NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2668 8.3444 119.1327 54.5766 29.8333 174.4092 3 C 2.4610 8.2677 123.7302 56.5019 32.0467 171.4219 4 P 4.3183 0.0000 0.0000 62.3815 33.8182 176.8932 5 I 3.6006 8.2830 121.8923 64.7531 37.0825 178.6077 6 E 3.9486 8.1056 118.7893 59.5324 29.2402 179.0110 7 D 4.5090 7.9185 118.5009 56.9794 41.0679 178.3673 8 R 3.6619 8.0080 119.5342 59.5868 30.0045 178.6299 9 L 3.8294 8.0524 118.4917 57.6165 41.5670 179.3691 10 A 4.0286 8.0582 120.7787 55.1631 18.0812 179.8422 11 I 3.4892 7.4662 117.7185 64.2386 37.1942 177.8734 12 Q 3.5287 7.5308 119.3664 59.3307 28.9330 178.1171 13 D 4.4299 8.2490 120.0293 56.9796 40.6405 178.7039 14 L 4.2409 7.5281 117.8682 55.9417 41.7580 178.4548 *16 I 4.0811 7.7735 119.9881 60.8535 39.3443 177.8870 17 A 3.9954 8.3607 122.3399 55.1129 18.0580 178.9261 18 Y 4.1003 8.3837 118.0661 60.9723 38.8449 178.3146 19 A 3.8980 8.1480 121.0806 55.3766 18.2929 178.7778 20 H 3.9211 8.2749 115.6766 59.3235 30.0650 177.1006 21 A 4.0856 8.0143 122.4487 55.1309 18.2868 179.6005 22 V 3.6889 7.5819 116.8443 66.4465 31.3852 177.6435 23 D 4.6655 8.0800 116.2469 56.1951 40.7107 178.1877 24 T 3.8526 7.7201 111.1209 62.3079 68.5130 175.1854 25 V 3.0584 7.2327 119.4960 62.7858 30.6145 172.4315 26 S 4.2176 6.2735 110.8339 57.3979 69.2652 174.7523 27 D 4.6350 7.9886 122.3869 52.7616 39.0264 176.3831 28 I 3.8572 8.0280 125.4811 63.9318 37.5742 176.9972 29 D 4.4117 8.2730 119.1022 57.5494 40.4294 178.7317 30 A 4.0532 8.1185 120.2282 54.9316 18.7427 179.6678 31 V 3.7642 7.5966 116.4890 66.2816 31.6748 178.3767 32 L 4.0834 8.3760 119.1785 57.7248 41.1819 178.8696 33 D 4.4727 7.9811 117.1452 57.0195 41.3157 178.1689 34 V 3.6478 7.9697 118.4087 63.8793 31.5480 175.2880 35 F 5.2969 7.5003 116.5826 55.2242 41.7179 175.4646 36 T 4.2195 8.6320 114.4111 61.3669 69.5344 175.3341 37 E 3.7546 8.8355 122.1235 58.9616 29.5799 178.3425 38 D 4.6031 7.8280 115.6862 52.7726 40.0338 176.0995 39 A 4.3533 7.8084 121.6353 53.0187 19.9401 177.6568 40 V 4.1033 8.7312 121.5129 61.9613 33.0224 174.8050 41 F 4.6822 9.1365 132.4299 56.2626 39.7782 172.1538 42 D 4.6974 8.7202 123.8258 51.4643 42.8237 174.9311 43 L 4.0606 7.5979 125.3420 53.9361 42.4278 179.1758 44 S 4.7234 7.6620 116.7216 60.6196 62.8402 176.6212 45 G 3.6348 7.9577 108.9725 47.2928 0.0000 173.9100 46 I 3.9826 7.9039 112.3062 60.4564 37.6176 176.2665 47 G 4.0132 8.3810 107.9843 45.7148 0.0000 173.6317 48 L 4.7580 7.4395 118.8510 52.5753 43.8909 176.0335 49 T 4.2240 8.3278 118.5444 62.9510 68.9117 172.9238 50 P 4.6090 0.0000 0.0000 63.0783 32.2545 175.6107 51 Q 4.7077 9.1367 120.0721 54.2721 33.2783 174.3691 52 V 4.6243 8.1283 120.3304 62.3439 35.2775 176.3206 53 G 4.7406 9.1349 112.4199 43.8013 0.0000 174.1547 54 H 4.1922 8.6519 115.1456 58.6720 28.7141 177.8839 55 A 4.1782 8.1648 122.3425 55.2251 18.1461 179.7710 56 G 3.5396 7.6114 104.3773 47.8353 0.0000 176.2369 57 I 3.2608 7.6576 122.2102 63.8317 36.9211 178.5056 58 R 3.9313 8.4967 120.1279 59.1676 29.8333 178.2087 59 E 3.8643 8.0579 118.7863 59.1680 29.6913 178.3673 60 F 3.8418 8.0109 120.6181 61.5625 39.3281 177.0916 61 F 3.7200 8.1453 116.7148 59.8317 38.6805 178.0310 62 T 3.8969 8.0501 116.1108 66.5911 68.0308 175.8203 63 N 4.1511 7.5150 116.9585 56.6293 39.3317 176.5443 64 V 3.7684 7.2120 119.4082 66.3250 31.3702 178.0773 65 F 4.6209 8.1881 115.9197 60.6035 38.7923 177.3147 66 A 4.2384 8.1629 119.6447 54.0416 18.3180 177.6321 67 N 4.7972 8.0201 115.0432 53.4411 39.4754 176.8961 *69 S 4.3198 8.2519 113.1984 58.1032 64.1635 173.2519 70 H 5.1347 8.0834 114.9887 54.4144 33.0051 172.0629 71 H 5.5086 8.8476 116.9490 54.3751 32.9791 173.0479 72 A 4.4899 8.5146 123.8025 51.2258 21.5295 175.5204 73 H 4.9632 8.9536 121.0749 54.2536 30.5128 172.7142 74 Y 4.4420 9.0544 121.9150 57.0500 39.4116 174.6809 75 L 5.1537 8.5440 123.2935 53.1849 44.8172 175.6757 76 T 4.2546 7.9840 112.2918 60.0059 73.1781 172.9467 77 N 4.0754 8.4495 115.1237 53.8489 35.8537 174.9364 78 F 4.4577 7.9260 115.3409 57.9716 39.7705 175.2415 79 A 4.6242 8.8188 124.5539 50.2236 22.0591 175.7797 80 V 4.0182 8.6200 123.6788 63.0550 31.6121 175.8126 81 T 4.5043 8.9639 118.4878 61.7925 70.2142 174.5892 82 G 4.2123 7.6178 109.5184 45.2969 0.0000 171.7815 83 Y 5.0360 8.0979 119.9736 57.0167 41.4573 174.5001 84 E 4.4319 8.7585 126.7256 55.8584 30.4266 176.5634 85 G 3.9850 6.0302 114.3513 43.9279 0.0000 174.2824 86 D 4.7756 7.5561 117.4494 53.6302 42.6870 175.5046 87 T 5.5364 7.6044 108.0535 60.4853 72.9769 172.2747 88 A 5.0113 8.7694 122.8372 51.7135 23.5856 174.8194 89 S 5.5035 8.7634 114.1849 56.0352 68.1802 173.4525 *91 R 4.5474 8.3573 119.4689 56.5805 31.3194 173.8497 92 A 4.7394 8.4015 125.2362 50.3788 23.2496 174.8721 93 Y 4.8952 8.6408 118.3981 57.5150 39.7374 175.1147 94 V 4.7858 8.6262 122.4486 59.9725 34.8690 174.7528 95 I 4.4580 8.8266 124.8824 60.0062 38.6144 174.6023 96 G 4.2512 9.1717 115.4527 44.2443 0.0000 171.3909 *98 G 4.4036 8.4136 108.7059 45.8189 0.0000 171.8308 99 V 4.9789 8.5545 120.4342 59.3874 34.5695 175.7826 100 G 4.1915 9.1507 112.2117 45.7248 0.0000 174.7662 101 K 4.1179 8.9481 120.2881 58.6796 32.0893 178.1634 102 D 4.5344 8.0921 116.5300 53.2202 39.6437 177.2820 103 G 3.9557 8.2880 108.7513 45.4523 0.0000 173.8604 104 R 4.3135 8.1562 120.0162 55.7395 30.9823 175.9762 105 A 5.1370 8.6373 125.5204 51.3086 20.9023 176.2858 106 V 4.8201 8.6721 119.0545 60.4826 35.0575 174.8965 107 T 4.8859 9.2962 120.2742 61.9137 72.3348 172.8242 108 V 4.5549 9.1720 127.5141 61.7224 33.4932 174.3808 109 N 5.1667 8.9573 126.4183 52.4662 39.6490 173.1831 110 G 3.9585 8.4843 115.7206 45.6950 0.0000 170.3406 111 R 5.1398 8.5696 120.3541 54.7747 34.5679 174.4936 112 Y 5.1899 8.9140 120.2957 56.6365 40.7254 174.8365 113 F 5.2626 9.6157 122.0699 56.0244 42.1780 173.9082 114 F 5.4804 9.1799 122.8148 55.8731 41.5823 174.5658 115 E 5.1117 9.1913 122.9110 54.9020 31.9318 175.5698 116 V 5.1988 9.0752 116.5226 59.7598 36.7313 174.4535 117 R 5.2505 9.1912 121.9290 54.5823 33.8312 174.1038 118 R 3.5567 8.5997 127.4005 55.9867 30.5075 175.6730 119 T 4.5317 8.2810 118.6350 59.7843 71.5787 175.5821 120 E 3.9562 8.6359 116.9656 58.3436 29.6949 176.4428 121 K 4.3982 7.8560 115.1894 56.4671 32.4297 176.6217 122 G 3.8277 7.8648 106.9582 43.9002 0.0000 173.3073 123 W 4.7191 8.3310 118.2131 56.8451 29.6601 175.9994 124 K 4.9478 9.0187 120.5257 54.5717 36.6252 175.1171 125 A 4.7472 8.9034 125.5683 51.8920 19.2470 178.2541 126 T 4.2515 9.0387 112.9277 61.9659 71.1442 174.7445 127 R 5.0788 7.5830 121.1919 55.2838 33.9206 172.9762 128 Y 5.3257 8.9872 126.7414 56.4722 42.2322 174.0413 129 T 5.1131 8.8578 116.5081 59.2026 73.0803 171.9330 *131 D 4.7571 8.4032 119.7886 53.8012 40.5186 173.5674 132 F 5.1351 8.4410 116.8659 56.4278 40.3800 176.0297 133 L 4.3973 8.7858 123.5426 54.4733 41.7749 174.8618 *135 P 3.8221 0.0000 0.0000 61.4808 32.3809 176.1470 136 L 3.8064 7.6894 123.5363 55.6238 42.5577 176.4160 137 S 4.5771 8.8992 121.5809 59.1197 64.2811 173.1655 138 G 3.8643 9.0653 113.6117 45.5844 0.0000 171.4008 139 T 4.6627 8.1285 114.1301 60.5377 70.4899 174.2920 140 L 4.7036 8.3309 125.5275 54.6980 41.7992 178.1049 141 D 4.3617 7.9491 121.9678 57.6312 40.7799 178.3426 142 N 4.4644 8.1930 113.8126 54.6297 38.7462 175.1658 143 A 4.2593 7.9049 119.8579 51.5904 20.2101 176.8352 144 K 4.1479 7.4479 119.7605 56.3290 32.2230 176.4700 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 2 Q 8.34 4.27 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 3 C 8.27 2.46 0.00 2.57 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 4 P 0.00 4.32 0.00 2.29 1.93 0.00 3.36 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.15 0.00 5 I 8.28 3.60 1.83 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 1.58 0.58 0.86 0.00 0.00 6 E 8.11 3.95 0.00 2.10 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 2.41 2.46 0.00 7 D 7.92 4.51 0.00 2.81 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.01 3.66 0.00 1.71 2.02 0.00 3.00 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 9 L 8.05 3.83 0.00 1.66 1.61 0.87 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.06 4.03 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.47 3.49 1.52 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 -0.36 0.73 0.00 0.00 12 Q 7.53 3.53 0.00 1.59 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 1.57 1.16 0.00 13 D 8.25 4.43 0.00 2.82 2.66 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 14 L 7.53 4.24 0.00 1.83 1.84 1.00 1.23 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 *16 I 7.77 4.08 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.58 0.92 0.00 0.00 17 A 8.36 4.00 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 18 Y 8.38 4.10 0.00 3.14 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 19 A 8.15 3.90 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 20 H 8.27 3.92 0.00 3.25 3.51 0.00 5.76 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.01 4.09 1.33 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 0.00 0.00 22 V 7.58 3.69 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.37 0.00 0.00 23 D 8.08 4.67 0.00 2.78 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 24 T 7.72 3.85 4.08 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 0.00 0.00 1.14 0.00 0.00 25 V 7.23 3.06 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 0.68 0.00 0.00 0.92 0.00 0.00 26 S 6.27 4.22 0.00 3.80 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 27 D 7.99 4.64 0.00 2.64 2.57 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 28 I 8.03 3.86 1.98 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 1.86 1.00 0.95 0.00 0.00 29 D 8.27 4.41 0.00 2.87 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 30 A 8.12 4.05 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 31 V 7.60 3.76 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 0.81 0.00 0.00 0.64 0.00 0.00 32 L 8.38 4.08 0.00 1.82 1.50 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.98 4.47 0.00 2.86 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 34 V 7.97 3.65 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 1.04 0.00 0.00 35 F 7.50 5.30 0.00 3.12 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 36 T 8.63 4.22 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 1.26 0.00 0.00 37 E 8.84 3.75 0.00 1.97 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 2.32 2.20 0.00 38 D 7.83 4.60 0.00 2.76 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 39 A 7.81 4.35 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.73 4.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.92 0.00 0.00 41 F 9.14 4.68 0.00 2.80 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 42 D 8.72 4.70 0.00 2.64 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 0.00 0.00 0.00 0.00 43 L 7.60 4.06 0.00 1.46 1.35 0.59 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.66 4.72 0.00 3.97 4.08 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 0.00 0.00 0.00 45 G 7.96 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 46 I 7.90 3.98 1.29 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.72 0.01 0.00 0.00 47 G 8.38 4.01 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 0.00 0.00 0.00 48 L 7.44 4.76 0.00 1.72 1.71 1.11 0.81 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 49 T 8.33 4.22 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 1.22 0.00 0.00 50 P 0.00 4.61 0.00 1.90 1.92 0.00 3.60 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 1.99 2.23 0.00 51 Q 9.14 4.71 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 52 V 8.13 4.62 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.92 0.00 0.00 53 G 9.13 4.74 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 0.00 0.00 0.00 54 H 8.65 4.19 0.00 3.19 3.35 0.00 5.66 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 55 A 8.16 4.18 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.61 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.66 3.26 1.62 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.31 0.49 0.00 0.00 58 R 8.50 3.93 0.00 1.88 2.14 0.00 3.11 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 59 E 8.06 3.86 0.00 2.34 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 2.31 2.19 0.00 60 F 8.01 3.84 0.00 3.03 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 61 F 8.15 3.72 0.00 2.95 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 0.00 0.00 0.00 0.00 62 T 8.05 3.90 4.37 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 1.23 0.00 0.00 63 N 7.51 4.15 0.00 2.54 2.74 0.00 0.00 7.23 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 64 V 7.21 3.77 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 1.17 0.00 0.00 0.27 0.00 0.00 65 F 8.19 4.62 0.00 3.15 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.16 4.24 1.38 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 0.00 0.00 67 N 8.02 4.80 0.00 2.75 2.96 0.00 0.00 6.45 7.01 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 *69 S 8.25 4.32 0.00 3.85 3.99 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 70 H 8.08 5.13 0.00 3.12 3.12 0.00 5.61 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 71 H 8.85 5.51 0.00 3.03 3.51 0.00 5.70 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.51 4.49 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 73 H 8.95 4.96 0.00 3.02 3.36 0.00 5.85 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 9.05 4.44 0.00 2.90 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 75 L 8.54 5.15 0.00 1.53 1.19 1.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.98 4.25 4.09 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 1.17 0.00 0.00 77 N 8.45 4.08 0.00 1.85 2.12 0.00 0.00 6.88 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 78 F 7.93 4.46 0.00 2.88 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 79 A 8.82 4.62 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 80 V 8.62 4.02 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 0.90 0.00 0.00 0.85 0.00 0.00 81 T 8.96 4.50 4.33 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 1.38 0.00 0.00 82 G 7.62 4.21 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 0.00 83 Y 8.10 5.04 0.00 3.00 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 84 E 8.76 4.43 0.00 1.83 1.79 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 2.21 2.34 0.00 85 G 6.03 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 86 D 7.56 4.78 0.00 2.54 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 87 T 7.60 5.54 4.40 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 1.25 0.00 0.00 88 A 8.77 5.01 1.23 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 0.00 0.00 89 S 8.76 5.50 0.00 3.90 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 *91 R 8.36 4.55 0.00 2.06 1.88 0.00 3.28 0.00 0.00 3.59 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.17 0.00 92 A 8.40 4.74 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 8.64 4.90 0.00 2.76 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 94 V 8.63 4.79 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 0.86 0.00 0.00 0.95 0.00 0.00 95 I 8.83 4.46 1.96 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.66 0.92 0.00 0.00 96 G 9.17 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 0.00 0.00 0.00 0.00 *98 G 8.41 4.40 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 0.00 99 V 8.55 4.98 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 0.97 0.00 0.00 100 G 9.15 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 0.00 0.00 0.00 0.00 101 K 8.95 4.12 0.00 1.74 1.89 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.43 7.81 102 D 8.09 4.53 0.00 2.77 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 8.29 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 R 8.16 4.31 0.00 1.94 1.89 0.00 3.13 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 105 A 8.64 5.14 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 0.00 106 V 8.67 4.82 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.06 0.00 0.00 107 T 9.30 4.89 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 1.26 0.00 0.00 108 V 9.17 4.55 2.24 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 1.15 0.00 0.00 1.13 0.00 0.00 109 N 8.96 5.17 0.00 2.79 2.75 0.00 0.00 6.77 7.61 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 0.00 110 G 8.48 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.57 5.14 0.00 1.68 1.16 0.00 3.10 0.00 0.00 3.01 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.33 0.00 112 Y 8.91 5.19 0.00 2.74 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 0.00 113 F 9.62 5.26 0.00 3.00 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 0.00 114 F 9.18 5.48 0.00 2.89 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 0.00 115 E 9.19 5.11 0.00 1.91 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 2.32 2.45 0.00 116 V 9.08 5.20 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.88 0.00 0.00 117 R 9.19 5.25 0.00 1.90 1.76 0.00 3.08 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 118 R 8.60 3.56 0.00 0.96 1.38 0.00 3.09 0.00 0.00 3.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 119 T 8.28 4.53 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 1.24 0.00 0.00 120 E 8.64 3.96 0.00 2.01 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 2.23 1.91 0.00 121 K 7.86 4.40 0.00 2.02 1.84 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.23 7.81 122 G 7.86 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 0.00 0.00 0.00 123 W 8.33 4.72 0.00 3.31 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 9.02 4.95 0.00 1.68 1.67 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.55 7.81 125 A 8.90 4.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 T 9.04 4.25 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 1.27 0.00 0.00 127 R 7.58 5.08 0.00 1.88 1.77 0.00 3.11 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 128 Y 8.99 5.33 0.00 2.50 2.42 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 0.00 129 T 8.86 5.11 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 1.11 0.00 0.00 *131 D 8.40 4.76 0.00 3.01 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 0.00 132 F 8.44 5.14 0.00 3.06 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 0.00 133 L 8.79 4.40 0.00 1.60 1.57 0.01 0.81 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 *135 P 0.00 3.82 0.00 1.97 1.88 0.00 3.64 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.99 0.00 136 L 7.69 3.81 0.00 1.05 1.34 1.15 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 137 S 8.90 4.58 0.00 4.11 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 0.00 138 G 9.07 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 0.00 139 T 8.13 4.66 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 0.00 140 L 8.33 4.70 0.00 1.82 1.71 1.14 1.20 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 0.00 141 D 7.95 4.36 0.00 2.72 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 0.00 142 N 8.19 4.46 0.00 2.74 2.88 0.00 0.00 6.71 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 0.00 143 A 7.90 4.26 1.22 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 0.00 144 K 7.45 4.15 0.00 1.91 1.71 0.00 1.91 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.52 7.81 * Residues marked with a * may have inaccurate shift predictions.