NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.3562 8.2929 117.1030 59.1207 63.5384 176.2883 5 D 4.1501 7.7354 129.2850 56.0385 40.7132 173.5578 6 L 4.2687 12.0000 120.5928 57.3870 42.2867 179.2972 7 V 3.7282 7.7708 117.6912 66.2553 31.2295 178.1072 8 T 3.9803 7.9670 116.8484 67.1592 68.8105 177.0092 9 K 4.1752 8.0745 125.5270 59.6374 31.4896 180.7074 10 F 4.4484 8.0832 120.9677 61.3841 39.4486 176.8690 11 E 3.8721 8.1050 116.3550 57.8456 29.3035 177.6824 12 S 4.7824 7.5919 116.2337 57.9711 64.7937 174.2827 13 L 4.6305 6.9160 122.2871 54.2201 44.7613 179.0771 14 I 4.0342 7.9774 119.3202 60.4880 36.9716 177.4098 *18 Y 4.3802 8.1667 113.8742 57.2683 38.3910 169.5698 19 P 4.8020 0.0000 0.0000 62.0151 33.5011 176.5132 20 V 3.8020 8.1941 117.1152 64.0428 31.6209 177.0852 21 S 4.4393 8.0151 112.6655 58.2008 63.5195 173.8708 22 F 4.1815 7.9504 124.9357 58.8432 39.5540 175.4324 23 T 4.3696 7.7554 118.5861 60.5463 71.5682 175.8376 24 K 4.0449 8.4612 122.7795 59.9149 31.9884 179.9733 25 E 3.9114 8.0569 118.2312 61.4649 29.7007 181.7515 26 Q 4.0153 7.8670 119.3601 58.5648 28.5256 179.0697 27 S 4.3486 7.8125 113.9763 61.4069 62.4591 176.1252 28 A 4.0592 8.1609 123.6549 55.1160 18.0392 179.6836 29 Q 4.1004 8.2261 116.6526 58.8395 28.7397 178.5824 30 A 4.2151 8.2033 121.6559 55.1536 18.4501 179.3138 31 A 3.9932 8.0778 119.3395 55.6410 18.4219 179.9029 32 Q 3.8415 8.0514 116.3071 58.9928 28.7575 179.1983 33 W 4.2710 8.2572 119.9634 59.6421 28.9952 178.2722 34 E 4.0646 8.6007 119.7045 59.1373 29.0615 178.8254 35 S 4.0902 8.5578 113.9060 61.1508 62.3649 176.2284 36 V 3.5479 7.8955 120.9723 65.9964 31.2799 178.0228 37 L 4.0796 8.3070 121.0658 58.3621 41.2912 179.9320 38 K 3.9025 8.1393 123.0237 59.9748 31.7093 180.1129 39 S 4.7278 8.0074 111.9937 57.7237 63.4094 174.4884 40 G 3.8973 7.8562 110.4295 47.6067 0.0000 174.6115 41 Q 4.6663 8.1445 116.4346 55.3604 29.9659 176.9584 42 I 3.9432 7.8382 122.7724 64.2811 38.0257 176.8293 43 Q 3.9938 8.2099 120.1091 58.9214 28.6970 176.5674 44 P 4.4908 0.0000 0.0000 64.8533 31.7443 176.6407 45 H 4.7899 8.1919 115.8238 55.8402 28.8616 176.5806 46 L 4.0557 7.9761 123.3407 58.1120 41.5074 178.9603 47 D 4.5022 8.2991 118.2750 57.4984 40.6781 178.6607 48 Q 4.0258 8.1348 119.5061 59.0845 29.2388 177.5564 49 L 3.9160 8.7002 121.8942 58.3676 42.1279 178.5503 50 N 4.3550 8.5998 117.1501 56.5911 37.6775 176.6097 51 L 3.9861 8.0991 121.8484 58.0677 42.0485 179.1281 52 V 3.7907 8.1035 118.4318 66.0526 31.3338 177.9129 53 L 4.2938 7.6113 118.1437 56.1608 41.4925 178.8857 54 R 3.6733 7.5232 118.2612 58.8629 30.1151 176.7336 55 D 4.7456 7.2815 115.0494 54.0813 42.0405 176.0709 56 N 4.9663 7.7655 117.4925 51.3395 42.0937 175.2049 57 T 3.5338 8.7435 120.1547 66.0310 68.8836 174.1922 58 F 5.1940 7.3890 117.7152 55.1408 42.4447 176.3150 59 I 3.5479 8.9537 123.4405 64.0444 37.0896 178.1039 60 V 4.4518 7.6900 113.0825 61.3163 32.0916 176.0509 61 S 4.1321 8.0336 112.2751 59.9808 60.4981 171.7191 62 T 4.6688 7.2894 107.0592 60.2052 70.5690 174.4105 63 L 4.4366 8.3647 120.8103 56.0344 42.2540 176.7991 64 Y 5.0620 7.5676 115.0037 54.8250 40.9622 173.6448 65 P 3.8151 0.0000 0.0000 62.9839 32.0863 176.0060 66 T 4.4928 9.0727 114.6081 60.0858 71.0485 175.5156 67 S 4.0742 8.3589 117.5057 61.4713 62.6727 176.6429 68 T 3.9483 7.8905 119.1670 66.6393 68.2980 175.7677 69 D 4.7107 8.2174 120.2874 57.7009 40.9483 179.1214 70 V 3.6525 7.6492 118.2951 66.2843 31.5619 177.8024 71 H 4.3354 8.6630 116.3548 58.9448 28.5266 177.9987 72 V 3.7758 8.1831 120.1439 65.9934 31.3040 177.4863 73 F 4.1147 8.6848 120.4936 61.6845 38.8601 176.8187 74 E 3.6704 8.1877 117.4449 58.8660 29.7892 178.5531 75 V 3.7734 7.4869 116.6237 65.5575 31.7232 177.9224 76 A 4.0868 8.7394 121.1169 54.9694 18.1665 179.0165 77 L 3.6907 7.8769 119.5222 57.8583 42.1117 177.5248 78 P 4.1843 0.0000 0.0000 65.5191 31.0191 178.1730 79 L 3.8739 7.4292 118.9574 58.2147 42.0968 178.9641 80 I 3.5436 7.9168 120.0950 64.1148 36.9496 178.5213 81 K 3.9914 8.2609 121.8648 60.1429 31.9226 179.6481 82 D 4.3545 8.1278 121.1551 58.4019 39.5252 180.1543 83 L 4.2051 7.8633 119.7980 57.7870 41.8917 179.6643 84 V 3.8429 8.3300 118.0338 66.0775 31.3078 177.9595 85 A 4.1993 8.5567 119.7222 53.9469 18.1407 178.6680 86 S 4.6973 7.7129 111.3633 57.3675 64.1641 174.0444 87 S 4.3787 7.3939 116.9194 58.5423 62.6637 174.6385 88 K 4.1101 8.6389 126.5222 58.9052 32.2930 177.4406 89 D 4.4271 7.9024 118.4112 52.2418 44.0910 175.7808 90 V 3.6993 8.4665 127.7262 65.8346 31.6185 177.5271 91 K 3.8730 8.0297 119.0491 59.7221 32.0675 178.6837 92 S 4.1716 8.2703 114.9661 61.8400 62.4597 176.9741 93 T 3.9455 7.4970 117.6522 66.8924 68.4441 176.1257 94 Y 4.1267 8.5173 118.6616 61.5318 37.7083 178.8674 95 T 3.8952 8.2372 115.7245 66.8436 68.5619 176.3810 96 T 3.9668 7.4126 116.0662 64.8915 69.1768 174.3653 97 Y 5.1368 7.4725 119.1344 56.6457 39.3005 177.7894 98 R 3.9426 8.2454 120.8429 59.9630 30.2120 177.9802 99 H 4.4771 8.1075 114.9653 58.4678 29.0474 177.4809 100 I 3.9136 8.0772 121.6431 64.6265 36.9851 178.4559 101 L 4.0408 8.1459 119.6278 57.6182 41.4794 179.1142 102 R 3.9464 8.1431 118.8607 59.6274 29.8726 178.2622 103 W 4.2909 8.2018 127.6242 60.3148 30.6629 178.0128 104 I 3.5384 8.6550 120.1769 64.4392 36.3186 177.5744 105 D 4.3352 8.6354 119.0891 57.6910 40.8705 177.6535 106 Y 3.8476 8.0397 119.5653 61.1999 38.7519 178.2064 107 M 3.6714 8.1234 120.0406 58.0516 31.8469 178.8707 108 Q 3.8885 7.8654 117.9658 59.0069 28.6558 178.4108 109 N 4.1898 7.5442 117.3085 55.8782 38.3977 176.9828 110 L 3.6299 7.4189 121.2259 57.7939 42.0946 177.6321 111 L 4.2791 7.7853 115.0869 53.7495 41.9896 176.0559 112 E 3.6940 7.5457 117.3719 57.0042 27.3175 175.3094 113 V 3.7316 7.7125 117.4658 62.6800 32.6479 176.2511 114 S 4.3669 8.3949 120.6888 58.3815 64.7687 175.6175 115 S 4.2120 8.4869 119.0530 61.9489 62.6428 176.6360 116 T 3.9948 7.7643 114.7919 65.1326 67.3264 175.4751 117 D 4.5202 7.9907 119.2374 55.2150 41.4069 177.3912 118 K 4.2247 7.8725 118.6738 56.2465 32.6812 176.0145 119 L 4.3372 8.6322 124.0629 53.8959 42.8747 176.1521 120 E 4.2068 8.7858 126.9752 56.0886 30.8121 174.0587 121 I 4.0728 8.4200 129.5740 60.0575 37.9121 176.0043 122 N 4.5058 9.2275 124.8304 53.1331 37.5033 176.7828 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 4 S 8.29 4.36 0.00 3.67 3.87 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 5 D 7.74 4.15 0.00 2.80 2.80 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 0.00 6 L 12.00 4.27 0.00 1.81 1.74 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.77 3.73 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 1.15 0.00 0.00 0.94 0.00 0.00 8 T 7.97 3.98 4.36 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 1.22 0.00 0.00 9 K 8.07 4.18 0.00 1.80 1.82 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 10 F 8.08 4.45 0.00 2.98 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 11 E 8.10 3.87 0.00 2.14 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 0.00 2.34 2.61 0.00 12 S 7.59 4.78 0.00 4.03 4.07 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 13 L 6.92 4.63 0.00 1.62 1.40 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.98 4.03 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 1.27 1.12 0.91 0.00 0.00 *18 Y 8.17 4.38 0.00 2.35 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 0.00 0.00 0.00 0.00 19 P 0.00 4.80 0.00 2.23 2.20 0.00 2.83 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 2.11 1.93 0.00 20 V 8.19 3.80 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 0.79 0.00 0.00 0.96 0.00 0.00 21 S 8.02 4.44 0.00 4.03 4.04 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 22 F 7.95 4.18 0.00 3.16 3.08 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 23 T 7.76 4.37 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 1.16 0.00 0.00 24 K 8.46 4.04 0.00 1.79 1.88 0.00 1.68 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.49 7.81 25 E 8.06 3.91 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 1.98 0.00 26 Q 7.87 4.02 0.00 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.09 0.00 27 S 7.81 4.35 0.00 4.06 4.04 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 28 A 8.16 4.06 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 29 Q 8.23 4.10 0.00 2.33 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 30 A 8.20 4.22 1.63 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 31 A 8.08 3.99 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 32 Q 8.05 3.84 0.00 2.03 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 33 W 8.26 4.27 0.00 3.46 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 34 E 8.60 4.06 0.00 2.38 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 2.36 2.39 0.00 35 S 8.56 4.09 0.00 3.94 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 36 V 7.90 3.55 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 1.09 0.00 0.00 0.61 0.00 0.00 37 L 8.31 4.08 0.00 1.99 1.75 1.10 0.76 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 38 K 8.14 3.90 0.00 1.82 1.76 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.35 7.81 39 S 8.01 4.73 0.00 4.04 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 40 G 7.86 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 41 Q 8.14 4.67 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 42 I 7.84 3.94 1.96 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 1.59 1.46 0.94 0.00 0.00 43 Q 8.21 3.99 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.72 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 44 P 0.00 4.49 0.00 2.22 2.17 0.00 3.89 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 2.20 2.08 0.00 45 H 8.19 4.79 0.00 3.50 3.61 0.00 5.62 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.98 4.06 0.00 1.85 1.71 0.66 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.30 4.50 0.00 2.75 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.13 4.03 0.00 2.19 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.87 0.00 0.00 0.00 0.00 0.00 2.62 2.47 0.00 49 L 8.70 3.92 0.00 1.79 1.81 -0.21 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.60 4.36 0.00 3.15 3.05 0.00 0.00 6.88 7.12 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 51 L 8.10 3.99 0.00 2.00 1.69 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.10 3.79 2.27 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 0.97 0.00 0.00 1.15 0.00 0.00 53 L 7.61 4.29 0.00 1.63 1.61 0.08 0.38 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 54 R 7.52 3.67 0.00 1.70 1.98 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.29 0.00 55 D 7.28 4.75 0.00 2.81 2.64 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 0.00 0.00 0.00 0.00 56 N 7.77 4.97 0.00 2.69 2.75 0.00 0.00 6.88 6.90 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 57 T 8.74 3.53 3.84 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 0.20 0.00 0.00 58 F 7.39 5.19 0.00 3.18 3.27 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 59 I 8.95 3.55 1.72 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.47 0.27 0.00 0.00 60 V 7.69 4.45 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 1.08 0.00 0.00 1.22 0.00 0.00 61 S 8.03 4.13 0.00 4.07 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 62 T 7.29 4.67 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 1.60 0.00 0.00 63 L 8.36 4.44 0.00 1.51 1.69 0.87 0.78 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 64 Y 7.57 5.06 0.00 2.82 2.59 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 65 P 0.00 3.82 0.00 1.90 1.40 0.00 3.39 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 66 T 9.07 4.49 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 1.37 0.00 0.00 67 S 8.36 4.07 0.00 3.90 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 68 T 7.89 3.95 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 69 D 8.22 4.71 0.00 3.01 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 70 V 7.65 3.65 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 1.06 0.00 0.00 0.89 0.00 0.00 71 H 8.66 4.34 0.00 3.27 3.37 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.18 3.78 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 0.85 0.00 0.00 0.87 0.00 0.00 73 F 8.68 4.11 0.00 2.77 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 74 E 8.19 3.67 0.00 2.22 1.98 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 2.28 2.28 0.00 75 V 7.49 3.77 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 0.97 0.00 0.00 0.95 0.00 0.00 76 A 8.74 4.09 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 77 L 7.88 3.69 0.00 0.84 1.11 0.84 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.18 0.00 2.24 2.22 0.00 3.62 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.93 0.00 79 L 7.43 3.87 0.00 1.92 1.83 0.90 0.90 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 80 I 7.92 3.54 1.78 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.53 0.77 0.00 0.00 81 K 8.26 3.99 0.00 1.93 1.85 0.00 1.67 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.61 7.81 82 D 8.13 4.35 0.00 2.69 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.86 4.21 0.00 1.73 1.84 0.76 1.10 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 84 V 8.33 3.84 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 1.22 0.00 0.00 1.01 0.00 0.00 85 A 8.56 4.20 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 7.71 4.70 0.00 4.04 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 87 S 7.39 4.38 0.00 4.11 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 88 K 8.64 4.11 0.00 1.81 1.87 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.39 7.81 89 D 7.90 4.43 0.00 2.70 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.47 3.70 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 0.94 0.00 0.00 0.96 0.00 0.00 91 K 8.03 3.87 0.00 1.82 1.94 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.53 7.81 92 S 8.27 4.17 0.00 4.12 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 93 T 7.50 3.95 4.69 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 1.43 0.00 0.00 94 Y 8.52 4.13 0.00 3.16 3.08 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 95 T 8.24 3.90 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 96 T 7.41 3.97 3.71 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 0.00 0.00 0.00 0.58 0.00 0.00 97 Y 7.47 5.14 0.00 2.98 2.83 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 98 R 8.25 3.94 0.00 1.50 1.91 0.00 3.09 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.82 0.00 99 H 8.11 4.48 0.00 3.41 3.41 0.00 5.64 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 0.00 100 I 8.08 3.91 2.16 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.70 1.08 0.00 0.00 101 L 8.15 4.04 0.00 1.93 1.74 0.56 0.37 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 0.00 102 R 8.14 3.95 0.00 1.97 2.27 0.00 3.10 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 103 W 8.20 4.29 0.00 3.33 3.48 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 0.00 104 I 8.65 3.54 2.15 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.94 1.00 0.00 0.00 105 D 8.64 4.34 0.00 2.92 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 0.00 106 Y 8.04 3.85 0.00 3.21 3.14 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 0.00 107 M 8.12 3.67 0.00 0.51 0.61 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 2.13 0.00 108 Q 7.87 3.89 0.00 2.41 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.57 2.38 0.00 109 N 7.54 4.19 0.00 2.82 2.71 0.00 0.00 6.52 6.62 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 0.00 110 L 7.42 3.63 0.00 1.00 1.57 0.75 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.79 4.28 0.00 1.58 1.61 0.73 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 112 E 7.55 3.69 0.00 2.01 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 2.18 2.14 0.00 113 V 7.71 3.73 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.09 0.00 0.00 114 S 8.39 4.37 0.00 4.08 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 0.00 115 S 8.49 4.21 0.00 3.86 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 0.00 116 T 7.76 3.99 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 1.20 0.00 0.00 117 D 7.99 4.52 0.00 2.68 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.87 4.22 0.00 1.73 1.77 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.66 7.81 119 L 8.63 4.34 0.00 1.56 1.57 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.79 4.21 0.00 2.03 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 0.00 2.33 2.36 0.00 121 I 8.42 4.07 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.24 1.01 0.00 0.00 122 N 9.23 4.51 0.00 2.80 2.95 0.00 0.00 6.45 7.56 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 * Residues marked with a * may have inaccurate shift predictions.