NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6734 8.3649 120.2919 53.2311 40.6639 174.3723 6 F 4.6980 8.4937 121.5170 54.7781 42.8794 170.8365 7 E 3.9230 9.5464 122.4388 59.6233 30.3604 173.9649 8 E 3.8856 8.3426 122.6285 55.7017 30.4793 173.2804 9 K 4.5715 9.1468 125.3078 55.2068 35.6665 173.6642 10 M 4.8779 8.4810 125.2082 54.5683 33.0484 175.5066 11 I 4.1728 8.4878 126.9243 63.0275 38.4451 176.0852 12 L 4.9432 7.7628 121.9737 53.3484 45.7573 175.3563 13 I 5.8726 8.4539 123.9019 59.2411 41.2977 174.5011 14 R 4.6575 8.5784 119.7446 55.3606 32.5365 173.1845 15 R 4.5457 8.4944 121.5700 54.6638 31.3356 175.5423 16 T 4.6724 8.4609 120.9766 61.8317 70.9092 174.1636 17 A 4.9242 7.6418 127.4596 51.8442 22.8076 176.4945 18 R 4.5845 7.8528 116.5003 54.4312 32.6752 175.0697 19 M 4.4203 8.7940 122.0147 55.0830 33.3226 175.6422 20 Q 4.6062 8.7705 121.7797 56.8538 33.1432 172.7240 21 A 3.7384 7.9542 126.6484 51.3291 19.1491 176.4965 22 G 4.1149 8.7290 111.6906 43.6609 0.0000 174.2443 23 G 3.8189 6.5665 105.6338 45.7747 0.0000 170.4862 24 R 4.6698 8.0415 118.6182 54.3187 31.4973 175.4499 25 R 4.1236 8.1295 124.7364 55.1950 31.8283 175.6552 26 F 5.0770 8.4586 123.9609 56.4375 41.9038 174.1705 27 R 4.8714 8.0624 117.7306 55.7080 33.6599 173.2110 28 F 5.2453 9.0703 120.8362 55.6201 42.7760 174.4630 29 G 4.4857 9.8283 111.5239 45.0555 0.0000 172.6468 30 A 5.2693 8.5837 124.8339 50.1243 22.1800 174.5326 31 L 5.1653 9.5001 125.6476 54.4621 43.8997 175.5618 32 V 4.9458 9.0206 126.2909 61.1606 35.1873 174.2801 33 V 4.8057 9.4375 127.7831 61.4286 34.4599 174.6662 34 V 4.6407 8.4794 125.2835 61.4489 34.9090 174.2157 35 G 5.1960 8.9326 113.3559 44.8860 0.0000 172.2585 36 D 5.1312 8.9885 117.3709 52.4456 41.1180 176.7403 37 R 4.1181 8.4212 117.2111 57.6232 26.5763 176.2736 38 Q 4.5117 9.5659 113.4526 55.5609 30.4487 175.9885 39 G 3.9819 9.1047 105.7031 45.3643 0.0000 174.5923 40 R 4.7341 7.9831 118.3817 53.5994 33.8099 174.6617 41 V 5.4206 7.6782 116.4436 58.8581 36.5176 174.8681 42 G 4.9772 8.3182 109.1659 43.6632 0.0000 170.8131 43 L 5.3631 8.5620 123.7490 53.1732 44.8120 175.7666 44 G 4.4708 8.9382 111.0499 44.9385 0.0000 171.2162 45 F 5.8033 9.0750 125.7522 56.2360 42.0736 174.4856 46 G 4.2047 8.9333 112.2995 44.4746 0.0000 171.4797 47 K 5.9179 8.8945 120.9818 53.0420 35.8011 175.2332 48 A 4.6019 8.4437 125.0648 51.4140 20.8961 175.8586 49 P 4.3571 0.0000 0.0000 65.0878 32.1037 176.9593 50 E 4.4110 7.7954 116.6815 54.0966 33.5795 175.2040 51 V 3.1951 7.6103 121.9603 65.7629 30.7418 176.2206 52 P 4.1699 0.0000 0.0000 65.9085 31.6173 178.2332 53 L 4.1303 7.2838 116.2444 58.1775 41.7901 178.7523 54 A 4.1696 8.1654 120.5936 54.3200 18.6949 179.7583 55 V 3.5151 7.5272 116.4097 66.1294 31.7773 177.6461 56 Q 3.9536 9.2101 119.8752 59.2930 28.7594 178.2683 57 K 3.8250 8.0970 120.1850 59.6243 32.1759 178.4343 58 A 4.3771 8.6086 121.4394 55.1985 18.1372 179.8499 59 G 3.6317 8.3788 104.4981 47.9139 0.0000 175.0914 60 Y 4.0232 7.6457 120.9849 60.9850 39.0849 177.8599 61 Y 4.2455 7.8547 117.0821 60.8778 37.7684 177.8249 62 A 4.0348 8.3787 121.4298 55.5154 18.7645 179.3647 63 R 3.9713 7.7023 115.8648 58.4522 30.2448 178.8442 64 R 3.8848 7.7088 117.7716 57.5538 30.4972 175.8557 65 N 4.9984 7.2088 115.4890 52.1936 42.0244 173.2288 66 M 4.9278 8.3313 121.2620 57.0673 35.6750 173.6421 67 V 4.3990 7.5637 116.7837 61.2266 33.7260 174.0009 68 E 3.9199 9.0091 118.1618 58.5246 30.0638 178.2034 69 V 3.1245 7.3411 115.6644 63.5543 28.9132 172.1464 70 P 4.4640 0.0000 0.0000 62.8022 29.7078 176.5602 71 L 4.4620 7.8816 122.3078 54.3691 43.0564 177.2671 72 Q 4.1921 9.0522 116.9578 56.4341 31.8299 174.1135 73 N 4.0919 9.9111 121.2009 54.4482 37.5665 174.7751 74 G 3.9423 8.7805 102.1736 46.2056 0.0000 172.9645 75 T 4.8756 7.7083 113.4142 59.9006 70.9055 172.7287 76 I 4.4049 8.0230 123.7956 59.8481 38.0524 174.8367 77 P 4.4065 0.0000 0.0000 65.6294 31.2572 175.4846 78 H 4.9431 7.6022 111.2146 53.5410 31.5295 171.3083 79 E 5.4465 8.8265 117.8077 54.9448 31.1924 175.8052 80 I 4.6787 7.8766 114.5706 59.8450 41.2512 172.9916 81 E 5.1770 8.7166 122.3356 54.6858 32.5319 175.6334 82 V 4.4195 8.8977 123.1211 61.3021 35.3448 174.1736 83 E 4.6457 9.0192 127.1934 54.6698 29.8106 175.0214 84 F 4.5577 8.9704 127.3931 57.2630 39.3033 175.9249 85 G 3.7303 8.1484 119.3966 45.8000 0.0000 172.4396 86 A 4.3233 8.3927 126.4182 52.5186 19.0372 176.3154 87 S 5.2716 7.7648 114.9933 57.3621 64.3432 173.5395 88 K 5.1584 8.5323 125.3695 55.0437 35.5962 174.2885 89 I 4.7282 8.2656 122.1300 60.1341 41.8367 173.5945 90 V 4.9905 8.5077 119.1452 59.5661 36.1419 174.9175 91 L 4.9415 9.3528 122.5742 53.1393 45.2421 175.9128 92 K 4.8541 9.3329 124.7513 53.3860 35.1586 174.3127 93 P 4.5657 0.0000 0.0000 63.0687 31.5487 175.6894 94 A 4.8685 8.1314 125.2018 49.3764 21.8150 175.7060 95 A 4.0292 8.6397 122.2359 51.5003 18.8625 175.9428 96 P 4.5822 0.0000 0.0000 62.7250 31.7875 176.2224 97 G 4.1349 8.5508 105.7545 46.9689 0.0000 175.1274 98 T 3.9869 8.2859 117.4219 64.9302 69.0313 176.3657 99 G 4.1512 8.3619 106.0157 43.7838 0.0000 171.8333 100 V 4.3604 7.9779 119.3127 61.4904 32.5440 175.2430 101 I 4.3927 8.2847 122.5897 60.0030 38.9224 174.2748 102 A 4.5991 8.2015 128.2539 51.6921 22.2005 174.8914 103 G 4.0161 8.6119 105.5304 44.6636 0.0000 176.3065 104 A 3.6899 7.7080 123.4160 54.2071 19.2533 179.5134 105 V 3.8364 7.2918 115.6862 64.5777 31.8120 175.9062 106 P 4.2759 0.0000 0.0000 65.5486 30.9403 178.5242 107 R 3.8040 8.0209 118.7479 59.5312 30.0561 178.0156 108 A 3.9821 7.6291 119.7859 55.2405 18.0038 179.8284 109 I 3.7376 7.3011 117.3914 64.7356 37.6241 178.4903 110 L 4.1705 7.7990 118.9561 57.4567 41.2593 179.1217 111 E 3.9870 8.5337 119.6058 59.2855 29.4755 178.6607 112 L 4.2431 7.7493 115.3839 56.1097 42.4336 179.3147 113 A 3.9621 7.9338 123.6723 56.1372 18.7190 178.7241 114 G 4.0047 7.6407 103.5269 46.1222 0.0000 173.5341 115 V 4.6731 7.5323 118.8165 61.2145 34.1391 174.7921 116 T 4.6819 8.9702 109.2485 61.8902 73.2621 172.4908 117 D 5.0813 7.8763 121.9723 52.0695 42.4994 173.8438 118 I 4.5773 8.4805 121.9211 59.4077 42.4937 172.6960 119 L 5.1875 9.2589 128.5287 53.2697 44.0346 175.6426 120 T 5.2798 8.2552 112.4990 59.7982 72.3930 173.0916 121 K 4.5980 8.4949 123.1476 54.8973 36.6493 174.7720 122 E 4.4878 8.8142 125.9720 55.2212 30.9542 175.2888 123 L 4.5314 8.2779 124.4295 52.7896 44.5625 178.5758 124 G 3.7545 8.6090 108.7110 47.0987 0.0000 175.4073 125 S 4.3775 8.9340 120.7447 57.5721 62.6108 173.9157 126 R 4.4203 8.4850 125.0239 55.4384 30.1740 175.7997 127 N 4.0445 7.7437 117.7456 53.8124 38.6697 172.5772 128 P 3.9856 0.0000 0.0000 65.9908 31.3982 178.2199 129 I 3.1489 7.3234 117.4093 64.7471 37.4188 177.9642 130 N 4.6927 8.2734 116.6748 56.3840 38.4180 177.3231 131 I 3.7110 7.7756 118.5803 64.3211 38.0523 177.3382 132 A 4.0250 8.0891 121.8044 55.0527 18.4484 178.9198 133 Y 4.1610 7.6496 114.1225 61.1682 37.8550 179.3665 134 A 3.9991 8.0603 121.6438 55.2799 18.6519 179.6223 135 T 3.8529 8.0477 114.4531 67.3974 68.3379 176.2060 136 M 4.0777 7.9503 120.3304 57.9943 31.9529 177.9291 137 E 3.9740 7.9800 118.4035 58.5835 30.2552 178.9609 138 A 4.2145 7.6763 121.5218 54.5175 18.7866 179.4300 139 L 3.9014 7.8531 115.7409 57.8302 41.7895 179.7474 140 R 3.8913 7.9264 116.1021 58.1221 30.1074 176.3860 141 Q 4.5842 7.6429 114.4806 56.0674 30.0717 175.6475 142 L 4.3765 8.6115 119.6806 54.8894 42.2781 176.3016 143 R 4.7730 8.3202 118.0531 55.0746 34.4324 174.6694 144 T 4.6935 8.8795 109.7457 59.1641 71.4793 175.0725 145 K 3.8144 8.7993 123.4648 59.8951 31.9125 177.9155 146 A 4.1665 8.3751 120.8611 53.6855 17.8091 177.8846 147 D 4.4314 6.5305 123.5987 54.8048 40.4014 179.3635 148 V 3.7030 7.7353 120.3168 66.2151 31.8325 177.3234 149 E 4.2571 8.1801 116.5675 57.5996 29.3039 178.1359 150 R 4.2822 7.8390 118.1038 57.3672 30.4658 176.7928 151 L 4.5589 7.5410 116.1522 54.9019 42.9157 176.6893 152 R 4.8115 7.1660 117.0950 55.6973 31.7820 177.6555 153 K 4.6607 7.4405 129.9572 55.0599 31.5228 178.4553 154 G 3.2220 9.1299 115.0412 47.0851 0.0000 173.7984 *155 E 4.1319 7.7796 118.3004 56.1553 30.4399 177.6322 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 5 D 8.36 4.67 0.00 2.78 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 6 F 8.49 4.70 0.00 3.01 3.28 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 7 E 9.55 3.92 0.00 1.97 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 0.00 2.36 2.33 0.00 8 E 8.34 3.89 0.00 2.18 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 2.23 2.31 0.00 9 K 9.15 4.57 0.00 1.74 1.58 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.39 7.81 10 M 8.48 4.88 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.62 0.00 11 I 8.49 4.17 1.84 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 1.11 0.68 0.92 0.00 0.00 12 L 7.76 4.94 0.00 1.60 1.41 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.45 5.87 1.94 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 1.11 1.22 1.08 0.00 0.00 14 R 8.58 4.66 0.00 1.86 2.02 0.00 2.96 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 15 R 8.49 4.55 0.00 1.21 1.55 0.00 2.21 0.00 0.00 2.63 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.50 0.00 16 T 8.46 4.67 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 1.25 0.00 0.00 17 A 7.64 4.92 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 0.00 0.00 0.00 0.00 0.00 18 R 7.85 4.58 0.00 1.80 1.94 0.00 2.73 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 19 M 8.79 4.42 0.00 1.88 2.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.43 0.00 20 Q 8.77 4.61 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.55 0.00 0.00 0.00 0.00 0.00 2.08 2.20 0.00 21 A 7.95 3.74 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 22 G 8.73 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 23 G 6.57 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 0.00 0.00 0.00 24 R 8.04 4.67 0.00 1.38 1.74 0.00 3.12 0.00 0.00 3.14 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.19 0.00 25 R 8.13 4.12 0.00 1.78 1.71 0.00 3.04 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 26 F 8.46 5.08 0.00 2.87 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 27 R 8.06 4.87 0.00 1.89 1.72 0.00 3.13 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 28 F 9.07 5.25 0.00 3.10 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 29 G 9.83 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.58 5.27 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 31 L 9.50 5.17 0.00 1.64 1.66 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 32 V 9.02 4.95 2.16 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 0.96 0.00 0.00 1.01 0.00 0.00 33 V 9.44 4.81 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 0.66 0.00 0.00 0.92 0.00 0.00 34 V 8.48 4.64 1.94 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 0.47 0.00 0.00 0.92 0.00 0.00 35 G 8.93 5.20 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 36 D 8.99 5.13 0.00 2.84 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 37 R 8.42 4.12 0.00 2.05 2.19 0.00 3.17 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 38 Q 9.57 4.51 0.00 2.30 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.06 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 39 G 9.10 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 40 R 7.98 4.73 0.00 2.15 1.87 0.00 3.44 0.00 0.00 3.65 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 41 V 7.68 5.42 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 1.04 0.00 0.00 0.90 0.00 0.00 42 G 8.32 4.98 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 43 L 8.56 5.36 0.00 1.64 1.60 0.99 0.95 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 44 G 8.94 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 0.00 0.00 0.00 0.00 45 F 9.07 5.80 0.00 2.93 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 46 G 8.93 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 47 K 8.89 5.92 0.00 1.52 1.73 0.00 1.44 0.00 0.00 2.21 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 0.71 7.81 48 A 8.44 4.60 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 49 P 0.00 4.36 0.00 2.10 2.26 0.00 3.66 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 2.08 2.18 0.00 50 E 7.80 4.41 0.00 1.96 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 0.00 2.15 2.21 0.00 51 V 7.61 3.20 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 1.03 0.00 0.00 0.28 0.00 0.00 52 P 0.00 4.17 0.00 2.13 2.07 0.00 3.53 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 53 L 7.28 4.13 0.00 1.72 1.77 0.90 1.07 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 54 A 8.17 4.17 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.53 3.52 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 1.13 0.00 0.00 0.99 0.00 0.00 56 Q 9.21 3.95 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 57 K 8.10 3.83 0.00 2.04 2.03 0.00 1.72 0.00 0.00 1.90 0.00 0.00 3.24 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.75 1.44 7.81 58 A 8.61 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.38 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 0.00 0.00 0.00 60 Y 7.65 4.02 0.00 2.83 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 61 Y 7.85 4.25 0.00 3.11 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 62 A 8.38 4.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.70 3.97 0.00 1.77 1.91 0.00 3.08 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 64 R 7.71 3.88 0.00 1.73 2.19 0.00 3.29 0.00 0.00 3.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.75 0.00 65 N 7.21 5.00 0.00 2.89 2.71 0.00 0.00 6.84 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 66 M 8.33 4.93 0.00 1.91 1.86 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 67 V 7.56 4.40 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 0.79 0.00 0.00 0.96 0.00 0.00 68 E 9.01 3.92 0.00 2.10 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 0.00 2.27 2.30 0.00 69 V 7.34 3.12 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 0.79 0.00 0.00 0.98 0.00 0.00 70 P 0.00 4.46 0.00 2.09 2.03 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 71 L 7.88 4.46 0.00 1.64 1.60 0.92 0.98 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 72 Q 9.05 4.19 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.21 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 73 N 9.91 4.09 0.00 2.85 2.87 0.00 0.00 7.39 7.98 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 74 G 8.78 3.94 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 0.00 0.00 0.00 75 T 7.71 4.88 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 1.28 0.00 0.00 76 I 8.02 4.40 1.85 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 1.45 0.64 0.92 0.00 0.00 77 P 0.00 4.41 0.00 2.36 2.22 0.00 3.69 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 78 H 7.60 4.94 0.00 3.23 3.29 0.00 5.51 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 79 E 8.83 5.45 0.00 1.86 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 2.25 2.20 0.00 80 I 7.88 4.68 1.88 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 1.30 0.68 0.85 0.00 0.00 81 E 8.72 5.18 0.00 1.84 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 0.00 2.20 2.27 0.00 82 V 8.90 4.42 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 1.09 0.00 0.00 1.00 0.00 0.00 83 E 9.02 4.65 0.00 1.98 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 2.22 2.27 0.00 84 F 8.97 4.56 0.00 3.11 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 85 G 8.15 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 0.00 0.00 0.00 86 A 8.39 4.32 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 87 S 7.76 5.27 0.00 4.01 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 88 K 8.53 5.16 0.00 1.85 1.76 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.44 7.81 89 I 8.27 4.73 1.89 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 1.23 1.34 0.98 0.00 0.00 90 V 8.51 4.99 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 0.84 0.00 0.00 1.03 0.00 0.00 91 L 9.35 4.94 0.00 1.43 1.51 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.33 4.85 0.00 1.60 1.69 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.34 7.81 93 P 0.00 4.57 0.00 2.07 2.22 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 94 A 8.13 4.87 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 95 A 8.64 4.03 1.26 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 96 P 0.00 4.58 0.00 2.05 2.00 0.00 3.88 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 2.03 2.15 0.00 97 G 8.55 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 0.00 0.00 0.00 0.00 98 T 8.29 3.99 4.27 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 1.21 0.00 0.00 99 G 8.36 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 V 7.98 4.36 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 0.84 0.00 0.00 0.95 0.00 0.00 101 I 8.28 4.39 1.87 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 1.24 1.22 0.91 0.00 0.00 102 A 8.20 4.60 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 0.00 103 G 8.61 4.02 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 0.00 0.00 0.00 104 A 7.71 3.69 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 0.00 105 V 7.29 3.84 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 1.02 0.00 0.00 0.89 0.00 0.00 106 P 0.00 4.28 0.00 2.29 2.30 0.00 3.85 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 2.27 2.03 0.00 107 R 8.02 3.80 0.00 1.91 2.12 0.00 3.11 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 108 A 7.63 3.98 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 0.00 109 I 7.30 3.74 1.99 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 1.50 0.55 0.89 0.00 0.00 110 L 7.80 4.17 0.00 1.72 1.71 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.53 3.99 0.00 2.00 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 0.00 2.33 2.61 0.00 112 L 7.75 4.24 0.00 1.76 1.73 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.93 3.96 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 0.00 0.00 0.00 0.00 0.00 114 G 7.64 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 0.00 115 V 7.53 4.67 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 0.92 0.00 0.00 0.96 0.00 0.00 116 T 8.97 4.68 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 0.00 117 D 7.88 5.08 0.00 2.57 2.93 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 0.00 118 I 8.48 4.58 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 1.22 1.10 0.91 0.00 0.00 119 L 9.26 5.19 0.00 1.84 1.53 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.26 5.28 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 0.00 121 K 8.49 4.60 0.00 1.84 1.61 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.51 7.81 122 E 8.81 4.49 0.00 1.95 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 2.31 2.31 0.00 123 L 8.28 4.53 0.00 1.63 1.58 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.61 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 0.00 125 S 8.93 4.38 0.00 3.85 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 0.00 126 R 8.49 4.42 0.00 1.83 1.92 0.00 3.34 0.00 0.00 3.80 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.56 0.00 127 N 7.74 4.04 0.00 2.69 2.72 0.00 0.00 7.16 7.37 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 0.00 128 P 0.00 3.99 0.00 2.07 1.92 0.00 3.62 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 2.07 2.16 0.00 129 I 7.32 3.15 1.79 0.00 0.00 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 1.03 0.84 0.39 0.00 0.00 130 N 8.27 4.69 0.00 2.87 3.20 0.00 0.00 6.72 7.45 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 0.00 131 I 7.78 3.71 2.03 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 1.47 1.30 0.93 0.00 0.00 132 A 8.09 4.02 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 0.00 133 Y 7.65 4.16 0.00 2.41 1.59 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 0.00 134 A 8.06 4.00 1.47 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 0.00 0.00 0.00 135 T 8.05 3.85 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 1.19 0.00 0.00 136 M 7.95 4.08 0.00 1.97 2.19 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 2.70 2.73 0.00 137 E 7.98 3.97 0.00 1.91 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 2.26 2.49 0.00 138 A 7.68 4.21 1.34 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 0.00 0.00 0.00 139 L 7.85 3.90 0.00 1.69 1.72 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.93 3.89 0.00 1.80 2.01 0.00 3.51 0.00 0.00 3.19 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 141 Q 7.64 4.58 0.00 2.34 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 142 L 8.61 4.38 0.00 1.63 1.61 0.89 0.59 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 0.00 143 R 8.32 4.77 0.00 1.71 1.76 0.00 3.31 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.55 0.00 144 T 8.88 4.69 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 0.00 145 K 8.80 3.81 0.00 1.84 1.88 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.28 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.76 1.54 7.81 146 A 8.38 4.17 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 0.00 147 D 6.53 4.43 0.00 2.93 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 0.00 148 V 7.74 3.70 2.21 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 1.00 0.00 0.00 0.90 0.00 0.00 149 E 8.18 4.26 0.00 2.07 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 2.32 2.46 0.00 150 R 7.84 4.28 0.00 1.95 2.02 0.00 3.24 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 151 L 7.54 4.56 0.00 1.84 1.68 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.17 4.81 0.00 1.82 1.90 0.00 3.15 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 153 K 7.44 4.66 0.00 1.74 0.89 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.40 7.81 154 G 9.13 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 0.00 0.00 0.00 *155 E 7.78 4.13 0.00 1.75 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 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.