NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *4 R 4.2775 8.2544 119.0757 55.6637 30.8075 174.4297 5 K 4.1588 8.4886 126.4561 54.6071 33.3878 173.6758 6 A 5.1865 8.8184 130.0284 50.8501 20.7524 175.8688 7 V 4.3455 8.8254 122.4765 61.2912 34.8558 174.2230 8 I 4.5409 8.5135 129.1560 60.7206 37.4856 175.6546 9 K 4.3426 9.0326 127.4736 58.3697 33.3140 177.3001 10 N 5.1374 8.0571 118.2981 52.4053 42.2426 172.9018 11 A 5.2305 8.8402 127.0327 50.3449 22.6765 175.2345 12 D 5.0323 9.1316 121.0218 51.1039 41.1180 173.9624 13 M 5.3046 8.0271 117.2429 54.6075 34.2540 175.5094 14 S 4.2738 8.4127 114.3189 57.9942 64.0048 174.6228 15 E 3.8622 9.0483 123.0329 59.8038 29.0933 179.1802 16 E 3.9302 8.0569 118.3948 59.6261 29.8475 178.2897 17 M 3.9330 7.7617 118.3469 58.5831 32.1918 178.1432 18 Q 3.8385 8.2042 118.3511 58.8880 28.8509 178.5469 19 Q 3.8567 7.7422 120.5558 59.3651 29.1314 177.9713 20 D 4.4625 8.3023 119.6571 57.3126 40.7961 178.6772 21 A 3.9014 8.3196 121.6360 55.0278 18.2364 179.8866 22 V 3.4342 7.4136 116.5406 66.2842 31.6804 177.7090 23 D 4.4068 8.4021 119.0796 57.8713 40.7097 178.7555 24 C 4.3408 8.3658 118.6719 62.4028 31.5427 175.4185 25 A 4.1378 8.4159 122.5633 55.3790 17.8574 179.6568 26 T 3.8228 8.3018 114.5840 66.7981 68.6008 176.4847 27 Q 3.8183 7.9676 120.6371 59.1457 29.1079 178.1871 28 A 3.3766 7.6612 121.6419 55.0771 18.2109 179.6569 29 L 4.2037 8.0262 116.4466 57.5515 41.6757 179.1996 30 E 4.0904 7.6805 118.0618 58.7461 29.5168 178.8147 31 K 3.7777 7.5524 118.6873 58.1869 32.6821 176.4024 32 Y 4.9609 7.4913 114.9373 56.3312 40.6865 175.2091 33 N 4.7857 8.7866 118.4755 54.2239 40.6447 176.1692 34 I 4.1456 7.5865 119.7344 60.1128 38.7430 175.9229 35 E 3.8993 8.8847 125.0331 59.6115 29.3875 179.2665 36 K 3.7637 8.0433 118.6614 59.8284 32.1855 178.2514 37 D 3.9942 7.8526 118.3020 57.1904 40.5776 178.5840 38 I 3.7260 7.9011 120.3175 64.2670 37.1330 178.2220 39 A 3.9263 8.4419 121.5528 55.1339 18.2694 179.2034 40 A 3.8689 8.4000 119.5262 55.6184 18.3799 178.8702 41 Y 3.9890 7.9382 117.6879 61.2104 38.7601 178.7344 42 I 3.8015 7.7374 120.2961 64.1492 37.2040 178.3013 43 K 3.9162 7.9600 120.3806 59.6117 32.0990 178.9899 44 K 3.9796 8.0483 118.6387 59.3950 31.9466 178.9502 45 E 3.8050 8.0062 119.6025 59.3744 29.5256 178.9138 46 F 3.7448 8.4817 117.8027 60.0774 39.0246 177.5089 47 D 4.6559 8.6399 119.2544 57.3591 40.3687 179.1017 48 K 4.0193 7.8758 117.9512 59.4050 32.2216 179.2011 49 K 3.8900 7.5265 116.9587 57.7520 32.0686 177.4172 50 Y 4.6782 7.2094 113.8151 56.9461 39.0883 172.0558 51 N 4.5559 7.9346 122.0563 51.7862 39.2024 172.7073 52 P 5.3449 0.0000 0.0000 62.8010 31.9545 175.5414 53 T 4.7935 8.0043 115.5550 61.7388 71.3713 173.3244 54 W 4.7767 9.1283 125.5662 55.2885 32.0020 175.0237 55 H 4.9546 8.6096 118.6404 54.1227 31.9234 172.3193 56 C 5.3310 8.6722 121.2329 57.6938 34.8902 172.9619 57 I 4.4577 8.9610 125.7822 59.3969 40.2948 174.4713 58 V 4.8111 7.8699 126.2550 61.1897 34.1691 174.5585 59 G 4.2421 8.7769 112.5192 46.2108 0.0000 174.4413 60 R 4.5027 8.9694 119.0497 57.7162 30.5924 176.9284 61 N 4.7815 7.9781 115.9160 52.7923 39.5435 172.7401 62 F 4.9923 7.9409 118.5001 55.4975 40.6762 173.9097 63 G 4.1963 8.5695 109.8939 43.7345 0.0000 171.9490 64 S 4.7502 8.1509 113.6205 56.6902 66.2003 173.6478 65 Y 4.3785 8.1349 121.8636 57.0432 39.4140 174.0177 66 V 4.3271 7.4868 119.5262 59.5922 35.6569 175.4713 67 T 4.3542 8.2093 119.0099 62.3579 69.9339 173.4404 68 H 5.6378 8.1431 121.9099 53.3800 31.7197 174.2459 69 E 4.1332 8.9814 119.8497 56.4226 30.3747 176.8607 70 T 4.2625 8.4798 118.6856 63.9056 68.1365 174.3444 71 R 4.1652 9.1625 125.9392 56.7700 29.5205 175.4134 72 H 5.6167 8.1736 114.1216 53.9624 28.5187 173.2128 73 F 5.3781 8.8874 121.0893 56.9842 43.7968 173.7786 74 I 4.9224 8.5247 125.6589 59.5672 41.9836 172.6876 75 Y 5.4812 9.3730 130.3143 55.8828 41.3609 174.1404 76 F 5.1497 8.8298 120.5909 56.0209 42.2563 172.4350 77 Y 4.7214 9.1145 117.5324 56.1394 40.6147 174.8939 78 L 5.0310 8.7014 125.3193 52.9834 45.1084 177.2691 79 G 3.8989 9.0248 117.9232 47.1799 0.0000 173.7078 80 Q 4.5544 9.0371 124.1548 55.2353 29.7785 174.1109 81 V 4.1855 7.6788 117.9278 62.5613 32.9847 174.6658 82 A 4.1072 8.9402 130.2419 50.6624 20.8813 175.8750 83 I 4.8608 8.4654 122.1509 59.3070 40.9630 174.1696 84 L 5.1365 9.3500 129.9688 53.3322 44.1046 174.7611 85 L 5.5094 8.8899 128.6706 53.3891 45.2772 175.1233 86 F 5.6643 9.0025 119.5098 56.1874 42.0110 172.7970 87 K 4.6820 8.7397 118.8210 53.4568 34.4534 176.0991 88 S 4.7547 8.6643 119.2375 58.4074 63.3424 174.0220 89 G 3.8436 8.8896 113.3341 46.3618 0.0000 173.3884 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 R 8.25 4.28 0.00 1.85 1.83 0.00 3.23 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 5 K 8.49 4.16 0.00 1.93 1.73 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.52 1.52 7.81 6 A 8.82 5.19 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 7 V 8.83 4.35 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 1.03 0.00 0.00 0.93 0.00 0.00 8 I 8.51 4.54 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.67 1.00 0.00 0.00 9 K 9.03 4.34 0.00 1.43 1.90 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.55 7.81 10 N 8.06 5.14 0.00 3.10 3.08 0.00 0.00 6.78 8.15 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 11 A 8.84 5.23 1.24 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 12 D 9.13 5.03 0.00 2.80 2.61 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 0.00 0.00 0.00 0.00 13 M 8.03 5.30 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 14 S 8.41 4.27 0.00 4.04 4.06 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 15 E 9.05 3.86 0.00 2.05 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 2.38 2.40 0.00 16 E 8.06 3.93 0.00 2.09 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 2.41 2.39 0.00 17 M 7.76 3.93 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.51 0.00 18 Q 8.20 3.84 0.00 2.28 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 19 Q 7.74 3.86 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 20 D 8.30 4.46 0.00 3.01 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 21 A 8.32 3.90 0.96 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 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.41 3.43 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 1.12 0.00 0.00 0.47 0.00 0.00 23 D 8.40 4.41 0.00 2.75 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 24 C 8.37 4.34 0.00 3.28 3.36 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 25 A 8.42 4.14 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.30 3.82 4.48 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 1.22 0.00 0.00 27 Q 7.97 3.82 0.00 2.40 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.35 0.00 28 A 7.66 3.38 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 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.03 4.20 0.00 1.76 1.74 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.68 4.09 0.00 1.80 1.93 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 2.30 2.58 0.00 31 K 7.55 3.78 0.00 1.36 1.30 0.00 1.49 0.00 0.00 1.39 0.00 0.00 2.90 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 0.89 7.81 32 Y 7.49 4.96 0.00 3.00 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 33 N 8.79 4.79 0.00 2.73 2.87 0.00 0.00 6.97 7.45 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 34 I 7.59 4.15 2.11 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.75 0.89 0.00 0.00 35 E 8.88 3.90 0.00 2.01 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 2.52 2.45 0.00 36 K 8.04 3.76 0.00 1.76 1.76 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.50 7.81 37 D 7.85 3.99 0.00 2.57 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.90 3.73 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.93 0.00 0.00 39 A 8.44 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.40 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 7.94 3.99 0.00 3.28 3.25 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 42 I 7.74 3.80 1.89 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 1.54 0.64 0.74 0.00 0.00 43 K 7.96 3.92 0.00 1.82 1.94 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.67 7.81 44 K 8.05 3.98 0.00 1.76 1.77 0.00 1.86 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.42 7.81 45 E 8.01 3.80 0.00 1.98 2.10 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 2.27 2.34 0.00 46 F 8.48 3.74 0.00 2.93 1.81 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 47 D 8.64 4.66 0.00 2.91 2.78 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 48 K 7.88 4.02 0.00 1.78 1.75 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.60 7.81 49 K 7.53 3.89 0.00 1.04 0.74 0.00 1.41 0.00 0.00 1.43 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.08 1.17 7.81 50 Y 7.21 4.68 0.00 3.29 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 51 N 7.93 4.56 0.00 3.05 2.90 0.00 0.00 6.87 7.90 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 52 P 0.00 5.34 0.00 2.04 2.03 0.00 3.70 0.00 0.00 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 53 T 8.00 4.79 4.11 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 1.08 0.00 0.00 54 W 9.13 4.78 0.00 3.10 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 55 H 8.61 4.95 0.00 2.33 2.98 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 C 8.67 5.33 0.00 2.91 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 57 I 8.96 4.46 1.51 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.75 -0.09 0.00 0.00 58 V 7.87 4.81 2.19 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 0.77 0.00 0.00 0.88 0.00 0.00 59 G 8.78 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 60 R 8.97 4.50 0.00 1.87 2.06 0.00 3.25 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 61 N 7.98 4.78 0.00 2.69 2.76 0.00 0.00 6.79 7.02 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 62 F 7.94 4.99 0.00 3.10 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 63 G 8.57 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 64 S 8.15 4.75 0.00 3.93 3.93 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 65 Y 8.13 4.38 0.00 2.83 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 66 V 7.49 4.33 1.48 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 0.53 0.00 0.00 0.10 0.00 0.00 67 T 8.21 4.35 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 1.12 0.00 0.00 68 H 8.14 5.64 0.00 3.44 3.48 0.00 5.73 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.98 4.13 0.00 1.95 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 2.34 2.42 0.00 70 T 8.48 4.26 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 71 R 9.16 4.17 0.00 1.84 2.03 0.00 3.29 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 72 H 8.17 5.62 0.00 3.13 2.67 0.00 5.80 0.00 0.00 0.00 0.00 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.89 5.38 0.00 2.81 2.66 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 0.00 0.00 0.00 0.00 74 I 8.52 4.92 1.84 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.20 0.95 0.00 0.00 75 Y 9.37 5.48 0.00 2.84 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 76 F 8.83 5.15 0.00 3.22 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 77 Y 9.11 4.72 0.00 2.82 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 78 L 8.70 5.03 0.00 1.70 1.50 1.12 1.06 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 79 G 9.02 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 80 Q 9.04 4.55 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 81 V 7.68 4.19 2.19 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 0.87 0.00 0.00 0.95 0.00 0.00 82 A 8.94 4.11 0.20 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 83 I 8.47 4.86 0.56 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.25 0.82 0.00 0.00 84 L 9.35 5.14 0.00 2.05 1.67 0.90 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.89 5.51 0.00 1.72 1.42 0.77 -0.86 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 86 F 9.00 5.66 0.00 3.48 3.21 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 87 K 8.74 4.68 0.00 1.30 1.31 0.00 0.61 0.00 0.00 0.96 0.00 0.00 2.33 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.30 0.21 7.81 88 S 8.66 4.75 0.00 3.97 3.80 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 89 G 8.89 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 * Residues marked with a * may have inaccurate shift predictions.