NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4888 8.2931 118.1921 55.2957 33.3600 175.1155 2 G 3.8499 8.0587 111.0733 44.6275 0.0000 172.2393 3 K 3.8373 9.0237 123.5708 57.0342 34.0179 178.9551 4 G 2.8389 7.9306 105.4224 48.2478 0.0000 177.7387 5 T 4.0351 7.8478 121.2313 66.2204 68.3617 177.1286 6 G 3.7826 7.9974 106.6920 47.3476 0.0000 175.5171 7 S 4.2478 7.6609 116.5148 60.6009 62.8390 176.3645 8 F 4.4804 7.9495 120.7890 60.6895 38.7139 177.5704 9 G 3.7750 7.4872 101.3442 48.1364 0.0000 174.7350 10 K 3.7754 8.2384 121.9625 55.8903 32.0526 176.5825 11 R 3.6599 8.1316 114.1241 58.1150 29.8588 178.0565 12 R 4.3235 7.8476 114.9281 56.7289 29.9281 175.4080 13 N 5.1205 7.5744 114.8444 51.4492 41.8919 173.3862 14 K 4.6941 8.3751 120.0789 54.7515 34.9070 174.5323 15 T 4.9533 7.4226 108.7814 62.3504 70.9274 172.7431 16 H 4.9485 7.9611 126.6021 55.2875 29.5992 174.0822 17 T 4.7973 8.6975 113.6650 58.8847 72.7172 172.8686 18 L 4.4236 8.5452 123.4511 55.7609 42.5821 176.0980 19 C 4.1064 8.7229 126.3478 59.1219 32.5660 174.6880 20 V 3.3566 7.6951 124.5505 65.8288 31.5586 177.3570 21 R 3.7659 6.8958 118.3020 58.5608 29.8639 176.5149 22 C 4.5389 7.6947 109.0321 56.9917 31.3360 174.2106 23 G 3.8433 8.1505 108.1641 46.1242 0.0000 173.2211 24 R 4.5917 7.5784 117.0794 53.5840 34.4313 174.4348 25 R 4.1239 8.9004 123.6167 57.9237 29.8775 175.4043 26 S 4.6966 8.3995 121.6674 58.2345 68.4262 175.4671 27 F 4.9415 8.5358 125.3032 57.9289 40.4115 174.4228 28 H 4.6558 9.5259 128.4894 54.8116 28.7051 175.5421 29 L 3.2531 8.8111 129.5276 57.8983 42.4400 178.9795 30 Q 4.5153 7.8478 114.5865 56.3329 28.3975 176.7895 31 K 4.2245 7.7480 113.3037 56.5948 35.1390 177.0579 32 S 3.6296 7.6471 112.6163 58.7454 60.7990 171.4466 33 T 5.0320 6.7623 112.6116 60.6752 72.0461 172.7900 34 C 5.3176 9.0001 124.1796 58.1280 33.4509 174.1865 35 S 4.8326 8.2579 122.1360 57.3610 62.7228 174.6580 36 S 4.7160 7.8825 111.0930 60.0514 66.9167 173.3808 37 C 4.5526 8.3294 110.9282 57.7027 34.3304 169.8309 38 G 4.1358 8.4739 116.7429 45.4054 0.0000 172.5182 39 Y 4.4258 8.3753 119.8173 56.2539 41.3886 170.9497 40 P 3.9209 0.0000 0.0000 62.1483 32.0026 175.6337 41 A 4.9055 7.9484 130.6605 52.1078 21.0147 176.6146 42 A 4.1196 8.7751 127.0717 54.5811 18.8072 177.8540 43 R 4.6413 7.5094 110.0622 53.9966 31.7739 175.5191 44 I 3.9998 7.9987 120.2412 60.6485 38.8981 175.1917 45 R 3.7318 8.5339 130.1158 56.8715 30.3731 175.7884 46 K 4.3760 8.0590 125.3619 54.5916 35.2283 175.4687 47 Y 4.7096 7.9368 121.5415 56.2798 40.8973 175.9043 48 N 5.2848 8.4940 122.2940 51.7592 39.0934 174.8849 49 W 5.1422 7.0682 110.8749 56.4122 31.8893 175.4716 50 S 4.6939 6.2890 115.5414 57.6181 62.3253 175.2963 51 V 4.5178 7.5881 130.4931 59.9114 30.7607 177.9434 52 K 3.8219 9.0018 127.5387 61.3263 31.5444 178.0218 53 A 4.0401 7.8701 122.0284 54.4193 18.3604 179.2822 54 I 3.6010 7.6694 116.6568 63.9990 38.1320 177.8992 55 R 3.8115 7.9880 119.5929 59.5651 29.7561 178.7319 56 R 3.9294 7.3218 114.9936 59.1477 30.4158 178.8889 57 K 4.0896 7.7450 117.9998 59.8522 31.8826 179.4034 58 T 4.0473 7.4390 114.2448 66.0564 68.4439 176.8878 59 T 3.9833 7.5606 117.3793 64.1660 68.6759 175.6747 60 G 3.9357 8.2213 107.4316 45.5950 0.0000 172.4235 61 T 4.1686 7.9570 110.7824 62.2603 70.5847 173.2904 62 G 3.9811 8.1304 108.6992 45.6258 0.0000 173.8580 63 R 3.9847 7.8229 116.2749 56.3391 28.9197 175.4200 64 M 4.1125 7.7896 117.6397 53.7156 32.9085 177.5342 65 R 4.3741 8.1149 121.2419 57.8420 31.0317 178.2419 66 Y 4.1811 7.9173 117.5201 60.8309 38.5623 177.7410 67 M 3.9362 7.9755 118.0646 58.4048 32.5022 178.2186 68 R 3.9542 7.9580 117.6510 59.6632 30.1914 178.1907 69 H 4.0056 8.0342 117.6619 59.2876 29.8121 177.2059 70 V 3.2621 7.4769 119.9197 65.4512 31.2963 176.1028 71 P 2.0000 0.0000 0.0000 64.6674 30.8533 178.3503 72 R 3.6568 7.2298 116.0471 59.3802 30.0314 178.0039 73 R 3.9663 7.6734 117.4980 59.3195 30.0852 178.0039 74 F 4.3648 7.7937 113.2623 60.3064 37.8780 174.8408 75 K 4.6059 8.4452 119.8150 55.8848 31.7797 179.1216 76 S 4.8010 7.9470 112.8393 57.6453 61.8589 174.2415 77 N 4.5807 8.3249 127.1829 53.6720 38.3830 174.2400 78 F 4.6506 8.1921 116.5560 56.1042 42.2326 174.7695 79 R 4.5083 8.2734 122.5749 55.3938 32.5865 174.0029 80 E 4.7034 8.7800 123.8026 54.6292 33.3268 174.4795 81 G 4.0601 7.7682 109.2324 45.2097 0.0000 174.7809 82 T 4.6588 8.1810 113.8031 61.6102 69.8808 173.8405 83 E 4.0081 8.0836 120.7765 58.1860 30.0974 177.0430 84 A 4.0369 9.8521 124.3666 53.2116 15.3417 176.8904 85 T 4.5650 7.6676 117.1359 61.4781 72.9258 172.7045 *86 P 4.1581 0.0000 0.0000 63.9441 30.6717 175.8407 *87 R 4.9334 8.0821 132.8133 55.8245 31.5229 171.2252 *88 K 4.5505 7.8744 120.1933 54.3199 32.5863 179.8104 *89 R 4.4127 7.1941 128.5042 53.9033 37.4923 170.4550 90 A 4.6810 7.2177 120.1050 52.2382 21.1501 176.5369 91 A 4.6574 8.0892 118.9411 52.6993 19.7455 176.8541 92 A 4.1483 7.9509 117.4452 53.9423 21.7425 177.1778 93 A 3.8474 8.9541 128.3695 53.5074 15.3816 178.2302 *94 N 4.5615 8.1001 116.4043 52.5281 37.6903 174.9560 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 8.29 4.49 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.60 0.00 2 G 8.06 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 3 K 9.02 3.84 0.00 1.78 1.68 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.39 7.81 4 G 7.93 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 5 T 7.85 4.04 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 1.24 0.00 0.00 6 G 8.00 3.78 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 0.00 0.00 0.00 7 S 7.66 4.25 0.00 3.49 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 8 F 7.95 4.48 0.00 3.11 3.05 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 0.00 0.00 0.00 9 G 7.49 3.78 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 0.00 0.00 0.00 10 K 8.24 3.78 0.00 1.78 1.68 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.49 7.81 11 R 8.13 3.66 0.00 2.33 2.02 0.00 3.48 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 12 R 7.85 4.32 0.00 1.84 1.98 0.00 3.27 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.72 0.00 13 N 7.57 5.12 0.00 2.67 2.65 0.00 0.00 6.88 6.56 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 14 K 8.38 4.69 0.00 1.71 1.65 0.00 1.63 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.44 7.81 15 T 7.42 4.95 3.92 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 1.16 0.00 0.00 16 H 7.96 4.95 0.00 3.09 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.70 4.80 4.32 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 1.25 0.00 0.00 18 L 8.55 4.42 0.00 1.71 1.66 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 19 C 8.72 4.11 0.00 3.13 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 20 V 7.70 3.36 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 0.65 0.00 0.00 0.83 0.00 0.00 21 R 6.90 3.77 0.00 1.17 1.51 0.00 3.38 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 22 C 7.69 4.54 0.00 3.03 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 23 G 8.15 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 24 R 7.58 4.59 0.00 1.72 1.78 0.00 3.12 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 25 R 8.90 4.12 0.00 1.85 1.92 0.00 3.30 0.00 0.00 3.26 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 26 S 8.40 4.70 0.00 3.84 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.54 4.94 0.00 3.16 3.22 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 28 H 9.53 4.66 0.00 3.19 3.15 0.00 5.66 0.00 0.00 0.00 0.00 6.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.81 3.25 0.00 1.66 1.58 1.08 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.85 4.52 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.22 6.61 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 31 K 7.75 4.22 0.00 0.92 1.52 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.25 1.21 7.81 32 S 7.65 3.63 0.00 3.87 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 33 T 6.76 5.03 4.34 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 1.31 0.00 0.00 34 C 9.00 5.32 0.00 3.28 3.09 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 0.00 0.00 0.00 0.00 35 S 8.26 4.83 0.00 4.08 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.88 4.72 0.00 3.85 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.33 4.55 0.00 3.08 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 38 G 8.47 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 0.00 0.00 0.00 0.00 39 Y 8.38 4.43 0.00 2.91 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 40 P 0.00 3.92 0.00 1.99 1.83 0.00 4.10 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.73 0.00 41 A 7.95 4.91 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 42 A 8.78 4.12 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 43 R 7.51 4.64 0.00 1.89 1.91 0.00 3.02 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 44 I 8.00 4.00 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.99 0.86 0.00 0.00 45 R 8.53 3.73 0.00 1.83 1.74 0.00 3.56 0.00 0.00 3.31 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.38 0.00 46 K 8.06 4.38 0.00 1.44 1.48 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.17 1.45 7.81 47 Y 7.94 4.71 0.00 2.15 1.45 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 0.00 0.00 0.00 0.00 48 N 8.49 5.28 0.00 2.70 2.75 0.00 0.00 6.84 7.68 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 49 W 7.07 5.14 0.00 3.41 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 50 S 6.29 4.69 0.00 3.31 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.59 4.52 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 0.96 0.00 0.00 0.99 0.00 0.00 52 K 9.00 3.82 0.00 1.98 2.09 0.00 1.52 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.54 7.81 53 A 7.87 4.04 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 54 I 7.67 3.60 1.85 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 1.46 1.10 0.91 0.00 0.00 55 R 7.99 3.81 0.00 2.09 1.97 0.00 3.13 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 56 R 7.32 3.93 0.00 1.85 1.96 0.00 3.37 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 57 K 7.75 4.09 0.00 1.97 1.83 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 58 T 7.44 4.05 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 1.13 0.00 0.00 59 T 7.56 3.98 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 1.18 0.00 0.00 60 G 8.22 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 61 T 7.96 4.17 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 62 G 8.13 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 63 R 7.82 3.98 0.00 1.93 1.99 0.00 3.17 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 64 M 7.79 4.11 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 65 R 8.11 4.37 0.00 2.04 2.10 0.00 3.17 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 66 Y 7.92 4.18 0.00 3.09 3.01 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 67 M 7.98 3.94 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.71 0.00 68 R 7.96 3.95 0.00 1.77 1.93 0.00 3.21 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 69 H 8.03 4.01 0.00 3.24 3.37 0.00 5.60 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 70 V 7.48 3.26 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 0.11 0.00 0.00 71 P 0.00 2.00 0.00 1.86 1.39 0.00 3.50 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.80 0.00 72 R 7.23 3.66 0.00 1.69 2.00 0.00 3.25 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 73 R 7.67 3.97 0.00 1.71 2.03 0.00 3.29 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 74 F 7.79 4.36 0.00 2.98 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 75 K 8.45 4.61 0.00 1.90 2.26 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.54 7.81 76 S 7.95 4.80 0.00 3.94 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 77 N 8.32 4.58 0.00 2.59 2.86 0.00 0.00 5.65 7.43 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 78 F 8.19 4.65 0.00 2.98 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 79 R 8.27 4.51 0.00 1.57 1.68 0.00 3.14 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.68 0.00 80 E 8.78 4.70 0.00 1.96 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 2.23 2.22 0.00 81 G 7.77 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 0.00 0.00 0.00 82 T 8.18 4.66 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 1.21 0.00 0.00 83 E 8.08 4.01 0.00 1.98 1.91 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 2.31 2.24 0.00 84 A 9.85 4.04 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 85 T 7.67 4.56 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 1.21 0.00 0.00 *86 P 0.00 4.16 0.00 2.08 1.91 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.62 0.00 *87 R 8.08 4.93 0.00 1.82 1.84 0.00 3.20 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.97 0.00 *88 K 7.87 4.55 0.00 1.75 1.61 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 0.97 7.81 *89 R 7.19 4.41 0.00 1.76 1.64 0.00 3.29 0.00 0.00 3.23 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.11 0.00 90 A 7.22 4.68 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 91 A 8.09 4.66 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 92 A 7.95 4.15 1.20 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 93 A 8.95 3.85 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 *94 N 8.10 4.56 0.00 2.76 2.60 0.00 0.00 6.81 7.56 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 * Residues marked with a * may have inaccurate shift predictions.