NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 L 4.2606 8.1849 120.6276 54.6087 43.0412 175.5943 0 E 4.3338 8.3206 119.6731 55.5012 30.7472 174.4239 1 M 4.8553 7.9405 118.6414 53.8422 36.9543 174.5862 2 S 4.7398 8.4883 116.8982 56.3951 64.9613 174.2643 3 G 3.7928 8.6182 110.6995 46.4365 0.0000 172.1670 4 S 5.2902 8.2862 114.3735 56.3734 65.1879 172.5640 5 F 5.6170 10.0157 125.8067 55.9047 42.6757 173.5180 6 Y 5.1100 9.5486 124.1019 55.9516 41.4465 173.6838 7 F 5.7617 8.8379 129.7653 56.4689 42.3905 174.5312 8 V 4.3850 8.5042 124.5531 60.0478 35.2649 173.6864 9 I 4.5925 8.4375 124.8611 59.7734 39.1913 174.5453 10 V 4.6262 9.0125 128.3060 61.0851 33.5789 176.1765 11 G 4.1447 9.4981 118.0906 44.8288 0.0000 174.0287 12 H 4.2607 8.9651 116.6369 58.6713 28.6674 176.2786 13 H 4.9040 8.4193 116.2378 55.7829 28.9247 175.3859 14 D 4.5895 8.0092 116.2788 55.0374 38.9885 173.2281 15 N 4.7373 7.6105 117.8916 50.5677 38.1337 172.6808 16 P 4.7008 0.0000 0.0000 62.9698 31.8396 176.1509 17 V 4.1523 9.1258 123.8292 63.9530 32.9866 175.0426 18 F 4.9902 7.7212 120.0641 57.5514 42.5139 172.4114 19 E 4.7560 7.2310 123.0161 55.1630 33.7519 174.2696 20 M 4.4266 8.4776 120.7712 54.5882 36.2166 173.0981 21 E 5.0889 8.4589 124.4200 54.8418 32.7851 176.1008 22 F 4.9378 9.6769 121.5908 55.4251 40.9650 173.4841 23 L 5.3579 8.2701 121.9221 52.6875 44.0009 174.8257 24 P 4.4541 0.0000 0.0000 61.9370 31.8836 174.1774 25 P 4.4508 0.0000 0.0000 64.3157 31.5353 177.0408 26 G 3.9675 8.8178 107.4123 45.3584 0.0000 173.2259 27 K 4.3848 7.6312 122.9037 55.2817 33.4765 176.4507 *35 R 4.2333 8.5023 123.7010 56.5426 31.7316 174.5787 36 H 4.1088 7.7824 115.5091 58.3956 28.5930 177.5208 37 L 3.9234 7.6730 121.6712 58.0774 41.9315 178.3123 38 N 3.8804 7.7940 115.8969 56.6260 38.4723 176.9911 39 Q 4.0191 7.3239 117.9937 59.0441 28.7244 179.4068 40 F 4.6214 7.7940 118.6800 60.9051 38.8749 177.8083 41 I 3.6708 8.2054 118.1415 64.3986 37.2069 178.0916 42 A 4.2273 8.4861 122.0335 55.4594 18.4231 178.8641 43 H 4.0211 8.3774 115.3432 59.6079 29.6700 177.4151 44 A 4.0644 8.2849 122.0125 55.0047 18.1846 179.3467 45 A 4.1129 8.0432 118.9186 54.5289 18.3931 179.6181 46 L 3.9578 7.7046 118.0408 58.3629 41.6146 179.1324 47 D 4.5324 7.6220 118.7051 57.5755 40.6908 179.2727 48 L 4.0146 7.8515 118.7774 57.6819 41.7313 179.2475 49 V 3.5807 7.7774 118.1744 66.3024 31.2074 177.6001 50 D 4.4819 8.3622 117.3948 57.5540 41.1200 178.7025 51 E 4.2321 8.0552 118.8595 59.7371 29.1331 179.2396 52 N 4.5336 8.6702 116.9741 56.1940 38.5671 177.4368 53 M 3.9223 8.4139 119.3291 57.9245 31.1248 178.1721 54 W 4.4238 7.6356 116.4084 57.5780 29.4377 176.7704 55 L 4.6580 7.0660 117.2942 54.1070 41.3600 175.9660 56 S 4.5533 7.4129 110.3038 57.6911 65.3251 173.9592 57 N 4.6777 8.6022 122.3647 53.1558 38.7622 174.8240 58 N 4.7102 7.5346 116.1611 52.6122 39.9733 175.3436 59 M 3.8224 8.2753 121.4191 57.6530 33.2863 175.5658 60 Y 5.0714 7.7616 120.4516 57.2852 39.1070 175.0439 61 L 4.2198 9.1567 126.9288 53.6911 42.4807 179.2694 62 K 2.7958 6.6444 119.2015 57.1926 30.9638 173.7282 63 T 4.7291 8.4398 112.4109 62.9330 69.4231 174.6282 64 V 4.4311 8.6714 118.4758 61.7229 34.3814 174.5860 65 D 4.7192 7.9309 118.3848 53.5764 45.2819 173.9277 66 K 4.7150 8.3985 120.5533 55.9188 34.6997 174.6460 67 F 4.9303 9.2216 131.8156 57.2483 40.5639 176.2817 68 N 3.9052 8.1253 129.1832 54.4505 36.8861 177.9354 69 E 3.6922 8.5892 126.9111 58.6783 30.1121 176.2765 70 W 4.7487 7.6668 120.5530 55.8682 29.6152 176.1283 71 F 4.6462 9.4206 124.9886 57.2284 40.1798 175.2271 72 V 5.0297 8.9837 121.0872 61.7265 33.9491 174.5074 73 S 5.9526 9.9673 124.3222 56.3686 65.9128 173.3188 74 A 5.5122 8.6906 122.5248 50.5700 23.2671 174.7864 75 F 4.9414 8.9207 121.1259 56.5763 42.8347 173.4186 76 V 4.3877 8.0067 127.2853 60.9593 33.2592 175.7467 77 T 3.4085 7.9834 118.5072 60.4803 69.6155 175.2918 78 A 3.9385 8.4393 124.8475 55.1823 18.2767 178.6581 79 G 4.1108 8.1375 102.5385 45.9694 0.0000 172.9405 80 H 3.9319 7.8902 114.1095 56.5044 27.1981 175.0495 81 M 4.3547 8.3605 118.1529 55.2819 33.5748 176.0536 82 R 4.8312 8.6624 122.0190 54.6576 32.4608 175.4459 83 F 5.2209 9.5967 125.4070 56.8856 40.2634 175.0181 84 I 5.2583 9.2326 125.6038 59.7438 40.0803 174.6023 85 M 5.5740 9.6289 125.9580 54.0955 35.5704 173.7891 86 L 5.4804 9.8588 127.8647 53.9682 43.3023 175.3487 87 H 5.4272 9.5165 120.1742 53.7934 31.1500 174.4221 88 D 3.8339 8.5142 120.7931 56.0242 41.6804 176.6220 89 V 4.2747 7.1222 116.2406 60.3459 34.2296 175.6382 90 R 3.6094 8.1814 126.2432 56.5745 28.6474 176.3267 91 Q 4.5808 7.9764 130.9257 54.0446 29.3781 175.7811 92 E 4.0401 8.2557 123.3938 60.1348 30.0292 177.5388 93 D 4.4725 8.1143 118.0293 56.9975 41.0172 178.7756 94 G 3.6203 7.8409 107.0671 47.3308 0.0000 175.5894 95 I 3.2631 7.9721 123.0790 63.5049 37.0549 178.4142 96 K 3.0511 7.5774 120.0616 59.4461 31.9895 178.6817 97 N 4.2559 7.9040 117.9611 55.2730 38.2816 177.1437 98 F 3.6803 8.0049 122.4835 61.1743 39.4125 176.8940 99 F 4.3397 7.9594 117.7880 61.1360 38.4349 178.0273 100 T 4.0140 7.6784 108.8611 64.6817 68.5371 176.3908 101 D 4.3124 7.9348 121.9485 57.1530 40.8458 178.8372 102 V 3.3563 7.6116 119.0154 65.7733 31.3288 177.3462 103 Y 4.7392 8.6061 119.9371 61.0257 38.5846 177.9668 104 D 4.1779 8.0582 119.3508 57.1685 40.9041 178.3728 105 L 3.9016 7.7960 120.7185 58.3664 42.0182 178.2496 106 Y 4.2261 8.8174 119.5949 60.9657 38.9051 178.0721 107 I 3.6148 8.2691 120.9058 64.4473 36.9974 178.5138 108 K 3.9241 7.7721 117.7776 59.3427 32.0524 178.8292 109 F 4.0413 8.3706 120.6707 61.2798 39.1561 176.9512 110 A 3.7473 7.9576 118.2851 54.2989 18.1978 178.8034 111 M 4.3062 7.4422 115.7538 55.8614 32.3960 175.9144 112 N 4.2967 7.4790 119.3653 52.8000 39.0982 173.3921 113 P 4.3385 0.0000 0.0000 65.8864 31.0319 177.0182 114 F 4.4310 8.1430 115.0962 57.8878 39.0136 174.5599 115 Y 4.4189 8.1475 123.5336 56.4616 39.5671 174.4867 116 E 4.0396 8.1614 126.8351 55.6616 30.4014 176.3810 117 P 4.1411 0.0000 0.0000 65.4151 32.1642 176.6652 118 N 5.1292 7.6959 113.7378 52.2959 40.0746 174.5515 119 S 4.4710 8.0711 113.5468 56.9560 63.9634 172.0480 120 P 4.6215 0.0000 0.0000 63.1483 31.9505 176.1432 121 I 4.1194 9.1068 127.3969 61.5981 37.2007 176.6749 122 R 4.6199 8.5492 128.8485 55.5087 31.2094 172.4750 123 S 4.5882 8.2836 118.4793 55.4385 65.6887 175.5667 124 S 4.2218 9.0953 124.3819 61.8052 62.6996 176.5322 125 A 4.0485 8.0686 122.9577 54.9470 18.0775 179.3679 126 F 3.8082 8.0891 118.8272 61.5163 39.5142 176.9706 127 D 4.6547 8.4319 118.5721 57.6164 40.7069 178.8979 128 R 3.9634 8.1928 118.9543 59.4943 30.1067 178.7592 129 K 3.9870 7.9357 118.0941 59.3777 31.9418 179.6239 130 V 3.4706 7.8515 118.8306 65.8352 31.2357 177.6109 131 Q 4.2835 8.4468 118.8018 59.3826 29.1319 178.0442 132 F 4.2697 8.3616 121.2991 61.5423 39.5071 176.8436 133 L 3.8882 8.2635 118.5937 57.9722 41.3775 179.9467 134 G 2.7274 8.5830 105.8276 47.3649 0.0000 175.9966 135 K 3.8614 7.5535 120.2540 58.7590 32.1485 179.1700 136 K 3.8678 7.3112 117.3291 58.8751 33.2006 177.7768 137 H 4.5420 7.8623 116.6776 56.6587 29.8211 176.0803 138 L 3.5662 7.0564 119.9897 56.5299 42.1343 178.6463 139 L 4.2014 7.1809 113.7326 55.5584 41.2516 177.5956 140 S 4.2990 7.7184 121.3964 58.6366 63.0228 173.9556 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -1 L 8.18 4.26 0.00 1.65 1.70 0.92 0.61 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 0 E 8.32 4.33 0.00 2.03 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 2.27 2.39 0.00 1 M 7.94 4.86 0.00 1.93 1.88 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 2.48 2.51 0.00 2 S 8.49 4.74 0.00 4.04 3.89 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 3 G 8.62 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 4 S 8.29 5.29 0.00 4.05 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 5 F 10.02 5.62 0.00 3.10 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 6 Y 9.55 5.11 0.00 2.97 2.88 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 7 F 8.84 5.76 0.00 3.23 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 8 V 8.50 4.38 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 0.74 0.00 0.00 0.90 0.00 0.00 9 I 8.44 4.59 1.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.14 0.95 0.00 0.00 10 V 9.01 4.63 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 1.02 0.00 0.00 0.96 0.00 0.00 11 G 9.50 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 0.00 0.00 0.00 12 H 8.97 4.26 0.00 2.96 3.30 0.00 5.66 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 13 H 8.42 4.90 0.00 3.37 3.31 0.00 5.76 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.01 4.59 0.00 2.90 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 15 N 7.61 4.74 0.00 3.03 3.02 0.00 0.00 6.76 7.64 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 16 P 0.00 4.70 0.00 2.21 2.15 0.00 3.80 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 2.02 1.99 0.00 17 V 9.13 4.15 2.28 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 1.01 0.00 0.00 1.13 0.00 0.00 18 F 7.72 4.99 0.00 3.03 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 19 E 7.23 4.76 0.00 1.57 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 20 M 8.48 4.43 0.00 2.31 1.70 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.72 0.00 21 E 8.46 5.09 0.00 1.80 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 2.52 2.40 0.00 22 F 9.68 4.94 0.00 3.05 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 23 L 8.27 5.36 0.00 1.67 1.74 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.45 0.00 2.28 2.28 0.00 3.83 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 2.14 2.02 0.00 25 P 0.00 4.45 0.00 2.22 2.13 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 26 G 8.82 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 27 K 7.63 4.38 0.00 1.77 1.91 0.00 1.90 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.43 7.81 *35 R 8.50 4.23 0.00 1.80 1.96 0.00 3.31 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.23 0.00 36 H 7.78 4.11 0.00 3.00 3.04 0.00 5.59 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.67 3.92 0.00 1.73 1.54 1.05 0.84 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 38 N 7.79 3.88 0.00 2.12 1.42 0.00 0.00 7.09 7.74 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 39 Q 7.32 4.02 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 40 F 7.79 4.62 0.00 2.95 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 41 I 8.21 3.67 1.89 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.67 1.05 0.00 0.00 42 A 8.49 4.23 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 0.00 0.00 43 H 8.38 4.02 0.00 3.40 3.44 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.28 4.06 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 45 A 8.04 4.11 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 0.00 0.00 46 L 7.70 3.96 0.00 1.87 1.74 0.84 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.62 4.53 0.00 2.86 2.76 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 48 L 7.85 4.01 0.00 1.99 1.75 0.97 0.97 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 49 V 7.78 3.58 2.25 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 1.06 0.00 0.00 1.02 0.00 0.00 50 D 8.36 4.48 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 51 E 8.06 4.23 0.00 2.13 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 2.38 2.69 0.00 52 N 8.67 4.53 0.00 2.77 2.86 0.00 0.00 6.87 7.41 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 53 M 8.41 3.92 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.69 0.00 54 W 7.64 4.42 0.00 3.38 3.31 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 55 L 7.07 4.66 0.00 1.69 1.70 0.96 0.80 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 56 S 7.41 4.55 0.00 3.81 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 57 N 8.60 4.68 0.00 2.70 2.78 0.00 0.00 6.97 8.00 0.00 0.00 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 N 7.53 4.71 0.00 2.68 2.72 0.00 0.00 6.94 7.17 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 59 M 8.28 3.82 0.00 0.51 1.60 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.08 0.00 60 Y 7.76 5.07 0.00 3.11 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 61 L 9.16 4.22 0.00 1.65 1.63 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 62 K 6.64 2.80 0.00 1.72 1.52 0.00 1.55 0.00 0.00 1.93 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.83 0.74 7.81 63 T 8.44 4.73 4.47 0.00 0.00 0.00 0.00 0.00 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 64 V 8.67 4.43 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 0.80 0.00 0.00 1.06 0.00 0.00 65 D 7.93 4.72 0.00 2.83 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.40 4.71 0.00 1.58 1.53 0.00 0.69 0.00 0.00 1.21 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.04 7.81 67 F 9.22 4.93 0.00 3.12 3.09 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 68 N 8.13 3.91 0.00 2.41 1.55 0.00 0.00 7.20 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 69 E 8.59 3.69 0.00 1.52 1.70 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 1.48 1.47 0.00 70 W 7.67 4.75 0.00 3.62 3.35 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 71 F 9.42 4.65 0.00 2.66 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 72 V 8.98 5.03 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 1.14 0.00 0.00 73 S 9.97 5.95 0.00 4.11 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 74 A 8.69 5.51 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 75 F 8.92 4.94 0.00 2.25 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 0.00 0.00 0.00 76 V 8.01 4.39 1.65 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 0.51 0.00 0.00 0.69 0.00 0.00 77 T 7.98 3.41 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 78 A 8.44 3.94 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.14 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 80 H 7.89 3.93 0.00 3.25 3.32 0.00 5.67 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 M 8.36 4.35 0.00 1.79 1.68 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.69 0.00 82 R 8.66 4.83 0.00 1.80 1.88 0.00 3.12 0.00 0.00 3.16 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 83 F 9.60 5.22 0.00 2.59 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 84 I 9.23 5.26 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.11 1.14 0.00 0.00 85 M 9.63 5.57 0.00 2.47 2.39 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.59 0.00 86 L 9.86 5.48 0.00 1.88 1.78 0.90 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 87 H 9.52 5.43 0.00 3.07 3.33 0.00 5.28 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 8.51 3.83 0.00 2.77 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.12 4.27 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 0.81 0.00 0.00 0.82 0.00 0.00 90 R 8.18 3.61 0.00 1.47 1.65 0.00 2.98 0.00 0.00 3.01 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.50 0.00 91 Q 7.98 4.58 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 92 E 8.26 4.04 0.00 2.09 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 2.58 2.57 0.00 93 D 8.11 4.47 0.00 2.75 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 94 G 7.84 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 95 I 7.97 3.26 1.85 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.61 0.30 0.00 0.00 96 K 7.58 3.05 0.00 1.48 1.70 0.00 1.69 0.00 0.00 1.61 0.00 0.00 3.19 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.16 0.68 7.81 97 N 7.90 4.26 0.00 2.50 2.60 0.00 0.00 6.18 7.54 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 98 F 8.00 3.68 0.00 2.78 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 99 F 7.96 4.34 0.00 2.89 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 0.00 0.00 0.00 100 T 7.68 4.01 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 0.00 101 D 7.93 4.31 0.00 2.72 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 0.00 102 V 7.61 3.36 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 -0.27 0.00 0.00 103 Y 8.61 4.74 0.00 3.01 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.06 4.18 0.00 3.04 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 0.00 105 L 7.80 3.90 0.00 1.82 1.68 0.14 0.71 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 0.00 106 Y 8.82 4.23 0.00 3.44 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.27 3.61 1.91 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.07 0.85 0.00 0.00 108 K 7.77 3.92 0.00 1.98 1.89 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.53 7.81 109 F 8.37 4.04 0.00 3.24 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 0.00 110 A 7.96 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 M 7.44 4.31 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.51 0.00 112 N 7.48 4.30 0.00 2.58 2.65 0.00 0.00 6.75 8.14 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 0.00 113 P 0.00 4.34 0.00 1.75 2.01 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.87 0.00 114 F 8.14 4.43 0.00 3.16 3.09 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 0.00 115 Y 8.15 4.42 0.00 2.56 2.88 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 0.00 116 E 8.16 4.04 0.00 1.77 1.68 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 2.28 2.16 0.00 117 P 0.00 4.14 0.00 2.17 2.13 0.00 3.54 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.01 0.00 118 N 7.70 5.13 0.00 2.69 2.82 0.00 0.00 6.92 7.57 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 0.00 119 S 8.07 4.47 0.00 3.94 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 0.00 120 P 0.00 4.62 0.00 2.17 2.16 0.00 3.81 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 2.07 2.05 0.00 121 I 9.11 4.12 1.56 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.58 -0.84 0.00 0.00 122 R 8.55 4.62 0.00 1.56 1.73 0.00 3.31 0.00 0.00 3.15 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.15 0.00 123 S 8.28 4.59 0.00 4.08 3.78 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 0.00 124 S 9.10 4.22 0.00 3.96 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 0.00 125 A 8.07 4.05 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 0.00 126 F 8.09 3.81 0.00 2.93 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 0.00 127 D 8.43 4.65 0.00 3.01 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 0.00 128 R 8.19 3.96 0.00 1.97 2.17 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 129 K 7.94 3.99 0.00 1.75 1.68 0.00 1.61 0.00 0.00 1.48 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.58 7.81 130 V 7.85 3.47 2.25 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 1.44 0.00 0.00 0.20 0.00 0.00 131 Q 8.45 4.28 0.00 2.31 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.71 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 132 F 8.36 4.27 0.00 3.11 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 0.00 133 L 8.26 3.89 0.00 1.91 1.66 0.64 0.75 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 0.00 134 G 8.58 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 0.00 0.00 0.00 135 K 7.55 3.86 0.00 1.64 1.73 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.61 7.81 136 K 7.31 3.87 0.00 1.53 1.32 0.00 1.21 0.00 0.00 1.52 0.00 0.00 2.62 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.81 0.80 7.81 137 H 7.86 4.54 0.00 3.12 3.37 0.00 5.60 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 0.00 138 L 7.06 3.57 0.00 0.68 0.13 -1.01 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.18 4.20 0.00 1.50 1.65 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 140 S 7.72 4.30 0.00 3.77 3.63 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 * Residues marked with a * may have inaccurate shift predictions.