NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2336 8.3144 120.1328 56.2792 33.5130 174.8781 3 E 4.2150 8.3667 123.2742 53.8285 31.2306 173.4973 4 D 4.5165 8.1713 123.5029 53.6904 42.9052 176.9172 5 T 3.8830 8.4416 116.5149 63.6017 69.0633 175.8126 6 I 3.5666 8.7234 123.5334 64.0467 37.9985 176.3496 7 E 4.0161 8.2212 116.5410 57.2785 29.4359 176.1622 8 I 3.9271 7.4765 121.9327 60.4510 37.0377 175.5653 9 A 4.1290 8.4859 129.5207 52.5243 19.1886 176.5303 10 G 3.9066 6.3122 101.9358 46.3901 0.0000 171.5789 11 F 5.1810 8.2873 117.5912 55.7243 43.5736 174.1236 12 H 5.3233 8.7875 116.9112 53.9759 32.1390 172.6950 13 A 5.0514 9.1787 124.4758 50.5766 21.7542 175.3617 14 H 4.7831 9.0895 119.4788 53.9057 31.3369 173.5337 15 V 3.9708 7.5288 124.9610 61.5953 31.7849 174.9659 16 Y 4.6998 8.3327 126.5261 57.2652 39.2907 174.8456 17 F 5.1606 8.0089 116.7224 56.1501 42.0293 172.0963 18 D 5.0448 9.3719 117.9330 50.6553 42.7079 175.9085 19 A 4.1203 9.0084 119.2983 55.9066 17.8157 179.6358 20 A 4.1473 7.9219 117.1464 54.0416 18.6665 178.8839 21 S 4.7336 8.0052 110.6684 58.1694 63.5771 175.8488 22 R 3.8458 7.7955 123.6272 60.0214 29.8231 178.1653 23 D 4.3344 8.0946 118.0732 57.2887 40.8762 178.4193 24 V 3.6251 8.0024 118.0945 66.2902 31.4156 177.7267 25 A 4.1678 8.4681 120.1580 55.2272 18.2147 179.4538 26 A 4.2261 8.4400 119.4178 55.4958 18.4553 180.1517 27 R 3.9882 8.0796 116.6259 59.3142 30.1541 179.4029 28 V 3.9644 8.3262 118.4438 66.0029 31.5495 178.0692 29 R 3.9559 8.4310 118.6619 59.4460 29.9039 178.1523 30 E 4.0140 8.4433 119.3174 59.0275 29.2184 178.9465 31 G 3.6019 8.3187 105.8455 47.7117 0.0000 175.6150 32 L 3.9309 7.9703 121.7684 57.4912 41.5255 180.0614 33 G 3.5882 7.9302 103.6076 47.3663 0.0000 175.1871 34 A 4.0525 7.6929 122.2652 54.0516 18.5090 178.8361 35 R 3.8390 6.7396 113.6556 55.4587 31.6296 176.1630 36 F 4.9601 6.8581 114.7539 55.3692 42.3387 175.3845 37 E 4.3903 8.9393 122.7094 55.6029 27.8850 176.4304 38 V 4.9659 7.9966 117.5917 60.0974 36.4624 175.3261 39 Q 4.6785 9.2562 123.2513 54.0070 30.5541 175.6554 40 L 4.7661 8.6340 125.4525 53.0930 42.7702 177.5137 41 G 4.1999 8.9999 112.9006 44.9947 0.0000 173.1731 42 R 4.3910 8.4658 116.0771 55.3932 30.6651 176.2049 43 W 4.3430 8.6594 130.6042 56.8918 31.3086 175.4563 44 F 4.8117 8.7623 124.8846 56.0212 39.2979 176.0413 45 D 5.0106 9.0892 125.7172 55.4599 41.2557 176.5784 46 K 4.7836 7.7723 117.4188 53.2814 35.4881 174.0693 47 P 4.3552 0.0000 0.0000 63.1320 31.9593 175.9535 48 I 4.4312 7.7278 120.3509 60.4070 42.2287 175.5742 49 G 2.0000 7.5932 115.3098 45.7466 0.0000 173.7283 50 P 4.4495 0.0000 0.0000 63.4679 31.3982 175.0377 51 H 4.9123 8.0301 119.2464 54.5439 29.1498 174.4713 52 P 4.0148 0.0000 0.0000 64.4058 31.7382 175.6039 53 K 4.5990 7.5770 116.4983 53.9733 36.4780 175.4127 54 G 3.6882 8.1532 106.8413 46.6039 0.0000 172.1817 *56 Y 5.0476 8.2180 117.6158 56.7799 40.0310 173.4105 57 Q 4.7900 8.5809 120.9731 54.7349 31.6884 174.2873 58 V 4.9589 8.9241 125.3853 61.2642 34.4732 173.8297 59 A 5.2913 9.0609 130.6549 50.4622 21.6394 175.2084 60 F 5.2432 8.2717 114.5822 55.5975 41.8724 174.1866 61 L 4.6120 8.7720 119.9941 53.8410 42.5803 176.4637 62 P 4.8671 0.0000 0.0000 65.8969 30.9641 178.2606 63 N 4.6590 8.3352 113.6915 54.7086 37.5859 175.8651 64 Q 4.3489 8.2360 120.0316 55.9757 29.3499 176.9307 65 F 3.9735 8.2665 123.6181 61.1114 39.2283 175.7632 66 D 4.4965 7.9552 114.6107 53.8626 39.7382 176.9693 67 K 4.1618 7.1357 119.3332 58.5250 33.2627 178.5009 68 V 2.3133 6.9201 118.3288 65.4763 31.1341 178.3625 69 V 3.2502 6.6097 116.2923 65.5300 31.4210 175.7742 70 P 4.2657 0.0000 0.0000 65.2357 31.3934 178.0147 71 W 4.2461 7.8559 126.9415 60.1589 31.1466 178.9479 72 L 4.2182 8.2012 120.5869 54.4992 40.3044 178.9005 *74 L 4.1874 7.8782 119.2615 54.2685 43.4937 177.8585 75 N 4.6331 7.4387 113.7050 52.4300 39.5048 176.0033 76 R 3.8739 7.8324 115.5791 56.8109 30.0851 176.1918 77 E 3.8318 8.4271 118.6049 57.5890 27.4280 175.7068 78 G 3.9975 8.2396 104.2996 45.2989 0.0000 173.8022 79 L 4.2912 7.6229 119.8370 54.5322 42.5320 176.1269 80 D 5.1273 8.7030 122.2703 54.0344 42.5103 175.4080 81 I 5.1688 9.2985 124.1618 59.5041 41.3038 174.0723 82 L 3.7981 8.4088 129.5455 53.6045 43.5995 175.2718 83 V 5.0316 8.4473 126.1501 61.3170 34.4933 173.8581 84 H 5.4418 9.1136 122.6952 53.1009 32.1527 171.2723 85 P 4.4333 0.0000 0.0000 62.7079 32.8595 175.4517 86 E 4.7221 8.5883 120.0246 54.9905 31.2178 176.7007 87 T 4.6596 8.7445 113.1460 59.8191 69.6863 175.0719 88 G 3.8484 8.7508 109.4609 45.9636 0.0000 173.7211 89 D 4.5417 7.7226 119.9157 50.7087 42.0323 175.4912 90 A 4.0070 8.5562 127.2162 54.8365 18.4594 179.1542 91 V 3.4549 7.6159 115.9027 66.3985 31.7629 178.3063 92 S 3.7785 7.9856 114.3948 61.3823 62.2882 176.2717 93 D 4.4782 8.0016 121.0558 57.9458 40.6793 178.3795 94 H 4.2945 8.1846 114.9087 57.9620 28.9321 176.8365 95 A 4.5193 8.0431 120.8960 52.3859 19.7083 177.4818 96 V 4.1130 7.4236 114.0895 64.7931 33.3332 175.7981 97 Y 4.7967 8.2728 114.4810 58.1591 37.7190 175.2930 98 S 5.0921 7.8349 115.5501 57.0433 65.5356 172.5709 99 L 5.1173 8.8414 119.7048 53.8400 44.2382 175.2348 100 W 5.3405 8.7876 118.1920 54.9906 32.3771 174.8795 101 L 4.5702 9.4343 124.7717 54.0061 43.0608 176.3529 102 G 4.1719 9.1995 108.8445 45.6053 0.0000 173.4495 103 A 4.4849 9.3102 127.7170 49.5763 20.5660 176.4955 104 A 2.0000 8.0846 126.2478 51.6490 18.8512 176.4540 105 L 4.2716 5.6200 120.6692 52.1736 43.8500 176.5785 106 A 4.0241 8.1986 125.2676 52.2662 18.9264 177.0638 107 L 4.7847 8.2054 121.8922 53.2693 44.6998 177.4016 108 N 4.6646 8.6416 121.0922 52.5694 35.7741 175.8520 109 I 3.7588 7.5840 125.2341 63.8597 37.6876 177.1480 110 E 3.8731 8.2636 119.9662 59.1223 29.1180 178.3174 111 F 4.0104 8.0044 119.5222 61.4576 39.4407 176.9031 112 L 4.0538 7.8898 117.9099 57.7336 41.4975 179.4717 113 R 3.8809 8.1886 118.2772 59.4090 29.7866 179.1807 114 Q 3.9896 8.1594 117.0498 58.6118 28.6663 178.4333 115 L 3.9873 7.0873 119.6497 56.9488 41.6790 177.1211 116 S 4.2874 7.5385 117.0917 58.3581 63.2469 173.7909 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 K 8.31 4.23 0.00 1.74 1.79 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.37 7.81 3 E 8.37 4.21 0.00 1.95 1.80 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 2.48 2.32 0.00 4 D 8.17 4.52 0.00 2.68 2.47 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 5 T 8.44 3.88 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 1.13 0.00 0.00 6 I 8.72 3.57 1.93 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 1.33 0.66 0.96 0.00 0.00 7 E 8.22 4.02 0.00 2.13 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 2.44 2.11 0.00 8 I 7.48 3.93 1.71 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.46 0.04 0.00 0.00 9 A 8.49 4.13 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 10 G 6.31 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 0.00 0.00 0.00 11 F 8.29 5.18 0.00 1.87 2.62 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 12 H 8.79 5.32 0.00 2.55 2.83 0.00 5.60 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 13 A 9.18 5.05 1.30 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 0.00 0.00 0.00 14 H 9.09 4.78 0.00 2.69 2.50 0.00 5.61 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.53 3.97 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 0.00 0.00 0.63 0.00 0.00 0.71 0.00 0.00 16 Y 8.33 4.70 0.00 3.16 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.01 5.16 0.00 3.12 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 18 D 9.37 5.04 0.00 2.94 2.86 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 19 A 9.01 4.12 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 20 A 7.92 4.15 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 21 S 8.01 4.73 0.00 4.20 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 0.00 22 R 7.80 3.85 0.00 2.38 2.06 0.00 3.23 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 23 D 8.09 4.33 0.00 2.77 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 24 V 8.00 3.63 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 1.20 0.00 0.00 0.99 0.00 0.00 25 A 8.47 4.17 1.49 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 26 A 8.44 4.23 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 27 R 8.08 3.99 0.00 2.11 2.07 0.00 3.17 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 28 V 8.33 3.96 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 1.34 0.00 0.00 1.16 0.00 0.00 29 R 8.43 3.96 0.00 1.82 2.05 0.00 2.56 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.97 0.00 30 E 8.44 4.01 0.00 2.06 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 2.27 2.45 0.00 31 G 8.32 3.60 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 0.00 0.00 0.00 32 L 7.97 3.93 0.00 1.92 1.78 1.16 0.89 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 33 G 7.93 3.59 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 0.00 0.00 0.00 34 A 7.69 4.05 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 35 R 6.74 3.84 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.12 0.00 36 F 6.86 4.96 0.00 2.88 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 37 E 8.94 4.39 0.00 2.13 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 2.34 2.32 0.00 38 V 8.00 4.97 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 0.76 0.00 0.00 1.03 0.00 0.00 39 Q 9.26 4.68 0.00 1.66 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.92 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 40 L 8.63 4.77 0.00 1.54 1.65 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 41 G 9.00 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 42 R 8.47 4.39 0.00 1.63 1.88 0.00 2.92 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.89 0.00 43 W 8.66 4.34 0.00 3.47 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 44 F 8.76 4.81 0.00 3.09 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 45 D 9.09 5.01 0.00 2.89 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 46 K 7.77 4.78 0.00 1.79 1.73 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.52 7.81 47 P 0.00 4.36 0.00 1.99 2.11 0.00 3.66 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.20 0.00 48 I 7.73 4.43 1.64 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.41 0.20 0.00 0.00 49 G 7.59 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 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.45 0.00 2.07 2.22 0.00 3.39 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 1.40 1.72 0.00 51 H 8.03 4.91 0.00 3.27 3.42 0.00 5.61 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.01 0.00 2.04 2.22 0.00 3.61 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 53 K 7.58 4.60 0.00 1.71 1.62 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.26 1.27 7.81 54 G 8.15 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 0.00 0.00 0.00 *56 Y 8.22 5.05 0.00 3.08 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 57 Q 8.58 4.79 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.88 0.00 0.00 0.00 0.00 0.00 2.15 1.98 0.00 58 V 8.92 4.96 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 0.93 0.00 0.00 1.18 0.00 0.00 59 A 9.06 5.29 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 60 F 8.27 5.24 0.00 3.13 3.24 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 61 L 8.77 4.61 0.00 1.87 1.73 0.97 1.09 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 62 P 0.00 4.87 0.00 2.26 2.28 0.00 3.67 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 63 N 8.34 4.66 0.00 2.92 3.02 0.00 0.00 5.97 7.39 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 64 Q 8.24 4.35 0.00 2.12 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.80 0.00 65 F 8.27 3.97 0.00 3.05 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 66 D 7.96 4.50 0.00 2.85 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 67 K 7.14 4.16 0.00 1.58 1.70 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.41 7.81 68 V 6.92 2.31 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 0.00 0.00 0.60 0.00 0.00 -0.03 0.00 0.00 69 V 6.61 3.25 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 0.56 0.00 0.00 0.29 0.00 0.00 70 P 0.00 4.27 0.00 1.99 2.05 0.00 3.44 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 71 W 7.86 4.25 0.00 3.52 3.29 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 72 L 8.20 4.22 0.00 1.85 1.67 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 *74 L 7.88 4.19 0.00 1.37 1.60 0.86 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 7.44 4.63 0.00 1.44 1.72 0.00 0.00 6.60 7.55 0.00 0.00 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 R 7.83 3.87 0.00 2.04 2.28 0.00 3.21 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 77 E 8.43 3.83 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 2.23 2.40 0.00 78 G 8.24 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 79 L 7.62 4.29 0.00 1.78 1.71 1.09 1.07 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 80 D 8.70 5.13 0.00 2.81 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 81 I 9.30 5.17 1.93 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 1.12 1.02 0.90 0.00 0.00 82 L 8.41 3.80 0.00 0.47 1.26 0.02 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.45 5.03 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 1.26 0.00 0.00 0.92 0.00 0.00 84 H 9.11 5.44 0.00 3.40 3.26 0.00 5.51 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.43 0.00 1.85 1.87 0.00 4.02 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.03 0.00 86 E 8.59 4.72 0.00 1.69 1.77 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 1.96 2.05 0.00 87 T 8.74 4.66 4.41 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 1.16 0.00 0.00 88 G 8.75 3.85 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 0.00 0.00 0.00 89 D 7.72 4.54 0.00 2.84 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.56 4.01 1.30 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 0.00 0.00 0.00 91 V 7.62 3.45 2.01 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 1.07 0.00 0.00 0.88 0.00 0.00 92 S 7.99 3.78 0.00 3.55 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 93 D 8.00 4.48 0.00 2.85 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 94 H 8.18 4.29 0.00 3.02 3.33 0.00 5.83 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 95 A 8.04 4.52 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 96 V 7.42 4.11 1.64 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 0.91 0.00 0.00 0.78 0.00 0.00 97 Y 8.27 4.80 0.00 2.96 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 S 7.83 5.09 0.00 3.86 4.05 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 99 L 8.84 5.12 0.00 1.82 1.87 0.94 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 100 W 8.79 5.34 0.00 3.18 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 0.00 101 L 9.43 4.57 0.00 1.66 1.62 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 102 G 9.20 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 0.00 0.00 0.00 0.00 103 A 9.31 4.48 1.11 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 0.00 104 A 8.08 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 5.62 4.27 0.00 1.24 1.26 0.50 0.58 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 0.00 106 A 8.20 4.02 1.16 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 0.00 0.00 107 L 8.21 4.78 0.00 1.68 1.71 1.08 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.64 4.66 0.00 2.74 2.88 0.00 0.00 7.46 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 0.00 109 I 7.58 3.76 1.87 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 1.53 0.74 0.89 0.00 0.00 110 E 8.26 3.87 0.00 2.07 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 2.38 2.43 0.00 111 F 8.00 4.01 0.00 3.05 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 0.00 112 L 7.89 4.05 0.00 1.84 1.64 0.66 0.97 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 0.00 113 R 8.19 3.88 0.00 1.93 1.93 0.00 3.10 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 114 Q 8.16 3.99 0.00 2.25 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 115 L 7.09 3.99 0.00 1.60 1.59 0.81 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 116 S 7.54 4.29 0.00 3.93 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 * Residues marked with a * may have inaccurate shift predictions.