NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 H 4.6022 8.4449 117.8490 54.4778 31.4606 172.9730 4 H 3.8745 8.0541 115.0362 56.6927 25.8277 172.6270 5 H 4.5252 7.9702 116.8116 55.1451 30.9819 175.3507 6 H 4.2545 8.7514 121.4948 56.6789 30.2324 174.0150 7 H 4.8253 8.2985 125.2557 54.4718 32.1962 173.3697 8 H 4.4851 8.2172 128.3536 55.6628 31.5597 173.8350 *10 R 4.5296 8.2379 114.9514 56.4874 31.9695 174.8692 11 K 4.7215 9.1088 120.2697 54.7795 36.8147 175.3297 12 I 4.8891 8.0851 124.0477 59.4621 40.8646 173.8737 13 Y 4.6612 8.9715 129.0295 57.6920 39.8852 174.6900 14 I 4.7141 7.8923 128.8587 60.0029 36.4276 174.1259 15 A 4.2380 9.1184 128.0456 49.6190 20.4242 176.7107 16 G 4.5985 8.1910 111.4889 43.7188 0.0000 171.1992 17 P 4.3168 0.0000 0.0000 62.6641 31.4080 177.9646 18 A 3.6493 7.1784 123.7132 55.3111 18.2134 180.7043 19 V 3.4528 7.4042 114.2246 64.4429 31.1070 176.8782 20 F 4.7943 7.4534 116.9989 57.4737 39.2226 175.8246 21 N 4.6175 7.9405 118.9929 52.3993 38.9488 173.1786 22 P 4.3788 0.0000 0.0000 65.8483 31.7716 177.6907 23 D 4.3430 8.0094 117.1910 55.7065 40.2481 178.2035 *25 G 3.5317 7.8201 107.2275 43.5025 0.0000 173.8018 26 A 4.0691 8.0997 123.0382 55.3759 18.3280 180.2000 27 S 4.0519 8.6395 112.8356 61.6681 63.0351 176.0620 28 Y 3.8539 7.7288 122.6552 60.6805 38.6557 177.4610 29 Y 4.1674 8.1816 117.8943 60.9709 37.8999 178.3439 30 N 4.2899 8.6389 117.9925 56.2477 38.6642 177.5637 31 K 3.8298 7.6632 119.3584 59.2098 32.0350 179.5459 32 V 2.8502 7.1920 118.3596 65.8037 31.3475 178.1636 33 R 3.7592 8.0466 118.1166 59.3026 29.6819 178.7186 34 E 3.8653 7.8399 117.7302 59.0206 29.5734 178.3084 35 L 4.0729 7.7468 120.3780 58.2546 42.2215 179.0282 36 L 3.6756 7.8258 119.0004 57.3096 41.6037 179.0733 37 K 3.8617 8.1264 119.7964 59.7200 31.8039 178.8728 38 K 4.1146 7.5962 117.1854 58.5189 31.9393 178.0898 39 E 4.6042 7.9503 116.2477 54.8052 30.1963 175.0735 40 N 4.2297 7.9260 115.8644 54.8572 38.4937 174.1719 41 V 4.8394 7.8849 117.7256 60.1466 32.9750 171.9265 *43 P 4.2359 0.0000 0.0000 62.8019 32.5454 176.5146 44 L 4.5205 9.0168 124.2972 53.4819 43.1075 175.1213 45 I 4.2331 7.8451 125.1749 58.5299 38.8365 175.4117 46 P 4.7790 0.0000 0.0000 64.9267 31.2753 177.1519 47 T 4.2586 7.3370 105.0268 61.4657 69.3474 174.5842 48 D 4.2683 8.0108 123.7799 56.0830 41.4387 176.0516 49 N 4.1057 8.7481 120.6745 54.0023 36.3296 174.5520 50 E 3.8901 8.0032 117.0468 56.1538 30.5227 176.1242 51 A 4.4339 8.3555 129.2818 51.7633 19.9048 176.6718 52 T 4.3127 8.2364 107.9111 62.6878 70.1717 175.5554 53 E 4.4911 7.8497 121.7861 54.5163 31.9474 176.3015 54 A 3.9871 8.5891 125.6066 55.6869 18.4756 180.1482 55 L 3.9216 7.8770 116.6171 57.9146 41.6538 179.4496 56 D 4.3450 7.9873 118.5303 57.2825 40.8785 178.5607 57 I 3.6808 7.7627 120.3601 64.2908 37.0358 178.3996 58 R 3.8013 8.1336 119.5894 59.5853 29.9061 178.3646 59 Q 3.9543 8.2112 119.3202 59.1221 28.8023 178.3090 60 K 3.9832 8.0308 118.7633 59.4868 32.4502 178.8170 61 N 4.5380 8.2228 116.8477 56.3187 38.4417 177.5102 62 I 3.7041 8.0111 121.4747 64.1174 37.2420 179.1744 63 Q 4.2754 8.1445 120.5025 56.0846 28.7773 178.1408 *65 I 3.8694 7.7860 120.3801 60.7799 39.1596 178.3503 66 K 3.9363 8.0086 118.4661 59.4359 31.9132 178.0215 67 D 4.5322 8.0375 117.4154 55.9291 41.1434 176.6072 68 C 4.4949 7.3301 113.9292 57.9026 30.6099 173.0691 69 D 4.6898 8.7294 120.3328 56.2180 41.4092 176.7069 70 A 4.7915 7.6888 117.6732 50.6273 23.3140 174.9570 71 V 4.7812 8.4791 118.8035 61.3222 34.4519 174.4351 72 I 5.0361 8.5606 128.3858 59.7213 39.4188 174.2217 73 A 5.1621 9.2155 130.0787 50.0807 21.4715 174.9420 74 D 3.5311 8.9819 123.9781 52.9268 40.9419 175.4716 75 L 4.5329 7.9633 127.6284 54.5479 42.2725 177.5517 76 S 4.5132 8.1880 115.3233 57.4874 64.2170 172.4129 77 P 4.4101 0.0000 0.0000 63.5081 31.1782 175.6429 78 F 4.6958 8.7452 123.4468 57.3066 41.5742 174.5439 79 R 3.4700 9.0111 128.6231 56.5524 27.7156 175.3294 80 G 3.6081 7.5956 104.1664 45.1012 0.0000 173.6325 81 H 4.5287 8.4844 116.9000 56.6687 29.5352 175.1552 82 E 4.6229 7.8549 119.6604 54.2721 30.7187 174.1262 83 P 5.1139 0.0000 0.0000 61.4901 32.3954 176.2528 84 D 4.5825 8.4130 119.1005 54.5105 42.3755 176.7621 85 C 4.3608 8.9077 122.3002 61.1458 29.8345 176.3444 86 G 3.6180 8.2944 107.9770 48.0532 0.0000 175.5841 87 T 4.2144 8.5244 119.6574 65.6979 68.4635 176.5093 88 A 3.9723 8.1635 122.6190 55.0646 18.3098 179.3059 89 F 4.0161 8.6221 119.4716 61.6904 39.0864 177.2799 90 E 4.0336 8.5958 118.1267 59.3811 29.2222 179.4997 91 V 3.7229 8.2450 118.7912 65.8713 31.5835 178.4013 92 G 3.4341 8.1444 105.5653 47.6507 0.0000 175.0826 93 C 3.8009 7.9686 121.2668 62.2452 31.5240 175.6189 94 A 3.9477 8.0574 121.9497 55.0301 17.9310 179.3852 95 A 3.8996 8.1691 119.1084 55.3992 18.2703 179.8114 96 A 4.0013 7.8585 117.8691 54.6497 18.4372 178.7938 97 L 4.3491 7.3745 114.7137 53.7610 41.9817 176.2716 98 N 4.3744 7.8147 115.0563 54.3978 38.1121 175.1894 99 K 4.4856 7.9521 125.3606 56.7653 32.3597 180.8345 *101 V 4.0976 8.7474 127.4583 63.6320 32.5180 172.9454 102 L 5.1456 9.2104 128.0661 53.1387 44.9235 175.6772 103 T 5.4451 8.8530 112.6683 60.0434 72.5227 172.5060 104 F 6.1360 8.8928 116.8987 55.3953 42.0972 172.8822 105 T 5.0141 8.5784 112.3250 61.0199 69.8568 173.6526 106 S 4.4357 8.9280 120.6785 59.5054 63.5369 173.9963 107 D 4.5083 8.2303 120.5890 53.2748 42.0195 174.6066 108 R 4.3345 8.4514 124.3768 55.9930 30.9903 177.5969 109 R 4.1731 7.7332 118.6205 56.1082 31.8591 178.2921 110 N 5.2171 8.4701 117.6728 52.5119 38.1738 178.8388 *112 R 4.6156 8.5696 124.2459 57.3956 31.9996 177.3757 113 E 3.9676 8.2870 116.4097 59.1888 29.5270 178.9059 114 K 3.9329 7.8571 117.4086 59.6558 31.4538 178.6042 115 Y 4.1539 8.0372 115.1271 58.0723 37.8287 177.0896 116 G 3.7662 8.4515 107.4866 45.3446 0.0000 172.7558 117 S 4.4765 7.1806 109.9008 57.6848 65.8474 176.7173 118 G 3.9805 8.1916 110.4139 46.2636 0.0000 173.6838 119 V 4.8001 7.5529 112.3551 59.3988 35.8630 175.0941 120 D 4.8415 8.5441 122.2087 51.8963 41.2891 177.1944 121 K 4.0568 8.6879 117.2004 59.6414 32.5001 177.1957 122 D 4.6914 8.3700 118.2101 53.6962 40.7989 175.8908 123 N 4.2590 8.1638 115.4919 54.3411 38.0255 173.9230 124 L 4.3629 7.7554 115.9010 53.3805 42.7489 176.2637 125 R 4.4153 8.3580 121.7583 56.3648 30.7509 176.0083 126 V 4.0807 8.2527 124.5795 61.0622 32.3384 175.5281 127 E 4.0796 9.0016 127.3333 56.3380 30.5032 177.0769 128 G 4.2566 8.1647 110.3278 44.6460 0.0000 172.7523 129 F 4.6012 7.9037 112.5114 56.8029 40.3977 176.1250 130 G 3.8848 8.2777 107.3881 46.7096 0.0000 173.8411 131 L 4.5614 7.5074 117.7390 51.6324 44.7857 175.8482 132 P 4.8090 0.0000 0.0000 63.6230 31.7560 175.3341 133 F 4.8213 7.0861 112.2804 55.3957 40.3222 172.6531 134 N 4.5472 9.3473 117.8410 53.3909 39.4859 175.7072 135 L 4.2926 8.9383 128.4569 55.8223 38.6736 178.2024 *137 L 4.2488 7.5572 115.7393 54.8799 44.1900 176.4918 138 Y 4.8670 8.1296 121.4179 55.8782 40.1870 175.2095 139 D 4.7046 8.4583 124.7762 52.8671 40.0533 176.5371 140 G 3.6586 6.2457 108.6145 44.4925 0.0000 174.6523 141 V 3.6292 7.1210 119.4331 61.8422 32.0886 175.2354 142 E 3.6684 8.4405 126.5124 56.6860 29.6731 176.5889 143 V 3.8089 8.0625 125.3096 62.1536 31.9076 175.7878 144 F 4.6870 8.8049 126.6970 57.3030 39.7529 176.1055 145 D 5.0990 8.6736 120.5306 55.1523 41.6587 177.0488 146 S 4.3859 7.7703 113.5564 55.9427 67.1487 175.4269 147 F 3.2203 7.5425 123.9411 61.2236 38.9547 176.9753 148 E 4.0964 8.1070 117.8620 59.5342 29.2263 179.3923 149 S 4.0526 8.0662 114.0783 61.2505 63.0713 176.4016 150 A 2.5800 7.4253 123.8842 54.4232 18.0479 179.3766 151 F 4.2062 8.0174 119.4875 61.2935 39.3661 177.4465 152 K 3.7490 8.2096 118.4251 59.4517 31.8857 178.5914 153 Y 3.9031 7.5692 119.6129 60.4969 38.6167 177.7552 154 F 4.1443 8.2166 121.5505 61.5551 39.2808 177.1488 155 L 3.7701 7.6731 116.8376 57.6381 41.4067 179.1254 156 A 4.0299 7.6627 119.7625 53.8456 18.4238 177.6940 157 N 4.6600 7.4118 111.4995 52.9837 40.3460 174.9172 158 F 4.2593 7.7729 120.3084 55.2479 39.1244 172.0844 159 P 4.4576 0.0000 0.0000 61.7046 32.5529 177.6602 160 S 4.3762 8.4680 114.0656 59.0689 62.7353 174.4608 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 H 8.44 4.60 0.00 3.17 3.50 0.00 5.84 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 8.05 3.87 0.00 3.32 3.33 0.00 5.89 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 5 H 7.97 4.53 0.00 3.15 3.29 0.00 5.90 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 6 H 8.75 4.25 0.00 3.15 3.27 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.30 4.83 0.00 3.06 3.12 0.00 5.97 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 8 H 8.22 4.49 0.00 3.16 3.22 0.00 6.01 0.00 0.00 0.00 0.00 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *10 R 8.24 4.53 0.00 2.03 2.15 0.00 3.47 0.00 0.00 3.63 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 11 K 9.11 4.72 0.00 1.66 1.63 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.38 7.81 12 I 8.09 4.89 1.69 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 0.42 0.09 0.80 0.00 0.00 13 Y 8.97 4.66 0.00 3.05 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 14 I 7.89 4.71 1.76 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.90 1.17 0.00 0.00 15 A 9.12 4.24 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 16 G 8.19 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.32 0.00 1.82 1.49 0.00 3.46 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.72 0.00 18 A 7.18 3.65 0.53 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 19 V 7.40 3.45 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 -0.32 0.00 0.00 0.72 0.00 0.00 20 F 7.45 4.79 0.00 3.29 3.17 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 21 N 7.94 4.62 0.00 2.82 2.74 0.00 0.00 6.92 8.86 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 22 P 0.00 4.38 0.00 2.04 2.15 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 23 D 8.01 4.34 0.00 2.82 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *25 G 7.82 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 0.00 0.00 0.00 26 A 8.10 4.07 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 4.05 0.00 4.03 4.18 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 0.00 0.00 0.00 0.00 28 Y 7.73 3.85 0.00 2.83 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 29 Y 8.18 4.17 0.00 2.94 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 30 N 8.64 4.29 0.00 2.83 2.81 0.00 0.00 6.97 7.23 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 31 K 7.66 3.83 0.00 1.65 1.62 0.00 1.58 0.00 0.00 1.49 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.49 7.81 32 V 7.19 2.85 1.78 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 0.62 0.00 0.00 -0.64 0.00 0.00 33 R 8.05 3.76 0.00 1.92 1.89 0.00 3.13 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 34 E 7.84 3.87 0.00 2.00 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 2.28 2.28 0.00 35 L 7.75 4.07 0.00 1.80 1.56 1.02 0.70 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 36 L 7.83 3.68 0.00 1.69 1.82 -0.07 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.13 3.86 0.00 2.00 1.96 0.00 1.52 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.54 7.81 38 K 7.60 4.11 0.00 2.02 1.92 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.66 7.81 39 E 7.95 4.60 0.00 2.23 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 2.53 2.62 0.00 40 N 7.93 4.23 0.00 2.90 2.93 0.00 0.00 6.89 7.24 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 41 V 7.88 4.84 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 0.88 0.00 0.00 1.33 0.00 0.00 *43 P 0.00 4.24 0.00 2.00 1.95 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.88 0.00 44 L 9.02 4.52 0.00 1.73 1.78 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.85 4.23 1.71 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.51 -0.22 0.00 0.00 46 P 0.00 4.78 0.00 1.96 2.25 0.00 3.34 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.82 0.00 47 T 7.34 4.26 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 1.25 0.00 0.00 48 D 8.01 4.27 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 N 8.75 4.11 0.00 2.77 2.82 0.00 0.00 6.99 7.66 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 50 E 8.00 3.89 0.00 2.13 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 2.28 2.29 0.00 51 A 8.36 4.43 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 52 T 8.24 4.31 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 1.21 0.00 0.00 53 E 7.85 4.49 0.00 2.19 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 2.34 2.36 0.00 54 A 8.59 3.99 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 55 L 7.88 3.92 0.00 1.69 1.73 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 56 D 7.99 4.34 0.00 2.84 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 57 I 7.76 3.68 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.72 0.91 0.00 0.00 58 R 8.13 3.80 0.00 1.79 2.05 0.00 2.94 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.50 0.00 59 Q 8.21 3.95 0.00 2.31 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 60 K 8.03 3.98 0.00 1.91 1.86 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.62 7.81 61 N 8.22 4.54 0.00 3.01 2.93 0.00 0.00 7.02 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.01 3.70 2.02 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 1.57 0.83 0.91 0.00 0.00 63 Q 8.14 4.28 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.39 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 *65 I 7.79 3.87 1.79 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 -0.36 0.79 0.00 0.00 66 K 8.01 3.94 0.00 1.88 1.86 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.53 7.81 67 D 8.04 4.53 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 68 C 7.33 4.49 0.00 3.21 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 69 D 8.73 4.69 0.00 2.39 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 70 A 7.69 4.79 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 71 V 8.48 4.78 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 1.28 0.00 0.00 1.06 0.00 0.00 72 I 8.56 5.04 1.85 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.00 0.75 0.00 0.00 73 A 9.22 5.16 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 74 D 8.98 3.53 0.00 2.53 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.96 4.53 0.00 1.43 1.14 0.18 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.19 4.51 0.00 3.79 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 77 P 0.00 4.41 0.00 2.23 2.13 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 78 F 8.75 4.70 0.00 2.86 2.97 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 79 R 9.01 3.47 0.00 1.55 1.66 0.00 2.69 0.00 0.00 2.88 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.50 0.00 80 G 7.60 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 81 H 8.48 4.53 0.00 2.93 3.20 0.00 5.69 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 82 E 7.85 4.62 0.00 2.10 1.96 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 2.55 2.39 0.00 83 P 0.00 5.11 0.00 1.96 1.88 0.00 3.81 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.19 0.00 84 D 8.41 4.58 0.00 2.21 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 C 8.91 4.36 0.00 3.25 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 86 G 8.29 3.62 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 0.00 0.00 0.00 87 T 8.52 4.21 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 88 A 8.16 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.62 4.02 0.00 3.17 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 90 E 8.60 4.03 0.00 2.44 2.23 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 2.54 2.71 0.00 91 V 8.25 3.72 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 0.98 0.00 0.00 0.99 0.00 0.00 92 G 8.14 3.43 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 0.00 93 C 7.97 3.80 0.00 2.66 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.06 3.95 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 95 A 8.17 3.90 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 96 A 7.86 4.00 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 97 L 7.37 4.35 0.00 1.74 1.69 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 98 N 7.81 4.37 0.00 2.90 2.91 0.00 0.00 6.91 7.72 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 99 K 7.95 4.49 0.00 1.76 1.08 0.00 1.91 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.53 7.81 *101 V 8.75 4.10 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 0.82 0.00 0.00 1.00 0.00 0.00 102 L 9.21 5.15 0.00 1.65 1.65 1.21 0.39 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 0.00 103 T 8.85 5.45 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 1.25 0.00 0.00 104 F 8.89 6.14 0.00 3.37 3.33 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 0.00 105 T 8.58 5.01 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 1.38 0.00 0.00 106 S 8.93 4.44 0.00 4.13 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 0.00 107 D 8.23 4.51 0.00 2.64 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 8.45 4.33 0.00 1.82 1.91 0.00 3.56 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 109 R 7.73 4.17 0.00 1.86 1.92 0.00 3.11 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 110 N 8.47 5.22 0.00 2.71 2.14 0.00 0.00 6.88 8.46 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 *112 R 8.57 4.62 0.00 1.90 2.02 0.00 3.36 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 113 E 8.29 3.97 0.00 2.09 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 2.30 2.38 0.00 114 K 7.86 3.93 0.00 1.61 1.30 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.22 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.58 7.81 115 Y 8.04 4.15 0.00 2.99 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 0.00 116 G 8.45 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 0.00 117 S 7.18 4.48 0.00 3.82 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 0.00 118 G 8.19 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 0.00 119 V 7.55 4.80 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 0.76 0.00 0.00 0.92 0.00 0.00 120 D 8.54 4.84 0.00 2.93 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 0.00 0.00 0.00 0.00 121 K 8.69 4.06 0.00 1.91 2.05 0.00 1.57 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.49 7.81 122 D 8.37 4.69 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 0.00 123 N 8.16 4.26 0.00 2.84 2.89 0.00 0.00 7.08 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 0.00 124 L 7.76 4.36 0.00 1.95 1.51 0.91 0.93 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 0.00 125 R 8.36 4.42 0.00 1.68 1.85 0.00 3.19 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 126 V 8.25 4.08 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 0.71 0.00 0.00 0.42 0.00 0.00 127 E 9.00 4.08 0.00 2.09 2.20 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 2.56 2.41 0.00 128 G 8.16 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 0.00 0.00 0.00 0.00 129 F 7.90 4.60 0.00 2.96 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 0.00 130 G 8.28 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 0.00 0.00 0.00 131 L 7.51 4.56 0.00 1.57 1.23 0.77 -0.02 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 0.00 132 P 0.00 4.81 0.00 1.77 2.06 0.00 2.64 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.29 0.00 133 F 7.09 4.82 0.00 3.08 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 0.00 134 N 9.35 4.55 0.00 2.79 2.91 0.00 0.00 7.37 7.78 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 0.00 135 L 8.94 4.29 0.00 1.77 1.73 0.76 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 *137 L 7.56 4.25 0.00 1.76 1.48 0.68 0.76 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 0.00 138 Y 8.13 4.87 0.00 3.18 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 0.00 139 D 8.46 4.70 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 6.25 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 0.00 0.00 0.00 141 V 7.12 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 0.37 0.00 0.00 0.92 0.00 0.00 142 E 8.44 3.67 0.00 1.77 1.18 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 0.00 1.73 2.13 0.00 143 V 8.06 3.81 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 1.02 0.00 0.00 1.06 0.00 0.00 144 F 8.80 4.69 0.00 3.42 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 0.00 145 D 8.67 5.10 0.00 2.78 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 0.00 146 S 7.77 4.39 0.00 4.02 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 0.00 147 F 7.54 3.22 0.00 2.75 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 0.00 148 E 8.11 4.10 0.00 2.11 2.04 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 2.44 2.52 0.00 149 S 8.07 4.05 0.00 4.19 4.18 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 0.00 0.00 0.00 0.00 150 A 7.43 2.58 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 0.00 0.00 0.00 0.00 0.00 151 F 8.02 4.21 0.00 2.70 3.12 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 0.00 152 K 8.21 3.75 0.00 1.94 1.79 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.66 7.81 153 Y 7.57 3.90 0.00 2.86 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 0.00 154 F 8.22 4.14 0.00 3.27 3.18 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 0.00 0.00 0.00 0.00 155 L 7.67 3.77 0.00 1.55 1.53 0.47 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 156 A 7.66 4.03 1.15 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 0.00 157 N 7.41 4.66 0.00 2.42 2.60 0.00 0.00 6.68 7.33 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 0.00 158 F 7.77 4.26 0.00 2.36 1.53 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 0.00 159 P 0.00 4.46 0.00 2.14 1.93 0.00 3.49 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.84 0.00 160 S 8.47 4.38 0.00 3.93 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 * Residues marked with a * may have inaccurate shift predictions.