NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3142 8.4449 121.4695 55.9777 30.7456 174.8920 2 I 4.0405 8.1813 126.5936 58.8154 38.1183 169.9366 3 V 4.0547 9.2003 128.4924 62.0832 33.3742 174.4213 4 L 5.2936 8.5406 128.1258 53.5260 43.8104 176.1471 5 T 4.8314 8.8500 112.3580 60.2821 72.1643 172.6149 6 Q 5.2896 9.9548 125.5009 54.3383 31.6932 174.6576 7 S 4.9857 8.9032 116.7092 55.9772 66.4706 172.3680 8 P 4.9104 0.0000 0.0000 62.2685 32.7473 176.0683 9 G 3.8623 8.6585 104.2537 49.0992 0.0000 174.0305 10 T 5.3014 7.7615 114.2143 61.6184 72.8465 173.8382 11 Q 4.3607 9.1681 126.7960 55.6208 32.4504 174.3779 12 S 5.3091 8.8295 125.4477 57.2143 64.6258 169.6175 13 L 4.9179 9.0502 125.1393 52.5432 46.6184 176.1901 14 S 4.8899 8.7831 117.0153 56.5363 65.1627 172.3396 15 P 4.4440 0.0000 0.0000 64.3317 31.4678 177.2090 16 G 3.9509 8.7716 111.7082 45.1135 0.0000 173.5784 17 E 4.2669 7.7802 118.9366 56.1157 31.2476 175.5737 18 R 5.3331 8.6128 121.1238 54.2131 31.5723 174.9101 19 A 4.7744 8.8037 129.2069 50.4726 21.3729 175.5263 20 T 4.8317 8.3734 111.8610 59.8609 71.1221 173.1453 21 L 4.7705 9.1936 127.6654 52.7134 44.6859 175.4851 22 S 5.4223 8.9909 117.6264 56.8503 65.5583 171.9715 23 C 5.5368 9.8430 125.6232 55.1139 48.1858 172.4685 24 R 5.3401 9.7174 126.3122 54.5190 32.9694 173.6326 25 A 5.2551 8.6042 127.7676 50.0817 20.6033 176.9051 26 S 4.3967 8.8808 117.4277 60.6504 63.5615 174.3176 27 Q 4.6774 7.7934 115.4446 53.1579 31.2802 174.4162 28 S 4.3856 8.3514 113.1758 58.3915 63.8013 173.0558 29 V 4.0131 8.7720 127.9961 62.2915 32.4559 175.2299 30 G 3.8604 8.8785 115.6476 47.2951 0.0000 172.6636 31 N 4.4389 9.3020 122.5026 54.2736 36.1608 173.8107 32 N 4.2838 7.9879 111.6230 54.5303 37.3576 175.3753 33 K 4.1781 7.3090 116.8987 54.8878 30.6814 176.2523 34 L 4.9066 7.4284 123.4349 52.8675 45.1962 175.1163 35 A 5.3757 9.2338 127.1978 49.9166 22.8622 174.7713 36 W 5.1943 8.7213 119.2130 55.1358 32.3632 174.5117 37 Y 5.2886 9.6551 122.1932 56.2506 41.2672 174.2282 38 Q 4.4251 9.3299 123.9787 54.2722 31.9706 174.0919 39 Q 4.6002 8.5912 126.8808 54.1588 31.6869 174.7813 40 R 4.4016 8.4667 125.6854 54.9685 31.7200 174.6687 41 P 4.1334 0.0000 0.0000 64.6208 31.7120 176.2042 42 G 4.1194 8.8431 108.6416 46.3503 0.0000 172.8711 43 Q 4.5520 7.6193 115.5726 53.2305 32.6615 175.3002 44 A 4.1698 8.3053 122.8657 51.1893 19.2089 175.9725 45 P 4.6476 0.0000 0.0000 63.0221 32.5060 175.7120 46 R 4.6953 9.2562 123.0770 54.1775 32.9254 174.5039 47 L 4.0917 8.7879 128.7020 55.5411 42.2475 175.5110 48 L 4.5486 8.9707 125.9313 55.9628 43.6412 176.9241 49 I 5.1883 7.5549 117.5559 59.9429 41.9928 173.7462 50 Y 5.2099 8.9425 122.0567 55.5666 42.0307 174.5478 51 G 4.1434 9.7806 105.6461 46.1474 0.0000 174.5455 52 A 4.4183 8.5881 127.0974 51.8228 17.9092 180.6892 53 S 4.8742 7.6539 103.9884 57.6181 64.6554 173.8875 54 S 4.1160 8.2608 119.7380 57.9208 63.1724 172.6586 55 R 5.0781 8.2179 125.9907 53.9325 31.0283 174.0583 56 P 4.7521 0.0000 0.0000 62.5101 33.0109 175.8823 57 S 4.2469 8.6163 117.6631 60.4812 63.0521 174.9804 58 G 3.9418 9.3928 112.1839 45.0154 0.0000 173.1057 59 V 4.2043 7.1507 119.6223 60.7541 32.9598 175.5619 60 A 4.2548 8.7256 130.1329 52.2995 18.8159 177.4854 61 D 4.7154 8.5661 119.2790 54.4634 40.0099 177.4703 62 R 4.0474 7.6051 117.0000 57.7776 30.7034 176.0949 63 F 5.2663 7.6649 119.3298 56.7966 39.9603 175.4142 64 S 4.7130 8.9070 116.7637 57.1370 66.5517 173.2576 65 G 4.5714 8.7187 107.6433 43.8499 0.0000 171.5752 66 S 4.6538 9.2846 115.6465 57.5162 66.9821 174.2362 67 G 4.1189 10.1722 105.5185 46.5698 0.0000 172.2581 68 S 4.5487 7.4151 112.2379 57.1733 67.9446 176.8379 69 G 3.8992 9.0716 113.6472 46.9493 0.0000 175.0069 70 T 4.6094 8.7246 113.2390 60.9202 70.4717 172.4295 71 D 4.9715 7.6141 121.9206 53.1383 44.3273 174.1403 72 F 5.2926 9.5553 124.3354 56.2173 43.8200 174.2592 73 T 5.2705 9.2338 117.3026 62.0147 72.8797 172.4816 74 L 4.6018 8.2100 128.2315 53.3631 44.3930 174.9952 75 T 4.9019 8.6786 122.5123 61.7279 71.9708 172.9486 76 I 4.3258 8.6261 127.8430 59.5945 38.4664 176.6258 77 S 3.9581 8.7706 123.4250 60.9601 63.9480 174.4237 78 R 4.4622 7.5528 121.7311 53.0056 32.2119 174.3962 79 L 4.1478 8.5989 124.4907 55.2878 42.7259 176.4580 80 E 4.6959 9.2343 123.5162 54.2056 31.5912 175.4466 81 P 4.2308 0.0000 0.0000 65.9592 31.4970 178.1426 82 E 4.2582 8.0886 113.0547 57.9527 29.6016 177.1259 83 D 4.6252 8.4344 122.0477 56.4773 41.2290 176.7188 *84 F 4.6366 8.2498 119.4995 57.9858 38.3814 179.9170 85 A 4.3006 8.3373 124.8202 50.7165 22.4868 174.5410 86 V 4.5994 7.6810 118.6509 62.1021 33.6203 174.3345 87 Y 5.2207 9.1830 124.1835 56.4761 41.1803 174.1512 88 Y 5.8085 9.2718 121.0126 55.5756 41.5359 172.5724 89 C 4.8849 8.8529 116.8197 54.1314 42.8660 172.0963 90 Q 4.9716 8.8543 121.1328 54.2428 32.5696 173.6127 91 Q 5.0559 8.6132 122.8880 53.9348 31.5872 175.0985 92 Y 5.0943 8.0923 121.7090 56.8837 37.8758 176.2198 93 G 3.7498 8.5861 108.3476 46.9089 0.0000 173.7316 94 Q 4.5916 7.3590 116.2497 54.3987 31.7749 174.9858 95 S 4.1030 8.5893 113.8524 61.0144 62.8593 174.6575 96 L 4.2673 7.5598 121.8292 53.5863 40.5964 175.1402 97 S 4.6455 8.1704 120.1725 58.1266 63.4752 173.0254 98 T 4.7175 8.2942 115.1762 60.2222 72.1807 172.8255 99 F 5.1990 8.7851 122.0459 55.7701 41.5162 175.6012 100 G 4.0959 9.2656 109.7214 46.2670 0.0000 173.5824 101 Q 4.4330 8.6553 116.8473 56.0050 29.5223 176.2023 102 G 3.7947 8.2611 107.0423 44.5497 0.0000 172.8497 103 T 4.7880 8.8427 120.0357 61.4598 71.4664 173.0519 104 K 4.8139 8.7130 128.3289 55.0976 34.1182 175.1201 105 V 4.7860 8.8281 128.6050 61.4440 33.1434 174.0561 106 E 4.7053 9.8649 128.4944 55.2319 31.3721 176.7220 107 V 4.5730 8.2352 126.6196 61.9210 33.8907 174.8301 108 K 4.7031 8.2681 121.2932 54.0092 35.5479 171.4099 109 L 4.8473 8.2097 119.5561 53.4041 44.2642 178.1065 110 V 3.6914 8.5328 119.8904 59.8767 31.9485 172.5311 111 P 4.4868 0.0000 0.0000 62.2641 31.1534 176.1105 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 E 8.44 4.31 0.00 1.94 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 2.19 2.33 0.00 2 I 8.18 4.04 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 1.29 0.83 0.90 0.00 0.00 3 V 9.20 4.05 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 0.97 0.00 0.00 0.94 0.00 0.00 4 L 8.54 5.29 0.00 1.56 1.54 0.86 0.79 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 5 T 8.85 4.83 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 1.25 0.00 0.00 6 Q 9.95 5.29 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.61 2.34 0.00 7 S 8.90 4.99 0.00 3.90 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 8 P 0.00 4.91 0.00 2.37 2.10 0.00 3.84 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 9 G 8.66 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 7.76 5.30 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 1.26 0.00 0.00 11 Q 9.17 4.36 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 12 S 8.83 5.31 0.00 3.39 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 13 L 9.05 4.92 0.00 1.50 1.50 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.78 4.89 0.00 3.79 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 15 P 0.00 4.44 0.00 2.03 1.98 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 16 G 8.77 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 17 E 7.78 4.27 0.00 2.01 1.85 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 2.30 2.34 0.00 18 R 8.61 5.33 0.00 1.88 1.77 0.00 2.99 0.00 0.00 4.01 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.38 0.00 19 A 8.80 4.77 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 20 T 8.37 4.83 4.17 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 1.15 0.00 0.00 21 L 9.19 4.77 0.00 1.22 1.56 0.59 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.99 5.42 0.00 3.96 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 23 C 9.84 5.54 0.00 2.94 3.03 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 24 R 9.72 5.34 0.00 1.92 1.78 0.00 3.15 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 25 A 8.60 5.26 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 26 S 8.88 4.40 0.00 3.92 4.03 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 27 Q 7.79 4.68 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 28 S 8.35 4.39 0.00 3.94 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 29 V 8.77 4.01 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 0.67 0.00 0.00 0.96 0.00 0.00 30 G 8.88 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 N 9.30 4.44 0.00 2.83 2.88 0.00 0.00 7.33 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 32 N 7.99 4.28 0.00 2.93 3.00 0.00 0.00 7.06 6.77 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 33 K 7.31 4.18 0.00 1.02 0.74 0.00 1.57 0.00 0.00 1.47 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.26 7.81 34 L 7.43 4.91 0.00 0.88 1.03 0.30 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 35 A 9.23 5.38 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 W 8.72 5.19 0.00 3.31 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 9.66 5.29 0.00 3.09 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 38 Q 9.33 4.43 0.00 1.88 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.01 1.49 0.00 39 Q 8.59 4.60 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 40 R 8.47 4.40 0.00 1.91 1.82 0.00 3.22 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 41 P 0.00 4.13 0.00 2.03 2.01 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 42 G 8.84 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 0.00 0.00 0.00 43 Q 7.62 4.55 0.00 2.14 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 44 A 8.31 4.17 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 45 P 0.00 4.65 0.00 1.83 1.95 0.00 3.51 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.90 0.00 46 R 9.26 4.70 0.00 1.82 1.73 0.00 3.09 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 47 L 8.79 4.09 0.00 1.71 1.56 0.65 0.87 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 48 L 8.97 4.55 0.00 1.60 1.47 1.11 -0.09 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 49 I 7.55 5.19 2.16 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 1.46 1.13 1.11 0.00 0.00 50 Y 8.94 5.21 0.00 3.07 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 51 G 9.78 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 52 A 8.59 4.42 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 0.00 0.00 0.00 0.00 0.00 53 S 7.65 4.87 0.00 3.92 4.03 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 54 S 8.26 4.12 0.00 2.72 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 55 R 8.22 5.08 0.00 1.82 1.85 0.00 3.61 0.00 0.00 3.52 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.84 0.00 56 P 0.00 4.75 0.00 2.23 2.30 0.00 4.08 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 57 S 8.62 4.25 0.00 3.81 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 58 G 9.39 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 59 V 7.15 4.20 2.33 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 0.90 0.00 0.00 0.97 0.00 0.00 60 A 8.73 4.25 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 61 D 8.57 4.72 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 62 R 7.61 4.05 0.00 1.64 2.04 0.00 2.98 0.00 0.00 3.10 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.51 0.00 63 F 7.66 5.27 0.00 3.03 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 64 S 8.91 4.71 0.00 3.86 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 65 G 8.72 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 0.00 0.00 0.00 0.00 66 S 9.28 4.65 0.00 3.89 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 67 G 10.17 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 0.00 0.00 0.00 68 S 7.42 4.55 0.00 3.89 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 69 G 9.07 3.90 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 0.00 70 T 8.72 4.61 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 1.28 0.00 0.00 71 D 7.61 4.97 0.00 2.72 2.34 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 72 F 9.56 5.29 0.00 3.30 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 9.23 5.27 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 1.21 0.00 0.00 74 L 8.21 4.60 0.00 0.27 0.13 0.70 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.68 4.90 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 76 I 8.63 4.33 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 1.21 0.60 0.52 0.00 0.00 77 S 8.77 3.96 0.00 3.83 4.03 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 78 R 7.55 4.46 0.00 1.57 1.81 0.00 3.38 0.00 0.00 3.24 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 79 L 8.60 4.15 0.00 1.59 1.60 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 80 E 9.23 4.70 0.00 1.93 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 2.20 2.40 0.00 81 P 0.00 4.23 0.00 2.19 2.14 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 82 E 8.09 4.26 0.00 2.12 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 2.35 2.34 0.00 83 D 8.43 4.63 0.00 2.89 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 *84 F 8.25 4.64 0.00 2.10 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 0.00 0.00 0.00 0.00 85 A 8.34 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.68 4.60 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 0.39 0.00 0.00 0.90 0.00 0.00 87 Y 9.18 5.22 0.00 3.00 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 88 Y 9.27 5.81 0.00 3.06 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 89 C 8.85 4.88 0.00 2.14 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 90 Q 8.85 4.97 0.00 1.90 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 1.99 1.17 0.00 91 Q 8.61 5.06 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.71 0.00 0.00 0.00 0.00 0.00 2.11 2.35 0.00 92 Y 8.09 5.09 0.00 2.88 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 93 G 8.59 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 94 Q 7.36 4.59 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.05 0.00 0.00 0.00 0.00 0.00 2.18 2.47 0.00 95 S 8.59 4.10 0.00 3.88 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 96 L 7.56 4.27 0.00 1.57 1.59 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.17 4.65 0.00 3.89 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.29 4.72 4.23 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 1.19 0.00 0.00 99 F 8.79 5.20 0.00 2.84 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 0.00 100 G 9.27 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 0.00 0.00 0.00 101 Q 8.66 4.43 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.98 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 102 G 8.26 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 0.00 103 T 8.84 4.79 4.38 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 1.26 0.00 0.00 104 K 8.71 4.81 0.00 1.86 1.69 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.40 7.81 105 V 8.83 4.79 2.31 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 0.95 0.00 0.00 0.88 0.00 0.00 106 E 9.86 4.71 0.00 1.93 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 2.25 2.36 0.00 107 V 8.24 4.57 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 0.65 0.00 0.00 1.05 0.00 0.00 108 K 8.27 4.70 0.00 1.76 1.50 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.26 1.00 7.81 109 L 8.21 4.85 0.00 1.60 1.41 0.92 0.78 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 0.00 110 V 8.53 3.69 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 0.91 0.00 0.00 0.93 0.00 0.00 111 P 0.00 4.49 0.00 2.03 2.03 0.00 3.68 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 * Residues marked with a * may have inaccurate shift predictions.