NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2620 8.4445 119.1135 53.9072 29.6973 175.7657 4 L 3.8160 7.7199 119.6701 54.4367 41.4222 178.1711 5 T 4.2959 8.2126 116.8536 60.6061 70.3504 175.1115 6 E 3.9736 8.5930 122.1896 59.6647 29.0583 178.5153 7 E 3.8999 8.2961 120.6419 58.9401 29.3838 178.4556 8 Q 4.1116 7.5957 116.6000 58.4565 29.1341 177.8979 9 I 4.2986 8.6984 121.7944 63.9453 37.7195 177.4251 10 A 4.0705 8.1418 121.1369 55.6392 18.0384 179.1435 11 E 3.8626 7.8774 115.6318 59.6789 29.3038 179.4161 12 F 4.6879 7.8823 116.2464 59.2618 39.1043 176.2737 13 K 4.4484 7.8305 116.5278 58.1756 33.9854 177.5675 14 E 3.9963 8.7264 118.8509 59.7342 29.4496 179.7679 15 A 4.0196 8.6552 120.5443 55.3052 18.3534 179.3112 16 F 3.7304 7.5445 118.0381 61.4326 39.4109 177.4093 17 S 4.1358 8.9228 114.9715 61.5660 62.6847 176.1514 18 L 3.4219 7.4813 121.3023 57.4967 41.6479 177.5864 19 F 4.4548 7.6158 114.9955 57.0649 39.1911 175.7139 20 D 4.3782 8.4174 124.2071 51.8377 38.9476 175.8385 21 K 3.6225 7.7263 124.5172 59.5948 33.3158 177.5560 22 D 4.5536 8.2615 118.0766 59.1417 37.8267 178.9832 23 G 3.9818 6.8623 104.7152 47.6194 0.0000 174.7058 24 D 4.3426 10.2299 119.3461 53.3454 38.6531 176.0866 25 G 4.0867 7.2642 109.1370 44.4621 0.0000 172.7117 26 T 4.9561 8.1655 109.1332 59.3152 71.6178 173.1311 27 I 4.6746 8.1539 116.1665 58.7916 40.3847 176.5474 28 T 4.3299 9.2274 113.6861 61.8769 70.9888 174.8977 29 T 3.9276 8.2814 116.1488 67.1279 68.9082 176.9756 30 K 3.8902 8.0435 119.7467 59.7463 31.8357 179.0542 31 E 3.9908 8.5102 118.2749 59.0933 29.5202 178.9471 32 L 4.1017 7.7815 120.4250 58.2936 42.0621 179.0919 33 G 3.9560 8.0258 104.6176 48.5494 0.0000 175.2036 34 T 4.1368 7.7911 117.2468 65.6716 68.4501 177.1039 35 V 2.7824 7.5116 116.8020 64.3489 31.0596 177.4589 *37 R 5.0883 8.0780 115.9404 56.5508 31.9328 177.5776 38 S 3.8464 7.8127 111.4438 61.6251 62.6530 175.6707 39 L 4.0052 7.3919 117.7708 55.3355 41.1919 177.5625 40 G 3.8468 9.1574 108.3190 45.7639 0.0000 173.0985 41 Q 4.7594 7.2181 119.4024 55.0081 31.8518 173.9795 42 N 4.6481 7.9961 110.1605 52.2055 37.5216 172.4106 43 P 4.4696 0.0000 0.0000 62.9044 32.5728 176.7316 44 T 4.2968 8.2229 109.3579 60.9191 69.9287 175.7320 45 E 3.8296 8.7558 122.7806 59.5727 29.6802 178.6361 46 A 4.3561 7.8907 120.0872 53.8084 19.6953 178.4641 47 E 4.0936 8.2954 115.6211 58.4148 29.6651 178.1866 48 L 4.1317 7.8226 119.5819 57.9967 42.0600 178.3622 49 Q 4.2272 7.9936 118.3748 58.5937 27.8318 177.7427 50 D 4.2660 7.7445 120.2282 55.8826 42.0873 178.8972 *52 I 4.0284 7.9689 120.4336 61.1444 39.4903 176.9202 53 N 4.1063 9.0852 118.0100 56.8165 38.7145 175.7836 54 E 4.0551 7.6443 116.8147 58.0665 29.6873 177.0525 55 V 4.3607 8.3454 112.6806 59.7847 33.5708 175.9228 56 D 4.9826 8.5009 127.1383 53.7765 41.3058 176.5932 57 A 4.7939 7.9365 116.3462 52.3822 19.5865 177.4857 58 D 4.7667 8.1968 116.4262 55.1701 42.0248 174.7465 59 G 3.7813 8.5194 110.3548 45.8374 0.0000 172.8478 60 N 5.3823 8.0009 124.1420 52.1024 37.5768 173.4140 61 G 3.1344 7.6437 116.6182 44.6754 0.0000 171.4526 62 T 4.5195 7.7395 111.3100 61.7162 70.4249 172.2537 63 I 4.6510 8.3273 122.5185 59.5382 40.6246 175.3779 64 D 5.2180 8.1144 122.7129 52.5031 42.6418 176.2713 65 F 3.1755 9.4779 115.6476 60.5827 38.9621 175.6073 66 P 4.1727 0.0000 0.0000 66.0911 31.1213 178.7554 67 E 3.5553 10.2271 115.8934 59.0814 29.3519 179.0538 68 F 4.4683 7.2540 119.4624 60.4221 39.9201 176.7610 69 L 3.6891 8.1253 119.1473 57.5731 42.4612 177.7402 70 T 3.7859 8.0357 117.0966 62.8773 66.1254 174.1553 *73 A 4.1586 7.5708 127.1157 51.2324 20.9480 179.8643 74 R 3.6841 6.6080 114.1675 58.1524 31.4279 178.8404 75 K 4.3774 7.6887 117.9650 56.3875 32.7982 176.5031 *77 K 4.5015 7.8640 114.5628 55.2743 33.3860 174.7621 78 D 4.8039 8.0109 116.5518 55.5182 47.3800 175.0761 79 T 3.9999 7.0160 111.0727 62.8061 67.8983 174.1920 80 D 4.6829 8.4120 124.2804 54.4346 44.2387 177.3679 81 S 4.3020 8.3108 118.1755 61.3745 62.6363 175.6292 82 E 3.9373 8.3034 121.8147 59.0564 29.3949 178.3822 83 E 4.1480 8.0668 118.8194 59.0931 29.8220 177.9178 84 E 3.9863 8.2472 118.0666 59.9487 29.6364 179.2731 85 I 3.4734 7.8252 119.3500 64.7553 37.2393 178.2020 86 R 4.3903 8.2611 119.0234 58.7778 29.6848 178.0027 87 E 4.2076 8.1208 116.9749 58.4063 30.1703 177.9522 88 A 4.3452 9.0627 122.2519 55.3281 18.5250 179.0247 89 F 3.2006 8.5010 118.8513 61.6863 39.1784 177.6473 90 R 3.9096 7.9349 115.5545 58.8614 29.8283 179.1547 91 V 3.6648 7.5443 117.6602 66.1350 31.7311 177.9281 92 F 4.1653 8.2184 115.2140 59.0968 39.8080 176.2559 93 D 4.6148 7.5787 119.6249 52.5752 38.2462 176.4343 94 K 4.0614 8.2409 121.7015 58.1979 32.6263 177.7488 95 D 4.5988 7.8010 116.5630 52.7668 40.0122 177.2792 96 G 3.9145 8.3788 108.4098 45.9615 0.0000 174.1252 97 N 4.5415 8.2907 115.9118 53.0020 37.9386 176.1885 98 G 3.9670 9.0068 107.6585 45.5606 0.0000 172.6314 99 Y 5.1656 7.5925 115.1845 56.1224 42.2329 174.9130 100 I 4.7064 8.9426 123.1354 59.8273 39.4412 175.1507 101 S 4.8367 9.2508 122.6110 56.8265 64.9434 175.3302 102 A 4.0938 8.8703 122.9654 55.3582 17.9403 180.0669 103 A 3.9613 8.0027 119.0478 55.4394 18.6187 179.4125 104 E 4.1484 7.8413 114.2385 58.8276 29.6328 178.4920 105 L 4.1583 8.1943 122.0473 57.8282 42.3050 177.9985 106 R 4.0602 8.1130 118.7098 60.8119 30.1895 177.1846 107 H 4.2061 8.4263 117.8811 58.3920 29.4480 176.8622 108 V 3.3401 8.0962 122.2254 62.7706 31.6379 178.4491 *110 T 4.6102 7.8260 108.2276 61.6387 70.7612 175.5751 111 N 4.2790 7.6906 118.6445 56.1011 38.5514 175.8300 112 L 4.1638 7.4203 114.4620 55.0951 41.6564 176.9760 113 G 3.7522 9.3094 107.6281 46.3479 0.0000 173.2805 114 E 4.4561 8.0139 119.7868 53.5782 31.6446 174.7670 115 K 4.2308 8.7114 126.4291 56.0546 31.7157 176.1111 116 L 4.7157 8.1296 123.9734 52.7349 44.2075 176.4912 117 T 4.1073 8.3847 117.3968 61.5792 67.8242 174.8553 118 D 4.4174 8.8929 128.4917 57.6541 41.7295 178.5608 119 E 3.9439 8.2618 118.8457 59.5763 29.6492 179.0196 120 E 4.0520 8.1093 112.9017 57.3834 29.1270 177.3138 121 V 4.2159 7.8960 118.2004 64.7142 33.2167 177.6561 122 D 4.4224 7.5951 119.1067 57.2458 41.0959 178.1419 123 Q 4.3449 7.9597 118.9520 56.8598 28.8579 177.1506 *125 I 4.1170 7.7639 118.9299 61.3336 39.3739 177.8678 126 R 3.8383 7.7832 120.0789 59.4637 29.8940 178.0236 127 E 4.0686 8.0338 115.8407 57.8188 29.6439 176.7999 128 A 4.4454 7.4447 119.6118 52.8753 20.1742 176.4103 129 D 4.8293 7.8546 116.4203 53.7635 41.8362 175.6690 130 I 4.2652 8.9410 127.7416 62.6055 38.5793 176.5458 131 D 4.4648 8.3984 117.0825 53.5838 39.9184 177.1466 132 G 3.8977 8.4828 107.9839 46.1107 0.0000 172.9987 133 D 4.6440 8.2710 117.6542 52.8494 39.5173 178.6813 134 G 4.0413 8.9431 111.0933 45.9585 0.0000 173.7802 135 Q 4.7966 7.5859 115.9026 54.4972 31.7595 175.2878 136 V 4.8889 8.3839 112.2755 59.6823 34.5959 175.8114 137 N 5.1204 9.5863 123.4887 51.5225 39.8202 175.4042 138 Y 2.9118 8.1582 119.1531 60.9606 38.4230 177.6614 139 E 3.7167 8.0206 118.3158 59.5631 29.3429 178.7827 140 E 3.9309 9.9811 118.3869 59.6513 29.7404 179.2441 141 F 4.2347 8.3799 119.6263 61.5023 39.6090 176.8152 142 V 3.5587 8.0412 117.0472 65.6748 32.6463 177.6120 143 Q 4.1761 7.7661 118.6514 55.7422 24.0267 176.4216 *146 T 4.0475 7.4810 112.5783 61.3130 71.1543 175.3959 147 A 3.8117 7.7289 124.7866 52.1126 18.6284 177.2799 148 K 4.1205 8.5754 122.8969 56.5220 32.3268 175.7935 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 Q 8.44 4.26 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 4 L 7.72 3.82 0.00 1.73 1.53 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.21 4.30 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 1.26 0.00 0.00 6 E 8.59 3.97 0.00 2.25 2.21 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 2.38 2.39 0.00 7 E 8.30 3.90 0.00 2.07 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 0.00 2.39 2.40 0.00 8 Q 7.60 4.11 0.00 2.19 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.64 0.00 0.00 0.00 0.00 0.00 2.63 2.68 0.00 9 I 8.70 4.30 2.10 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 1.86 1.41 1.00 0.00 0.00 10 A 8.14 4.07 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 11 E 7.88 3.86 0.00 1.73 1.76 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 2.25 2.46 0.00 12 F 7.88 4.69 0.00 3.34 3.42 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 13 K 7.83 4.45 0.00 2.09 1.98 0.00 1.82 0.00 0.00 1.96 0.00 0.00 3.19 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.58 1.82 7.81 14 E 8.73 4.00 0.00 2.22 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 2.41 2.56 0.00 15 A 8.66 4.02 1.33 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 0.00 0.00 16 F 7.54 3.73 0.00 2.83 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 17 S 8.92 4.14 0.00 4.01 3.95 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 18 L 7.48 3.42 0.00 2.08 2.19 1.01 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.62 4.45 0.00 2.93 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 20 D 8.42 4.38 0.00 2.31 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.73 3.62 0.00 1.82 1.66 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.48 7.81 22 D 8.26 4.55 0.00 2.84 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 23 G 6.86 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 24 D 10.23 4.34 0.00 2.82 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.26 4.09 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 0.00 0.00 0.00 26 T 8.17 4.96 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 1.25 0.00 0.00 27 I 8.15 4.67 1.68 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.95 -0.05 0.00 0.00 28 T 9.23 4.33 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 1.24 0.00 0.00 29 T 8.28 3.93 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 30 K 8.04 3.89 0.00 1.83 1.87 0.00 1.55 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.60 7.81 31 E 8.51 3.99 0.00 1.91 1.90 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 2.45 2.28 0.00 32 L 7.78 4.10 0.00 1.86 1.86 1.10 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.03 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 34 T 7.79 4.14 4.41 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 1.33 0.00 0.00 35 V 7.51 2.78 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 0.88 0.00 0.00 0.69 0.00 0.00 *37 R 8.08 5.09 0.00 1.99 1.95 0.00 3.48 0.00 0.00 3.34 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 38 S 7.81 3.85 0.00 3.84 3.68 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 0.00 0.00 0.00 0.00 39 L 7.39 4.01 0.00 1.61 1.74 0.79 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 40 G 9.16 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 41 Q 7.22 4.76 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 42 N 8.00 4.65 0.00 2.76 2.78 0.00 0.00 5.93 7.75 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 43 P 0.00 4.47 0.00 2.21 2.12 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 44 T 8.22 4.30 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 1.24 0.00 0.00 45 E 8.76 3.83 0.00 1.98 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 0.00 2.33 2.36 0.00 46 A 7.89 4.36 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 47 E 8.30 4.09 0.00 1.95 2.21 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 2.33 2.31 0.00 48 L 7.82 4.13 0.00 1.87 1.80 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.99 4.23 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 50 D 7.74 4.27 0.00 2.78 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.97 4.03 1.92 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 1.33 1.41 1.01 0.00 0.00 53 N 9.09 4.11 0.00 2.51 2.98 0.00 0.00 7.36 7.53 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 54 E 7.64 4.06 0.00 2.30 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 0.00 2.34 2.32 0.00 55 V 8.35 4.36 2.45 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 0.76 0.00 0.00 1.07 0.00 0.00 56 D 8.50 4.98 0.00 2.70 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 57 A 7.94 4.79 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 58 D 8.20 4.77 0.00 2.84 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 59 G 8.52 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 60 N 8.00 5.38 0.00 2.71 2.85 0.00 0.00 7.32 7.65 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 61 G 7.64 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 0.00 0.00 0.00 62 T 7.74 4.52 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 63 I 8.33 4.65 1.97 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.87 0.98 0.00 0.00 64 D 8.11 5.22 0.00 3.09 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 65 F 9.48 3.18 0.00 2.95 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 66 P 0.00 4.17 0.00 2.30 2.08 0.00 4.02 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 67 E 10.23 3.56 0.00 2.24 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 2.41 2.75 0.00 68 F 7.25 4.47 0.00 2.80 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 69 L 8.13 3.69 0.00 1.66 1.72 0.69 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.04 3.79 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 1.15 0.00 0.00 *73 A 7.57 4.16 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 74 R 6.61 3.68 0.00 1.78 1.89 0.00 3.34 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 75 K 7.69 4.38 0.00 1.76 1.73 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.40 7.81 *77 K 7.86 4.50 0.00 1.72 1.79 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.48 7.81 78 D 8.01 4.80 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.02 4.00 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 1.34 0.00 0.00 80 D 8.41 4.68 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.31 4.30 0.00 4.07 4.15 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 0.00 0.00 0.00 0.00 82 E 8.30 3.94 0.00 2.02 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 2.38 2.50 0.00 83 E 8.07 4.15 0.00 2.24 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 2.31 2.41 0.00 84 E 8.25 3.99 0.00 2.29 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 0.00 2.45 2.53 0.00 85 I 7.83 3.47 2.01 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 1.46 0.97 1.11 0.00 0.00 86 R 8.26 4.39 0.00 1.97 2.18 0.00 2.94 0.00 0.00 2.86 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 87 E 8.12 4.21 0.00 2.18 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 2.32 2.68 0.00 88 A 9.06 4.35 1.69 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 0.00 0.00 89 F 8.50 3.20 0.00 2.84 3.27 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 90 R 7.93 3.91 0.00 1.89 2.01 0.00 3.23 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.92 0.00 91 V 7.54 3.66 2.39 0.00 0.00 0.00 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 0.98 0.00 0.00 92 F 8.22 4.17 0.00 2.68 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 93 D 7.58 4.61 0.00 2.14 2.18 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 94 K 8.24 4.06 0.00 1.99 1.86 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.57 7.81 95 D 7.80 4.60 0.00 2.94 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 96 G 8.38 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.29 4.54 0.00 3.07 3.11 0.00 0.00 6.29 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 G 9.01 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 99 Y 7.59 5.17 0.00 3.03 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 0.00 100 I 8.94 4.71 2.04 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.85 0.97 0.00 0.00 101 S 9.25 4.84 0.00 3.91 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 0.00 102 A 8.87 4.09 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 0.00 103 A 8.00 3.96 1.33 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 0.00 0.00 104 E 7.84 4.15 0.00 2.37 2.23 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 2.42 2.40 0.00 105 L 8.19 4.16 0.00 1.72 1.94 1.13 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.11 4.06 0.00 1.93 2.28 0.00 3.34 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 107 H 8.43 4.21 0.00 3.41 3.35 0.00 5.86 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.10 3.34 1.67 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 0.30 0.00 0.00 0.75 0.00 0.00 *110 T 7.83 4.61 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 1.32 0.00 0.00 111 N 7.69 4.28 0.00 2.58 2.86 0.00 0.00 7.09 7.75 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 0.00 112 L 7.42 4.16 0.00 1.65 1.69 0.84 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 113 G 9.31 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 0.00 114 E 8.01 4.46 0.00 2.02 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 2.28 2.36 0.00 115 K 8.71 4.23 0.00 1.79 1.78 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.41 7.81 116 L 8.13 4.72 0.00 1.63 1.58 0.97 0.95 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 0.00 117 T 8.38 4.11 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 1.26 0.00 0.00 118 D 8.89 4.42 0.00 2.75 2.69 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 0.00 119 E 8.26 3.94 0.00 2.07 1.97 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 2.33 2.43 0.00 120 E 8.11 4.05 0.00 2.01 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 2.35 2.26 0.00 121 V 7.90 4.22 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 1.08 0.00 0.00 0.97 0.00 0.00 122 D 7.60 4.42 0.00 2.91 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 7.96 4.34 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.39 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 *125 I 7.76 4.12 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.97 0.00 0.00 126 R 7.78 3.84 0.00 2.06 2.04 0.00 3.10 0.00 0.00 3.10 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 127 E 8.03 4.07 0.00 2.00 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 2.31 2.25 0.00 128 A 7.44 4.45 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 0.00 129 D 7.85 4.83 0.00 2.85 2.71 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 0.00 130 I 8.94 4.27 1.88 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 1.35 0.91 0.91 0.00 0.00 131 D 8.40 4.46 0.00 2.80 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 0.00 132 G 8.48 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 0.00 133 D 8.27 4.64 0.00 2.79 2.88 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 0.00 0.00 0.00 0.00 134 G 8.94 4.04 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 0.00 0.00 0.00 0.00 135 Q 7.59 4.80 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.52 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 136 V 8.38 4.89 2.30 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 0.86 0.00 0.00 1.15 0.00 0.00 137 N 9.59 5.12 0.00 2.64 3.02 0.00 0.00 6.20 7.12 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 0.00 138 Y 8.16 2.91 0.00 2.10 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 0.00 139 E 8.02 3.72 0.00 2.21 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 0.00 2.37 2.39 0.00 140 E 9.98 3.93 0.00 2.16 2.31 0.00 0.00 0.00 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 2.53 0.00 141 F 8.38 4.23 0.00 3.14 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 0.00 142 V 8.04 3.56 1.83 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 0.73 0.00 0.00 -0.11 0.00 0.00 143 Q 7.77 4.18 0.00 2.32 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.17 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 *146 T 7.48 4.05 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 1.18 0.00 0.00 147 A 7.73 3.81 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 0.00 148 K 8.58 4.12 0.00 1.69 1.65 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.