NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6313 8.1476 118.3351 55.1500 33.4757 173.7820 2 V 4.1325 8.2010 117.6534 61.7530 32.9309 173.8248 3 K 5.0600 9.7771 122.5833 53.7183 37.8237 176.4668 4 I 4.8656 8.2697 121.7912 59.9141 39.8175 174.9936 5 R 4.9617 9.4144 123.6779 55.1000 33.4482 173.7597 6 L 5.2463 8.5589 118.0684 53.7062 43.7330 176.5337 7 A 4.6012 8.5231 121.5711 49.8799 21.7959 175.9564 8 R 3.2089 8.3758 123.0251 57.2534 30.7580 176.3622 9 F 4.2697 8.0402 120.6103 57.4891 44.1570 173.8814 10 G 3.7540 8.9977 110.9646 47.4118 0.0000 170.5203 11 S 4.9468 7.4232 117.2436 56.6578 65.6108 173.6898 12 K 4.1223 8.4416 121.4077 57.8113 32.5474 176.3300 13 H 4.2328 8.6313 116.9696 56.3272 26.6315 175.4899 14 N 4.8186 7.5708 110.2369 52.2525 40.1776 171.0659 15 P 4.6128 0.0000 0.0000 63.4389 33.4781 177.3206 16 H 4.6127 8.0759 111.8746 55.9092 31.7205 173.7395 17 Y 4.6902 8.7918 122.6126 56.7512 39.8970 174.4469 18 R 4.8534 8.7246 119.2852 54.7715 33.1497 173.6871 19 I 4.0322 8.6499 129.1120 62.1239 38.1379 175.7788 20 V 4.8578 9.3376 126.3142 60.1538 35.8852 174.3772 21 V 5.3150 8.7142 114.2043 59.1724 34.0138 175.3516 22 T 4.8794 8.0512 114.4167 59.7101 73.3928 172.3434 23 D 4.6046 8.5590 120.4260 53.4938 42.0623 176.0981 24 A 3.9992 8.4726 130.5057 55.7014 18.4826 179.0038 25 R 4.0341 8.7141 113.3670 59.4747 30.3161 178.1162 26 R 4.0263 7.5332 114.8738 55.8794 30.5269 176.3800 27 K 4.2139 8.2205 119.5226 56.0452 33.0932 176.0246 28 R 3.6786 7.9087 117.5952 60.7456 30.1087 176.5092 29 D 4.4057 7.8214 116.2603 54.5898 41.2931 179.1835 30 G 3.8326 7.5453 109.8118 45.2628 0.0000 172.8997 31 K 4.1892 8.4557 123.3637 54.9070 32.7660 177.1822 32 Y 4.5407 7.8998 124.5618 56.6788 39.0470 175.3974 33 I 4.0405 8.4563 121.4082 62.4582 38.0047 176.5597 34 E 5.1984 7.5652 119.7646 55.6824 31.9554 175.6211 35 K 4.3631 8.7822 127.2067 56.1185 33.2750 176.5417 36 I 4.5372 8.4530 112.7957 59.8637 40.4247 174.4950 37 G 4.5239 7.2394 108.6228 46.4483 0.0000 170.7776 38 Y 5.5013 6.8212 116.2692 55.6374 42.1074 173.7366 39 Y 6.1217 8.8655 120.9459 56.5216 43.1148 173.0692 40 D 4.8714 9.4400 126.6582 50.8495 42.8657 175.5388 41 P 4.9763 0.0000 0.0000 61.0455 30.1015 177.4530 42 R 4.3217 8.0159 112.1244 56.9377 36.8909 175.5436 43 K 3.8205 7.8950 117.9212 57.5755 29.8759 175.5135 44 T 4.0864 8.5820 108.2556 63.6171 69.5394 175.4260 45 T 4.7537 7.6173 118.6783 60.6945 70.9925 173.3988 46 P 4.2470 0.0000 0.0000 65.0510 31.7071 176.6585 47 D 4.9557 7.4521 119.9386 52.4615 40.1301 175.2454 48 W 4.7642 8.3420 120.1102 57.8981 30.2838 176.8349 49 L 5.0253 6.3788 120.1697 53.0024 44.2076 175.6407 50 K 4.0285 7.4688 119.8559 55.8052 36.4590 173.9671 51 V 4.5146 8.0969 127.0730 61.4338 34.4351 173.2876 52 D 4.3000 9.1112 129.6196 54.6764 41.4399 177.3375 53 V 3.4907 8.6950 120.2289 64.6597 31.7824 178.0944 54 E 3.9283 8.1409 117.8743 59.8930 29.3309 179.7223 55 R 3.8267 8.8617 117.8483 59.2584 30.0122 178.8988 56 A 4.1904 7.9263 119.9622 55.3193 18.4679 179.7328 57 R 3.9178 9.8730 116.3650 59.8680 30.0998 178.0210 58 Y 4.0911 8.0327 120.7767 59.7422 38.5050 177.9901 59 W 4.7525 8.2032 120.8927 59.6737 29.5730 177.9505 60 L 4.4108 7.7299 119.0211 56.7344 41.5670 178.8653 61 S 3.8984 8.2590 113.5181 60.3864 62.9093 175.7443 62 V 4.0473 7.5899 112.4188 60.3893 31.9559 172.5676 63 G 3.8401 9.8787 115.7478 46.0168 0.0000 174.1885 64 A 4.9743 8.2022 122.3073 51.1710 19.4914 174.9893 65 Q 4.0017 7.8050 119.7946 55.3210 30.1310 176.2346 66 P 4.9556 0.0000 0.0000 61.6823 33.3945 175.7576 67 T 3.9530 8.4635 117.9779 64.3083 69.6243 174.7821 68 D 4.2990 9.0558 123.2681 58.2420 40.9136 178.8408 69 T 4.0805 7.8646 109.0780 63.0929 67.7561 174.9286 70 A 4.3860 8.1947 123.2305 54.6354 19.0736 179.6775 71 R 3.9186 8.1129 117.5667 60.6631 30.2800 178.0218 72 R 3.4275 8.1887 113.7385 59.6734 29.9966 177.3636 73 L 3.7664 7.9602 117.2003 58.5035 42.3982 178.9197 74 L 3.8592 7.8005 117.5662 58.4279 41.1356 179.2338 75 R 4.2931 9.4896 118.5724 60.3173 29.8598 178.0629 76 Q 4.0988 8.7280 119.3523 59.2162 29.0006 178.1701 77 A 4.3696 7.8818 119.7923 50.7327 20.0962 177.5585 78 G 3.8602 8.8549 107.6084 47.6346 0.0000 174.3838 79 V 3.7780 7.7051 116.5749 64.1525 32.7460 176.6278 80 F 4.4262 8.1813 116.7165 58.4249 39.9202 175.9128 81 R 3.8448 8.0779 119.9651 57.0902 29.6424 175.3847 82 Q 4.4373 8.6207 121.7654 55.0411 30.1245 175.5870 83 E 3.8174 8.2082 121.6135 57.4749 28.1128 174.0488 *84 A 4.1104 7.8031 123.6952 52.4232 18.9361 176.1936 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 4.63 0.00 2.09 2.33 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 2 V 8.20 4.13 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 0.86 0.00 0.00 0.78 0.00 0.00 3 K 9.78 5.06 0.00 1.64 1.68 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.38 7.81 4 I 8.27 4.87 1.91 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 1.48 0.77 0.94 0.00 0.00 5 R 9.41 4.96 0.00 1.83 2.03 0.00 2.78 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 1.64 0.00 6 L 8.56 5.25 0.00 1.78 2.14 1.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.52 4.60 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 8 R 8.38 3.21 0.00 1.41 1.49 0.00 3.08 0.00 0.00 3.06 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.97 0.00 9 F 8.04 4.27 0.00 3.30 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 10 G 9.00 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 0.00 0.00 0.00 11 S 7.42 4.95 0.00 3.81 3.81 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 12 K 8.44 4.12 0.00 1.65 1.63 0.00 1.74 0.00 0.00 1.44 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.08 1.31 7.81 13 H 8.63 4.23 0.00 3.28 3.28 0.00 5.79 0.00 0.00 0.00 0.00 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.57 4.82 0.00 2.78 2.76 0.00 0.00 7.07 7.71 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 15 P 0.00 4.61 0.00 2.13 2.27 0.00 3.80 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 2.11 2.20 0.00 16 H 8.08 4.61 0.00 3.10 3.25 0.00 5.81 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.79 4.69 0.00 3.10 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 18 R 8.72 4.85 0.00 2.15 2.02 0.00 3.06 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 19 I 8.65 4.03 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.67 0.91 0.00 0.00 20 V 9.34 4.86 1.88 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 0.84 0.00 0.00 0.57 0.00 0.00 21 V 8.71 5.31 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 0.59 0.00 0.00 0.00 0.00 0.00 22 T 8.05 4.88 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 1.29 0.00 0.00 23 D 8.56 4.60 0.00 2.67 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 24 A 8.47 4.00 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 25 R 8.71 4.03 0.00 1.87 2.03 0.00 3.19 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 26 R 7.53 4.03 0.00 1.97 1.89 0.00 3.18 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 27 K 8.22 4.21 0.00 1.84 1.83 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.35 7.81 28 R 7.91 3.68 0.00 1.84 1.81 0.00 3.18 0.00 0.00 3.34 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 29 D 7.82 4.41 0.00 2.58 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 30 G 7.55 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 31 K 8.46 4.19 0.00 1.66 1.69 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.24 7.81 32 Y 7.90 4.54 0.00 3.05 2.90 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 I 8.46 4.04 1.67 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 1.21 0.64 0.81 0.00 0.00 34 E 7.57 5.20 0.00 2.21 1.95 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 2.30 2.26 0.00 35 K 8.78 4.36 0.00 1.36 1.68 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.25 7.81 36 I 8.45 4.54 1.88 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 1.33 0.98 1.04 0.00 0.00 37 G 7.24 4.52 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 0.00 38 Y 6.82 5.50 0.00 3.07 3.06 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 0.00 0.00 0.00 0.00 39 Y 8.87 6.12 0.00 2.98 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 40 D 9.44 4.87 0.00 2.78 2.75 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 41 P 0.00 4.98 0.00 2.11 1.65 0.00 3.21 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.68 0.00 42 R 8.02 4.32 0.00 1.93 1.89 0.00 3.28 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 43 K 7.90 3.82 0.00 1.49 1.43 0.00 1.13 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 44 T 8.58 4.09 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 1.21 0.00 0.00 45 T 7.62 4.75 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 1.37 0.00 0.00 46 P 0.00 4.25 0.00 2.27 2.27 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 47 D 7.45 4.96 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 W 8.34 4.76 0.00 3.89 3.40 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 49 L 6.38 5.03 0.00 0.76 0.62 0.75 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.47 4.03 0.00 1.30 0.74 0.00 1.18 0.00 0.00 1.26 0.00 0.00 2.66 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.98 1.09 7.81 51 V 8.10 4.51 1.96 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 0.70 0.00 0.00 0.81 0.00 0.00 52 D 9.11 4.30 0.00 2.74 2.52 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 53 V 8.69 3.49 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 0.79 0.00 0.00 0.88 0.00 0.00 54 E 8.14 3.93 0.00 2.07 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 2.38 2.36 0.00 55 R 8.86 3.83 0.00 2.02 2.18 0.00 3.25 0.00 0.00 3.50 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.87 0.00 56 A 7.93 4.19 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 57 R 9.87 3.92 0.00 1.98 1.94 0.00 3.22 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 58 Y 8.03 4.09 0.00 2.87 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 59 W 8.20 4.75 0.00 3.45 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 7.73 4.41 0.00 1.81 1.71 0.86 0.80 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 61 S 8.26 3.90 0.00 3.81 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 62 V 7.59 4.05 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 0.00 0.00 1.05 0.00 0.00 63 G 9.88 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 8.20 4.97 1.34 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 0.00 0.00 0.00 65 Q 7.81 4.00 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 66 P 0.00 4.96 0.00 2.13 2.11 0.00 3.86 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 67 T 8.46 3.95 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 1.27 0.00 0.00 68 D 9.06 4.30 0.00 2.70 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 69 T 7.86 4.08 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 1.22 0.00 0.00 70 A 8.19 4.39 1.40 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 71 R 8.11 3.92 0.00 2.23 1.89 0.00 3.09 0.00 0.00 2.95 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 72 R 8.19 3.43 0.00 1.89 1.71 0.00 3.26 0.00 0.00 3.32 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 73 L 7.96 3.77 0.00 1.62 1.52 0.74 -0.29 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 74 L 7.80 3.86 0.00 2.09 1.81 0.99 0.55 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 9.49 4.29 0.00 1.83 2.28 0.00 3.09 0.00 0.00 3.04 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 76 Q 8.73 4.10 0.00 2.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.16 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 77 A 7.88 4.37 1.21 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 78 G 8.85 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 79 V 7.71 3.78 1.66 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 0.17 0.00 0.00 0.84 0.00 0.00 80 F 8.18 4.43 0.00 3.01 3.11 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 81 R 8.08 3.84 0.00 1.80 1.93 0.00 3.19 0.00 0.00 3.42 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 82 Q 8.62 4.44 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 5.93 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 83 E 8.21 3.82 0.00 2.14 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 2.21 2.23 0.00 *84 A 7.80 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.