NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6411 8.1476 118.3373 54.6893 33.5082 174.3020 2 V 3.7235 8.3484 120.5751 61.9811 32.6028 173.9353 3 K 5.0979 9.7900 126.3986 53.7918 36.5244 175.7622 4 I 5.0470 7.9400 120.1425 60.4643 40.9538 175.1783 5 R 4.7798 8.8817 123.6393 55.8313 32.6795 173.2710 6 L 5.2454 8.6422 117.6846 53.5962 43.1347 176.6178 7 A 4.4944 8.5989 123.2044 50.0051 21.7182 175.6337 8 R 3.5616 8.2672 121.9341 57.3580 30.5329 176.1778 9 F 4.1579 8.4528 124.7385 53.2964 44.5341 175.1009 10 G 3.7857 9.4729 116.4784 48.0267 0.0000 173.3647 11 S 4.4686 8.4775 119.6428 57.1330 63.9256 172.3023 12 K 4.0912 8.6269 123.5406 58.0888 32.5519 177.6608 13 H 4.3684 9.0799 121.9735 56.7574 26.2987 174.6062 14 N 5.1129 7.5984 115.1723 51.3081 39.0203 172.4103 15 P 4.3618 0.0000 0.0000 64.1380 32.5997 177.6545 16 H 4.8589 8.7920 120.3541 54.9669 31.5479 172.7454 17 Y 5.0301 9.0441 121.5969 57.9372 39.7270 175.2649 18 R 4.5338 8.4924 118.0504 55.9096 32.7791 174.3045 19 I 4.8718 8.5455 128.0927 61.4736 38.3448 175.7973 20 V 4.2957 8.0897 123.3963 61.0346 34.7808 172.5816 21 V 4.9169 7.6652 122.1306 59.9560 31.9737 174.6468 22 T 4.7308 8.0197 120.6530 60.0907 71.7188 171.9494 23 D 4.6795 9.2659 123.5758 54.5255 41.4836 179.0243 24 A 3.5181 8.2771 127.7540 54.5084 20.0265 178.2503 25 R 3.9630 7.6166 113.0923 59.1293 30.3702 177.6575 26 R 4.0916 8.1249 116.4677 55.9322 30.7257 175.7934 27 K 4.3672 8.1365 117.0848 55.7605 34.1052 177.4687 28 R 3.8231 8.6255 120.5042 59.7416 29.7448 177.6729 29 D 4.8356 7.7501 114.0611 53.8828 41.9125 179.3769 30 G 3.8516 7.5574 111.0445 45.3394 0.0000 176.4764 31 K 4.0606 8.2873 124.5440 54.6069 31.2500 175.9063 32 Y 4.4496 7.4084 123.0436 56.3879 39.0156 176.4173 33 I 3.9495 8.2716 122.5413 64.3299 38.0257 176.4536 34 E 4.4519 7.2978 118.1225 54.9364 32.9061 174.9430 35 K 3.6904 8.4785 129.7948 56.6000 32.2574 175.8386 36 I 4.0558 7.9827 121.2010 62.6354 38.0773 176.0461 37 G 4.1729 7.8374 108.1935 43.3109 0.0000 168.4092 38 Y 5.5867 6.9374 117.3330 57.3672 40.8500 172.7737 39 Y 4.6042 7.7081 117.7208 60.1262 41.7238 173.4417 40 D 5.2302 6.0500 130.9917 53.8744 42.8445 176.2068 41 P 4.3326 0.0000 0.0000 64.2950 31.3699 177.3324 42 R 4.2314 8.7144 118.3932 55.7759 30.5421 176.7939 43 K 4.0144 8.0233 116.9878 57.2232 30.2942 176.6256 44 T 4.0446 7.5882 107.5851 63.5223 68.9396 173.8088 45 T 4.7365 7.6491 117.2353 59.3414 70.3355 172.7455 46 P 4.4722 0.0000 0.0000 65.1204 31.7886 176.5119 47 D 5.1241 8.1658 119.8592 53.4549 41.1892 177.8907 48 W 4.3945 8.0808 116.1589 58.0424 28.3279 175.0397 49 L 4.3419 8.0881 118.6869 54.8238 44.7862 173.3735 50 K 4.2442 7.6915 122.4906 55.9084 35.5038 174.1043 51 V 4.1702 7.7318 123.5753 62.5834 35.1063 173.9408 52 D 4.6088 8.3802 119.4335 51.0958 41.7480 175.1689 53 V 3.5881 8.3169 118.1311 64.1685 31.5006 177.1245 54 E 3.9051 8.2548 116.6092 59.7117 29.5412 179.2977 55 R 4.1980 7.8698 116.3976 58.9011 30.5795 178.4105 56 A 4.0928 8.3622 120.9581 55.5698 17.9972 179.7102 57 R 3.7933 8.3538 116.6134 60.0648 30.3971 177.0044 58 Y 3.7136 8.5648 120.0989 59.2069 38.4106 177.4436 59 W 4.7732 8.4282 120.1923 60.3601 29.5390 178.4303 60 L 4.2226 7.9809 119.2294 57.6046 40.8754 179.3776 61 S 4.1102 8.4584 113.7193 60.5318 63.0609 175.7558 62 V 4.5739 7.3452 114.5204 60.2946 32.5860 175.6173 63 G 3.8431 7.8438 109.9696 46.1199 0.0000 173.5331 64 A 4.7867 8.6255 124.5698 51.2012 21.9718 176.8931 65 Q 3.3293 7.4692 110.4350 55.2522 27.0311 174.2578 66 P 4.6197 0.0000 0.0000 61.6008 32.9520 175.5700 67 T 4.0095 8.0888 115.3920 63.8071 68.5146 174.6978 68 D 4.3679 8.2319 121.6244 57.8012 40.5624 178.4621 69 T 3.9476 7.6714 113.3375 63.8665 67.7751 175.6158 70 A 4.1014 7.6908 122.6925 55.5973 19.0090 179.7001 71 R 4.1068 8.1434 114.1679 59.1892 29.1520 178.9084 72 R 3.8180 7.8787 119.3627 59.2793 29.9838 177.5036 73 L 4.2638 7.6326 115.3167 55.6789 42.0887 178.1682 74 L 4.3534 7.8405 119.9206 56.6934 41.4432 178.9751 75 R 4.3571 7.9617 117.7649 58.7966 30.1682 177.8517 76 Q 4.2896 7.6281 115.3618 57.1357 28.8755 176.3185 77 A 4.3995 7.5837 117.6315 51.7480 21.1313 176.7570 78 G 3.8470 9.3477 101.5187 47.3081 0.0000 173.9776 79 V 4.3388 8.2449 121.6354 62.0929 33.3719 176.0850 80 F 4.4025 8.5386 116.4993 58.7423 39.6074 176.0497 81 R 4.0046 8.2390 121.3682 56.6513 29.9323 175.6462 82 Q 4.4743 8.6657 121.9821 55.3273 29.2949 175.7205 83 E 3.8487 8.2734 122.8911 57.8031 28.1422 174.1739 *84 A 4.1104 7.8408 123.2858 52.3892 18.9361 176.1390 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 M 8.15 4.64 0.00 2.10 2.30 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.52 0.00 2 V 8.35 3.72 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 0.99 0.00 0.00 0.79 0.00 0.00 3 K 9.79 5.10 0.00 1.65 1.76 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.44 7.81 4 I 7.94 5.05 1.87 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 1.35 0.78 0.87 0.00 0.00 5 R 8.88 4.78 0.00 1.86 2.04 0.00 2.76 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 6 L 8.64 5.25 0.00 1.80 2.18 0.86 0.21 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 7 A 8.60 4.49 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 8 R 8.27 3.56 0.00 1.14 1.52 0.00 3.09 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.40 0.00 9 F 8.45 4.16 0.00 3.17 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 10 G 9.47 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 11 S 8.48 4.47 0.00 3.87 3.73 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 12 K 8.63 4.09 0.00 1.76 1.68 0.00 1.86 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.34 7.81 13 H 9.08 4.37 0.00 3.39 3.40 0.00 5.72 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.60 5.11 0.00 2.80 2.80 0.00 0.00 7.21 7.59 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 15 P 0.00 4.36 0.00 2.25 2.46 0.00 3.82 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 16 H 8.79 4.86 0.00 3.26 3.30 0.00 5.81 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 9.04 5.03 0.00 3.18 3.18 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 18 R 8.49 4.53 0.00 1.92 2.10 0.00 3.29 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 19 I 8.55 4.87 1.91 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.28 0.85 0.00 0.00 20 V 8.09 4.30 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 0.93 0.00 0.00 0.34 0.00 0.00 21 V 7.67 4.92 1.47 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 -0.10 0.00 0.00 -0.11 0.00 0.00 22 T 8.02 4.73 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 23 D 9.27 4.68 0.00 2.74 2.53 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 24 A 8.28 3.52 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 25 R 7.62 3.96 0.00 1.75 2.03 0.00 3.18 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 26 R 8.12 4.09 0.00 1.82 1.90 0.00 3.17 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 27 K 8.14 4.37 0.00 1.88 1.89 0.00 1.50 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.36 7.81 28 R 8.63 3.82 0.00 1.76 1.96 0.00 3.22 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 29 D 7.75 4.84 0.00 2.49 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 0.00 0.00 0.00 0.00 30 G 7.56 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 31 K 8.29 4.06 0.00 1.64 1.71 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.33 7.81 32 Y 7.41 4.45 0.00 2.91 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 33 I 8.27 3.95 1.65 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 1.08 0.61 0.78 0.00 0.00 34 E 7.30 4.45 0.00 1.95 1.55 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 2.11 2.21 0.00 35 K 8.48 3.69 0.00 1.16 1.46 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.28 7.81 36 I 7.98 4.06 1.82 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 1.11 0.66 0.94 0.00 0.00 37 G 7.84 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 38 Y 6.94 5.59 0.00 2.92 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 39 Y 7.71 4.60 0.00 2.82 3.02 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 40 D 6.05 5.23 0.00 2.74 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 41 P 0.00 4.33 0.00 2.28 2.27 0.00 3.99 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 42 R 8.71 4.23 0.00 1.99 2.00 0.00 3.30 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 43 K 8.02 4.01 0.00 1.75 1.49 0.00 1.70 0.00 0.00 1.50 0.00 0.00 2.72 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.30 1.47 7.81 44 T 7.59 4.04 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 1.27 0.00 0.00 45 T 7.65 4.74 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 1.28 0.00 0.00 46 P 0.00 4.47 0.00 2.28 2.21 0.00 3.83 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 2.04 2.02 0.00 47 D 8.17 5.12 0.00 2.86 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 48 W 8.08 4.39 0.00 3.59 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.09 4.34 0.00 0.62 0.69 0.89 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.69 4.24 0.00 0.92 0.74 0.00 1.44 0.00 0.00 1.47 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.18 1.11 7.81 51 V 7.73 4.17 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 0.68 0.00 0.00 0.85 0.00 0.00 52 D 8.38 4.61 0.00 2.63 2.43 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 53 V 8.32 3.59 2.04 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 0.72 0.00 0.00 0.91 0.00 0.00 54 E 8.25 3.91 0.00 2.05 2.04 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 2.37 2.37 0.00 55 R 7.87 4.20 0.00 1.96 2.08 0.00 3.28 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.64 0.00 56 A 8.36 4.09 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 57 R 8.35 3.79 0.00 1.81 1.97 0.00 3.23 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 58 Y 8.56 3.71 0.00 2.85 2.65 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 59 W 8.43 4.77 0.00 3.51 3.33 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 60 L 7.98 4.22 0.00 1.81 1.66 0.72 0.73 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 61 S 8.46 4.11 0.00 3.81 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 62 V 7.35 4.57 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 0.60 0.00 0.00 0.99 0.00 0.00 63 G 7.84 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 0.00 0.00 0.00 0.00 64 A 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 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 7.47 3.33 0.00 2.28 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 66 P 0.00 4.62 0.00 2.22 2.11 0.00 3.87 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 67 T 8.09 4.01 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 68 D 8.23 4.37 0.00 2.67 2.63 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 69 T 7.67 3.95 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 1.16 0.00 0.00 70 A 7.69 4.10 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 71 R 8.14 4.11 0.00 2.26 2.33 0.00 2.79 0.00 0.00 3.06 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.57 0.00 72 R 7.88 3.82 0.00 2.00 1.99 0.00 3.16 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 73 L 7.63 4.26 0.00 1.50 1.51 -0.13 0.66 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 74 L 7.84 4.35 0.00 2.36 1.85 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.96 4.36 0.00 1.78 1.93 0.00 3.00 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.97 0.00 76 Q 7.63 4.29 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 77 A 7.58 4.40 1.17 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 78 G 9.35 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 79 V 8.24 4.34 1.61 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 0.62 0.00 0.00 0.96 0.00 0.00 80 F 8.54 4.40 0.00 2.98 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 81 R 8.24 4.00 0.00 1.83 1.91 0.00 3.24 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.65 0.00 82 Q 8.67 4.47 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 5.92 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 83 E 8.27 3.85 0.00 2.15 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 2.22 2.24 0.00 *84 A 7.84 4.11 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 * Residues marked with a * may have inaccurate shift predictions.