NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 C 4.4592 8.3444 118.3641 58.2500 28.5493 172.0686 3 S 4.3490 7.5240 117.1453 57.3838 64.3681 176.0347 *4 F 4.1000 7.8138 122.5342 59.3494 39.6186 177.2272 5 E 3.9439 8.5871 115.7436 59.9743 29.0827 181.6914 6 S 3.7165 7.0716 108.5686 60.9892 63.1614 175.6226 7 L 4.1944 8.1279 122.9881 58.6107 41.8091 180.7516 8 V 3.8613 7.7291 118.5227 66.1319 31.3736 180.8685 9 D 4.9920 8.2605 116.2538 54.2173 40.8034 176.8154 10 Q 4.6149 9.1936 121.6709 56.9211 34.5619 177.8130 11 R 4.0335 8.9770 121.1665 61.1948 29.0600 181.4813 12 I 3.9253 7.6537 111.1112 64.5289 37.6879 178.1775 13 K 4.0953 7.8277 122.7062 58.9414 32.0249 178.1542 14 E 4.3071 7.5100 115.8711 58.8104 30.1411 182.0883 15 A 4.7950 8.4547 120.6013 53.9131 21.2021 178.0092 16 L 4.6251 7.9458 117.7099 53.8409 40.7539 176.7099 17 S 5.3878 7.1603 112.5735 59.4578 64.6117 179.1053 18 R 4.5340 8.3311 118.9543 57.7815 32.5673 178.3356 19 Q 4.2003 8.1711 116.9914 56.7572 29.2988 176.1988 20 E 4.3565 8.3975 116.0514 54.0019 30.7066 175.5253 21 P 4.3555 0.0000 0.0000 62.0146 31.6076 176.3833 22 K 4.3764 8.3958 122.8458 56.2161 33.4513 175.7558 23 T 4.6964 7.7680 113.8556 60.9432 70.9696 172.4987 24 I 4.5478 8.2713 126.7755 61.1328 38.2332 175.3098 25 S 4.8427 9.3791 120.5328 56.7846 65.5903 172.0437 26 C 5.7567 8.7045 121.8786 55.8587 42.6701 172.9460 27 T 4.7803 9.1633 110.5953 60.7196 72.4105 172.6488 28 S 5.8205 8.4611 117.3245 56.4914 65.4751 173.8682 29 V 4.3207 8.1397 121.0850 61.6377 34.4413 174.5294 30 T 5.4156 8.2626 123.4566 60.5124 69.1065 173.7052 31 S 4.4761 8.3321 122.2580 58.1927 65.0282 173.3046 32 S 5.0085 8.5007 116.2610 56.0028 63.9338 173.4232 33 G 4.2408 8.6083 122.0780 46.1619 0.0000 170.9623 34 R 4.5978 9.2162 126.3131 55.3531 33.6370 174.5398 35 L 5.9714 8.2759 117.0057 52.0179 45.1084 175.7330 36 A 4.8248 8.6059 123.9894 50.0982 22.7731 174.4086 37 S 4.9940 8.5127 115.1295 56.4680 65.1541 174.2999 38 C 4.5820 8.8787 125.0708 55.9900 40.1809 172.2012 39 P 4.3881 0.0000 0.0000 61.8268 31.7275 175.4807 40 A 3.9408 8.4045 121.9229 54.5022 18.3303 178.0435 41 G 3.9417 9.4813 110.2199 45.8639 0.0000 172.7521 42 M 4.9933 7.4887 116.3873 53.3365 36.0474 175.4846 43 V 4.0020 8.3987 116.8585 60.7118 33.2648 175.9023 44 V 4.1945 8.3794 124.9786 63.5415 31.5670 175.6042 45 T 4.5904 8.8741 122.6986 63.4105 71.0475 173.9359 46 G 3.9749 7.1892 106.1750 45.9406 0.0000 172.8635 47 C 5.2946 7.6146 116.4624 54.7293 41.6363 173.1072 48 A 4.9299 8.2340 120.4828 51.0747 22.6996 174.5177 49 C 4.5077 8.3581 114.9890 55.0397 39.0937 174.4585 50 G 2.8355 6.3668 109.6710 45.2067 0.0000 172.5707 51 Y 4.0868 8.2986 113.9846 59.5744 35.4024 170.8835 52 G 4.0165 8.1120 102.5665 46.4618 0.0000 174.5063 53 C 4.5257 7.9145 119.0845 55.4543 44.0759 173.0850 54 G 4.0973 8.7377 115.1460 45.4283 0.0000 173.1098 55 S 4.6293 7.9029 117.6958 56.3025 63.6790 172.9843 56 W 5.9180 7.6958 120.8063 54.9418 31.8596 173.6893 57 D 5.0755 9.3859 118.2533 52.2530 42.6969 174.1466 58 I 4.9569 8.5419 120.7582 60.6456 38.4352 175.4599 59 R 4.5932 8.8369 125.2861 54.8809 34.0559 175.3763 60 N 4.1174 9.8995 117.4350 54.3118 36.3469 174.6452 61 G 4.3959 8.9379 109.5019 45.5343 0.0000 174.8007 62 N 5.1537 7.8123 114.1365 52.8388 41.5798 173.8299 63 T 5.0459 7.8620 116.2046 61.7390 72.0650 172.9280 64 C 4.6839 9.1770 125.0509 57.1521 42.7564 172.3120 65 H 5.3171 9.2434 122.8424 54.4759 32.3182 171.6320 66 C 4.9326 9.2829 124.9138 57.1487 40.3238 173.9908 67 Q 4.2434 9.0433 121.9849 56.2877 29.0980 176.4617 68 C 4.3894 8.4728 116.8471 58.4435 40.6395 175.0070 69 S 5.6532 7.2410 121.3927 58.9108 59.8389 175.9072 70 V 4.3472 7.1918 119.4172 61.0826 32.9238 174.3700 71 M 4.9838 8.4410 125.7444 53.9771 35.4637 174.6152 72 D 4.7122 8.6187 122.7915 55.5894 42.0981 176.1842 73 W 5.2594 7.0224 113.3889 55.7008 31.5231 172.4449 74 A 4.9521 9.1805 121.1203 50.7627 22.4538 175.3667 75 S 5.3399 9.5493 115.4402 56.6734 67.5059 173.1011 76 A 4.5714 8.7238 122.7089 50.1895 22.1455 175.1608 77 R 4.6540 8.9158 124.4813 55.7444 31.4273 174.3785 78 C 5.5188 9.6226 125.4378 55.4607 38.6401 172.5978 79 C 5.7684 9.1093 119.5683 55.3045 40.6687 173.2325 80 R 4.9471 9.0255 117.8329 54.7941 33.4316 174.4091 81 M 4.8104 8.6338 119.4798 54.4661 31.8580 176.4424 82 A 4.2688 8.4369 125.0660 51.9407 18.4364 176.9484 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 C 8.34 4.46 0.00 2.98 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 3 S 7.52 4.35 0.00 3.88 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 0.00 *4 F 7.81 4.10 0.00 2.25 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 0.00 0.00 0.00 0.00 5 E 8.59 3.94 0.00 1.88 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 0.00 2.33 1.91 0.00 6 S 7.07 3.72 0.00 3.86 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 7 L 8.13 4.19 0.00 1.84 1.71 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.73 3.86 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 0.86 0.00 0.00 0.93 0.00 0.00 9 D 8.26 4.99 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 10 Q 9.19 4.61 0.00 2.30 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 11 R 8.98 4.03 0.00 1.74 1.97 0.00 3.27 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 12 I 7.65 3.93 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 1.52 0.64 1.00 0.00 0.00 13 K 7.83 4.10 0.00 2.06 1.98 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.33 7.81 14 E 7.51 4.31 0.00 2.21 1.83 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 2.25 2.19 0.00 15 A 8.45 4.79 1.28 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 0.00 0.00 16 L 7.95 4.63 0.00 1.65 1.69 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.16 5.39 0.00 3.96 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 18 R 8.33 4.53 0.00 1.80 1.79 0.00 3.28 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 19 Q 8.17 4.20 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 20 E 8.40 4.36 0.00 1.98 1.73 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 2.20 1.86 0.00 21 P 0.00 4.36 0.00 2.17 2.11 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 22 K 8.40 4.38 0.00 1.77 1.77 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.42 7.81 23 T 7.77 4.70 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 1.26 0.00 0.00 24 I 8.27 4.55 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 1.23 0.65 0.94 0.00 0.00 25 S 9.38 4.84 0.00 3.79 3.64 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 26 C 8.70 5.76 0.00 2.82 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 27 T 9.16 4.78 4.22 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 1.19 0.00 0.00 28 S 8.46 5.82 0.00 3.71 3.77 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 29 V 8.14 4.32 2.06 0.00 0.00 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 0.91 0.00 0.00 30 T 8.26 5.42 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 1.05 0.00 0.00 31 S 8.33 4.48 0.00 4.01 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 32 S 8.50 5.01 0.00 4.14 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 33 G 8.61 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 0.00 0.00 0.00 0.00 34 R 9.22 4.60 0.00 1.86 1.87 0.00 3.17 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.58 0.00 35 L 8.28 5.97 0.00 1.54 1.54 0.97 0.91 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 36 A 8.61 4.82 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 37 S 8.51 4.99 0.00 3.84 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 0.00 38 C 8.88 4.58 0.00 3.04 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 39 P 0.00 4.39 0.00 2.17 1.97 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 40 A 8.40 3.94 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 41 G 9.48 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 42 M 7.49 4.99 0.00 1.88 1.99 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.50 0.00 43 V 8.40 4.00 2.09 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 0.69 0.00 0.00 1.01 0.00 0.00 44 V 8.38 4.19 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 0.68 0.00 0.00 0.91 0.00 0.00 45 T 8.87 4.59 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 1.21 0.00 0.00 46 G 7.19 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 0.00 0.00 0.00 47 C 7.61 5.29 0.00 1.23 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 0.00 0.00 0.00 0.00 48 A 8.23 4.93 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 49 C 8.36 4.51 0.00 2.98 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 50 G 6.37 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 0.00 0.00 0.00 51 Y 8.30 4.09 0.00 3.04 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 52 G 8.11 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 53 C 7.91 4.53 0.00 2.94 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 54 G 8.74 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 55 S 7.90 4.63 0.00 3.77 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 56 W 7.70 5.92 0.00 3.41 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 57 D 9.39 5.08 0.00 2.78 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 58 I 8.54 4.96 1.97 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 1.66 1.02 0.96 0.00 0.00 59 R 8.84 4.59 0.00 1.73 1.78 0.00 3.24 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 60 N 9.90 4.12 0.00 2.87 2.90 0.00 0.00 7.09 7.65 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 61 G 8.94 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 62 N 7.81 5.15 0.00 2.63 2.74 0.00 0.00 6.91 7.05 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 63 T 7.86 5.05 4.56 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 0.00 0.00 0.00 1.24 0.00 0.00 64 C 9.18 4.68 0.00 2.92 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 65 H 9.24 5.32 0.00 3.21 3.49 0.00 5.58 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 C 9.28 4.93 0.00 2.82 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 67 Q 9.04 4.24 0.00 1.94 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.95 0.00 0.00 0.00 0.00 0.00 2.54 2.66 0.00 68 C 8.47 4.39 0.00 2.96 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 69 S 7.24 5.65 0.00 3.90 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 70 V 7.19 4.35 1.58 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 0.78 0.00 0.00 0.74 0.00 0.00 71 M 8.44 4.98 0.00 2.18 1.89 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 2.39 2.44 0.00 72 D 8.62 4.71 0.00 2.69 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 73 W 7.02 5.26 0.00 3.45 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 74 A 9.18 4.95 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 75 S 9.55 5.34 0.00 3.83 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 76 A 8.72 4.57 1.14 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 77 R 8.92 4.65 0.00 1.87 1.85 0.00 3.28 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 78 C 9.62 5.52 0.00 2.81 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 79 C 9.11 5.77 0.00 2.82 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 80 R 9.03 4.95 0.00 1.84 2.04 0.00 2.76 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 81 M 8.63 4.81 0.00 1.92 2.09 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 82 A 8.44 4.27 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 * Residues marked with a * may have inaccurate shift predictions.