4.28 0.00 2.06 2.14 0.00 3.68 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 2.03 2.08 0.00 31 E 7.98 4.28 0.00 2.07 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 2.24 2.27 0.00 32 D 8.04 4.55 0.00 2.77 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 33 S 8.78 4.96 0.00 3.66 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.88 5.11 1.94 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 1.14 0.84 1.00 0.00 0.00 35 L 9.23 5.05 0.00 1.87 1.55 1.15 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.52 4.71 0.00 1.52 0.94 0.00 3.22 0.00 0.00 3.04 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.23 0.00 37 M 8.49 4.73 0.00 0.83 1.72 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.39 0.00 38 E 9.02 4.79 0.00 1.92 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 2.06 2.15 0.00 39 R 8.50 4.92 0.00 1.47 1.64 0.00 3.08 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.44 0.00 40 I 8.45 4.63 1.66 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.69 0.14 0.00 0.00 41 R 8.48 4.86 0.00 1.60 1.77 0.00 2.94 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 42 F 9.43 5.49 0.00 2.89 2.94 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 0.00 0.00 0.00 43 A 8.85 4.79 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 9.64 4.42 0.00 2.82 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 45 D 8.22 4.28 0.00 2.78 2.65 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 46 I 7.78 4.63 2.12 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 1.37 0.93 1.02 0.00 0.00 47 P 0.00 4.46 0.00 2.06 1.83 0.00 3.76 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.40 0.00 48 I 8.50 4.69 1.91 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.21 0.96 0.00 0.00 49 C 7.51 4.76 0.00 2.40 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 0.00 0.00 0.00 50 F 9.14 5.16 0.00 2.98 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 51 E 8.21 4.66 0.00 1.73 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 1.88 1.96 0.00 52 V 8.15 4.45 1.81 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 0.75 0.00 0.00 0.71 0.00 0.00 53 A 8.86 4.98 0.95 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 0.00 0.00 54 S 8.65 4.97 0.00 3.74 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.54 4.78 1.83 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 1.37 1.10 0.94 0.00 0.00 56 P 0.00 4.46 0.00 2.16 2.08 0.00 3.77 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 2.22 2.16 0.00 57 Y 9.57 3.99 0.00 3.10 3.02 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 58 S 8.30 4.29 0.00 4.09 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 59 L 7.96 4.19 0.00 1.92 1.85 1.20 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 60 V 6.43 3.86 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 0.63 0.00 0.00 0.90 0.00 0.00 *83 K 7.14 4.25 0.00 1.84 1.91 0.00 1.49 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.39 7.81 84 I 7.77 4.88 1.97 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.39 1.29 0.00 0.00 85 G 8.87 3.95 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 0.00 0.00 0.00 86 H 8.46 5.21 0.00 3.26 3.50 0.00 5.47 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.45 5.21 0.00 3.85 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 88 N 9.02 5.15 0.00 2.87 2.97 0.00 0.00 7.10 7.18 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 89 Q 8.47 5.69 0.00 1.87 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.76 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 90 T 8.20 4.82 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 1.25 0.00 0.00 91 I 8.23 5.11 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.62 1.05 0.00 0.00 92 S 8.85 4.62 0.00 3.88 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 93 A 8.55 5.21 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 9.01 4.56 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 0.84 0.00 0.00 0.97 0.00 0.00 95 Q 8.61 4.78 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.79 0.00 0.00 0.00 0.00 0.00 2.55 2.37 0.00 96 A 9.05 4.22 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 97 S 8.59 4.47 0.00 3.95 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 98 E 8.62 3.78 0.00 1.99 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 2.29 2.30 0.00 99 Q 7.91 3.47 0.00 1.93 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 1.67 2.20 0.00 100 I 7.47 3.29 1.73 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 0.96 0.23 0.84 0.00 0.00 101 A 8.26 3.92 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 0.00 102 E 7.96 3.79 0.00 2.07 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 2.31 2.31 0.00 103 Y 7.40 4.49 0.00 2.87 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 0.00 104 L 7.94 4.52 0.00 1.60 1.69 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.97 3.79 0.00 2.20 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 0.00 2.32 2.32 0.00 106 I 8.10 4.62 2.06 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 1.31 0.51 1.06 0.00 0.00 107 K 8.63 4.45 0.00 1.97 1.74 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.36 7.81 108 R 8.44 4.03 0.00 1.72 1.85 0.00 3.20 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 109 G 9.22 4.05 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 0.00 0.00 0.00 110 D 7.98 4.56 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.52 4.94 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 0.00 112 I 9.02 4.73 2.14 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 1.41 1.32 1.05 0.00 0.00 113 L 8.59 4.63 0.00 1.54 1.66 0.42 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 114 R 9.20 5.20 0.00 1.89 1.79 0.00 3.08 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 115 V 9.29 4.98 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 1.10 0.00 0.00 116 R 9.12 5.11 0.00 1.81 1.94 0.00 3.22 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 117 Q 9.15 5.03 0.00 2.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 118 V 8.32 4.67 1.93 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 0.13 0.00 0.00 0.82 0.00 0.00 119 S 8.05 4.71 0.00 2.72 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.19 5.15 0.00 2.61 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 0.00 121 F 9.31 4.84 0.00 3.36 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 0.00 122 E 8.58 4.11 0.00 2.01 2.11 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 2.42 2.39 0.00 123 N 8.29 4.36 0.00 2.86 3.01 0.00 0.00 6.23 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.55 4.04 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 0.00 0.00 0.00 125 L 10.06 4.27 0.00 1.83 2.08 1.04 1.16 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 0.00 126 P 0.00 4.58 0.00 1.98 1.78 0.00 3.81 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.36 0.00 127 F 7.92 4.95 0.00 2.74 2.45 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 0.00 128 E 6.74 4.68 0.00 1.70 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 1.99 2.07 0.00 129 Y 8.78 5.24 0.00 2.82 2.67 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 0.00 0.00 0.00 0.00 130 V 8.91 4.56 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.74 0.00 0.00 131 R 8.65 4.76 0.00 1.43 1.69 0.00 2.79 0.00 0.00 2.69 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.00 132 T 8.83 4.87 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 0.82 0.00 0.00 133 Q 8.74 5.00 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 134 Y 8.79 4.48 0.00 2.85 2.50 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 0.00 135 A 8.72 4.05 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 0.00 136 G 9.51 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 0.00 0.00 0.00 137 S 9.33 3.55 0.00 4.11 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 0.00 138 R 8.52 4.09 0.00 1.80 2.15 0.00 3.14 0.00 0.00 3.07 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.13 0.00 139 F 7.79 4.21 0.00 3.07 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 0.00 140 E 8.18 4.54 0.00 1.82 1.76 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 2.16 2.25 0.00 141 F 8.29 5.21 0.00 3.05 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 0.00 142 Y 8.66 4.70 0.00 2.92 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 0.00 143 L 7.92 4.65 0.00 1.45 1.39 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.17 4.55 0.00 1.72 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 2.17 2.32 0.00 145 K 8.37 4.16 0.00 1.68 1.58 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.34 7.81 * Residues marked with a * may have inaccurate shift predictions.