NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2128 8.2993 121.7697 56.3104 33.4203 173.9486 4 V 4.2042 7.9899 118.5916 59.1151 32.9854 174.0840 5 C 4.4208 9.4698 125.5012 59.6180 33.0228 175.6509 6 E 4.0526 9.2780 126.7229 59.5487 28.9479 178.4669 7 I 3.9921 7.3938 119.0328 63.8901 37.7237 177.3224 8 S 4.1339 7.7942 116.3191 59.2171 63.5331 175.6057 9 G 4.0970 8.2684 107.6100 44.7907 0.0000 173.0377 10 K 3.7855 7.6099 122.1197 56.8272 32.3297 175.8025 11 R 5.0139 8.2149 121.4763 52.8741 32.6727 172.9397 12 P 4.7641 0.0000 0.0000 63.9111 31.4003 175.4298 13 I 4.5867 8.8037 116.7323 59.0364 41.2220 174.1157 14 V 4.6496 8.2539 122.1568 61.2794 33.0978 174.4103 15 A 4.8539 9.0014 128.8018 50.3153 22.9037 174.1586 16 N 5.1993 8.5711 115.8496 52.0794 41.8785 174.8828 17 S 4.5580 9.3115 115.6171 56.8904 64.5957 172.9670 18 I 4.3229 8.3502 129.1594 60.0405 38.2522 175.6107 19 Q 4.4409 8.7452 128.0800 54.8665 29.6858 175.4376 20 R 5.1825 8.5744 122.7504 54.4675 33.4368 175.4957 21 R 4.6246 8.9276 119.2623 55.1132 34.7711 175.7324 22 G 4.1825 9.0731 106.1421 45.2156 0.0000 172.6305 23 K 4.3190 8.2266 119.3305 54.2081 33.4955 175.8854 24 A 4.1201 8.4392 128.6936 52.1872 19.2238 178.1336 25 K 4.7238 9.0031 123.3306 59.0962 32.0958 179.4776 26 R 4.1437 8.0530 114.6992 58.4505 29.2797 177.3242 27 E 4.5485 8.0386 116.6538 55.7315 30.5369 176.3139 28 G 3.9780 8.5718 108.1065 45.0172 0.0000 174.0656 29 G 4.1072 8.2512 108.8873 43.4570 0.0000 175.7080 30 V 3.5426 8.3363 113.1372 62.9205 31.6357 175.9135 31 G 3.9624 7.4892 103.9421 43.4335 0.0000 172.6404 32 K 4.7044 8.0553 119.2494 55.0147 34.2794 176.4086 33 K 4.5526 8.6061 119.1844 55.3332 36.6146 175.9502 34 T 4.5289 8.6245 122.2616 63.8188 68.0848 174.4974 35 T 4.0632 9.3905 122.7366 62.4915 68.3620 174.6266 36 G 4.7104 7.4783 115.5141 46.8313 0.0000 172.0872 37 I 4.9041 8.2642 127.1115 60.6962 38.8892 175.2133 38 S 4.6425 8.5526 117.7095 56.9917 66.2501 172.7070 39 K 4.9592 8.4712 125.8091 55.7563 33.3921 175.6149 40 R 4.6070 8.5470 120.6402 55.5563 33.0268 173.5959 41 R 4.9395 8.3334 118.6333 54.5002 33.2063 175.2741 42 Q 4.3391 9.0883 121.8835 54.4354 30.9014 174.2421 43 Y 5.0897 8.1912 122.0084 55.8343 39.7194 174.0427 44 P 4.3152 0.0000 0.0000 62.5106 31.9470 176.8242 45 N 4.7943 8.8045 122.8055 53.6793 37.4424 172.7955 46 L 5.0689 8.1472 123.3300 53.9555 43.7032 176.0073 47 Q 4.6024 8.3436 118.1191 54.9447 33.5410 172.9681 48 K 4.6518 8.6940 118.9157 55.5984 33.8825 176.4670 49 V 4.3785 8.6103 124.9706 61.2482 33.8912 173.9131 50 R 5.0945 8.7042 129.1074 54.6300 31.5695 175.8096 51 V 4.0631 8.2718 125.2277 61.1297 33.7820 173.9719 52 R 3.3385 9.1929 117.9222 55.6410 29.3481 172.7019 53 V 3.1483 8.6152 122.0360 62.3539 35.0042 171.6756 54 A 3.7050 9.0706 129.6661 53.2739 17.4349 178.3951 55 G 3.9944 9.1239 107.3709 47.1097 0.0000 173.5053 56 Q 4.2938 7.7673 117.9557 55.5036 30.5377 174.7616 57 E 4.0322 8.8127 117.0269 58.1789 30.4500 175.8131 58 I 2.8500 7.5523 119.1912 61.9251 36.5602 172.4376 59 T 4.8514 7.9941 116.1499 60.1908 71.8040 173.6005 60 F 4.9712 9.0080 119.3284 56.0692 43.5484 174.8580 61 R 4.8692 10.3047 124.1485 54.5060 30.0321 174.4116 62 V 4.8232 8.3603 120.4250 59.0740 35.1165 175.0850 63 A 4.2184 8.9853 125.0933 52.6114 19.0242 177.7631 64 A 3.9498 9.9049 126.9819 55.8236 18.4723 180.0944 65 S 4.0594 8.0211 107.8811 62.4768 63.1960 175.1997 66 H 4.5201 8.4499 116.8117 55.2857 28.7829 177.2206 67 I 3.7554 8.5543 124.0407 64.3103 36.9327 176.4117 68 P 4.2730 0.0000 0.0000 65.5885 31.0693 178.0905 69 K 3.8838 8.0909 119.4540 59.2339 31.9381 178.8801 70 V 3.2876 7.8724 118.9740 65.8060 31.1197 176.8638 71 Y 4.0298 7.9107 112.9441 58.4191 37.6972 176.5258 72 E 4.4018 7.7054 120.8881 58.6097 30.2989 178.2348 73 L 3.9512 7.7466 116.9268 57.9185 41.7638 179.3394 74 V 3.6667 7.3719 117.0825 65.7619 31.5765 177.5851 75 E 4.1012 7.9272 118.8213 58.8980 29.7653 178.8470 76 R 4.6556 8.4864 114.6175 57.1626 31.1148 176.7836 77 A 4.6078 7.8202 122.6253 53.9014 21.4174 178.8658 78 K 4.1604 7.9959 112.4226 57.1437 31.5147 177.8033 79 G 3.9325 7.9059 107.6711 45.3462 0.0000 173.6622 80 L 4.4895 7.5726 119.7042 53.4048 44.2263 176.8098 81 K 4.2620 8.0551 120.3584 55.4419 30.5092 177.0314 82 L 4.2308 7.4478 119.0522 54.6061 41.7735 176.0325 83 E 4.3426 8.0894 125.5257 55.8817 32.0373 169.8773 84 G 3.9728 8.8487 114.1824 44.9507 0.0000 175.3539 85 L 4.2448 8.4815 129.7665 55.1445 41.4330 177.9847 86 S 4.7629 7.5513 112.3325 55.8050 62.7982 173.1715 87 P 3.6196 0.0000 0.0000 66.3989 31.0986 178.2706 88 K 3.8478 7.8925 119.3169 59.6358 32.2253 178.3888 89 E 4.0613 8.0625 118.2720 59.2825 29.4471 179.2105 90 I 3.9677 8.6056 121.0885 64.4574 37.0088 177.8460 91 K 3.7808 7.5978 118.3604 59.8500 32.0170 178.0311 92 K 3.8477 8.3251 118.7565 59.8224 32.1869 177.2946 93 E 4.0580 9.0260 120.4934 59.2866 30.5044 179.9249 94 L 4.3023 7.7662 118.9283 55.3703 39.5642 176.9217 95 L 3.4727 7.7593 116.2494 56.5619 40.5149 176.1778 *96 K 4.1215 7.8891 124.3266 54.7901 32.3453 180.2672 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 3 K 8.30 4.21 0.00 1.66 1.80 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.49 7.81 4 V 7.99 4.20 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 0.74 0.00 0.00 1.00 0.00 0.00 5 C 9.47 4.42 0.00 2.99 3.03 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 0.00 0.00 0.00 6 E 9.28 4.05 0.00 2.14 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 2.36 2.51 0.00 7 I 7.39 3.99 1.90 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 1.51 0.71 0.96 0.00 0.00 8 S 7.79 4.13 0.00 3.84 3.56 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 0.00 9 G 8.27 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 10 K 7.61 3.79 0.00 1.71 1.74 0.00 1.54 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.39 7.81 11 R 8.21 5.01 0.00 1.93 2.01 0.00 3.13 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 12 P 0.00 4.76 0.00 2.34 2.68 0.00 3.77 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 13 I 8.80 4.59 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.88 1.00 0.00 0.00 14 V 8.25 4.65 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 0.78 0.00 0.00 0.91 0.00 0.00 15 A 9.00 4.85 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 16 N 8.57 5.20 0.00 2.59 2.73 0.00 0.00 6.61 7.57 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 17 S 9.31 4.56 0.00 3.80 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 18 I 8.35 4.32 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.59 0.90 0.00 0.00 19 Q 8.75 4.44 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 20 R 8.57 5.18 0.00 1.65 1.80 0.00 3.14 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 21 R 8.93 4.62 0.00 1.68 1.75 0.00 3.25 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 22 G 9.07 4.18 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 0.00 23 K 8.23 4.32 0.00 1.79 1.67 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.52 7.81 24 A 8.44 4.12 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 25 K 9.00 4.72 0.00 1.87 1.82 0.00 1.66 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.42 7.81 26 R 8.05 4.14 0.00 2.00 2.06 0.00 3.06 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 27 E 8.04 4.55 0.00 2.10 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 0.00 2.22 2.34 0.00 28 G 8.57 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 0.00 0.00 0.00 29 G 8.25 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 0.00 0.00 0.00 0.00 30 V 8.34 3.54 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 0.71 0.00 0.00 0.93 0.00 0.00 31 G 7.49 3.96 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 0.00 32 K 8.06 4.70 0.00 1.74 1.74 0.00 1.75 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.38 7.81 33 K 8.61 4.55 0.00 1.62 1.65 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.56 7.81 34 T 8.62 4.53 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 1.23 0.00 0.00 35 T 9.39 4.06 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 1.23 0.00 0.00 36 G 7.48 4.71 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 0.00 0.00 0.00 37 I 8.26 4.90 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 1.22 0.61 0.90 0.00 0.00 38 S 8.55 4.64 0.00 3.88 3.62 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 39 K 8.47 4.96 0.00 1.77 1.66 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.47 7.81 40 R 8.55 4.61 0.00 1.86 1.91 0.00 2.76 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.71 0.00 41 R 8.33 4.94 0.00 1.19 1.65 0.00 3.20 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 42 Q 9.09 4.34 0.00 1.86 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 43 Y 8.19 5.09 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.32 0.00 2.08 2.03 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.10 0.00 45 N 8.80 4.79 0.00 2.84 2.76 0.00 0.00 6.79 6.66 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 46 L 8.15 5.07 0.00 1.77 1.64 0.93 0.57 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 47 Q 8.34 4.60 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 48 K 8.69 4.65 0.00 1.64 1.78 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.50 7.81 49 V 8.61 4.38 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 1.03 0.00 0.00 1.04 0.00 0.00 50 R 8.70 5.09 0.00 1.90 1.84 0.00 3.29 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 51 V 8.27 4.06 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 0.66 0.00 0.00 0.74 0.00 0.00 52 R 9.19 3.34 0.00 1.92 1.95 0.00 2.84 0.00 0.00 3.81 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 53 V 8.62 3.15 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 0.76 0.00 0.00 0.91 0.00 0.00 54 A 9.07 3.70 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 55 G 9.12 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 0.00 0.00 0.00 56 Q 7.77 4.29 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.66 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 57 E 8.81 4.03 0.00 1.90 1.92 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 2.20 2.27 0.00 58 I 7.55 2.85 1.81 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.76 0.97 0.00 0.00 59 T 7.99 4.85 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 60 F 9.01 4.97 0.00 2.91 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 61 R 10.30 4.87 0.00 1.70 1.89 0.00 3.04 0.00 0.00 3.21 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 62 V 8.36 4.82 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 0.88 0.00 0.00 0.98 0.00 0.00 63 A 8.99 4.22 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 64 A 9.90 3.95 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 65 S 8.02 4.06 0.00 4.05 4.07 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 66 H 8.45 4.52 0.00 3.23 3.38 0.00 5.84 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.55 3.76 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.88 0.97 0.00 0.00 68 P 0.00 4.27 0.00 2.23 2.25 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 69 K 8.09 3.88 0.00 1.93 1.94 0.00 1.65 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.49 7.81 70 V 7.87 3.29 2.15 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 0.22 0.00 0.00 0.41 0.00 0.00 71 Y 7.91 4.03 0.00 3.05 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 72 E 7.71 4.40 0.00 2.19 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 0.00 2.26 2.32 0.00 73 L 7.75 3.95 0.00 1.62 1.72 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.37 3.67 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 0.72 0.00 0.00 0.67 0.00 0.00 75 E 7.93 4.10 0.00 2.30 2.05 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 2.39 2.43 0.00 76 R 8.49 4.66 0.00 1.96 2.00 0.00 3.06 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.63 0.00 77 A 7.82 4.61 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 78 K 8.00 4.16 0.00 1.73 1.85 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.54 7.81 79 G 7.91 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 0.00 0.00 0.00 80 L 7.57 4.49 0.00 1.64 1.64 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.06 4.26 0.00 1.70 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.44 7.81 82 L 7.45 4.23 0.00 1.68 1.64 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.09 4.34 0.00 1.84 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 2.19 2.36 0.00 84 G 8.85 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 85 L 8.48 4.24 0.00 1.61 1.65 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 86 S 7.55 4.76 0.00 4.12 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 87 P 0.00 3.62 0.00 2.24 2.36 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 88 K 7.89 3.85 0.00 1.78 1.80 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.44 7.81 89 E 8.06 4.06 0.00 2.15 1.98 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 2.39 2.39 0.00 90 I 8.61 3.97 1.86 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 1.62 1.18 0.92 0.00 0.00 91 K 7.60 3.78 0.00 1.68 1.93 0.00 1.40 0.00 0.00 1.38 0.00 0.00 2.69 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.06 7.81 92 K 8.33 3.85 0.00 1.69 2.00 0.00 1.78 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.54 7.81 93 E 9.03 4.06 0.00 2.20 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 2.54 0.00 94 L 7.77 4.30 0.00 1.94 1.75 1.13 0.88 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 95 L 7.76 3.47 0.00 1.76 1.76 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 *96 K 7.89 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.