NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -6 M 4.4371 8.4045 118.7915 54.5065 32.2063 173.8773 -5 D 5.0052 7.6828 119.6835 52.8666 43.3231 176.3317 -4 P 4.4190 0.0000 0.0000 65.1872 33.0067 177.6010 -3 N 4.8379 7.9366 116.2484 53.2371 35.5652 174.9177 -2 S 4.6374 7.3603 110.8636 59.0047 63.7227 173.6877 -1 L 4.4102 7.3223 115.4505 54.6378 43.6619 179.6045 -5 M 4.8452 7.6228 118.8835 54.0666 35.1231 176.3317 -4 T 4.3490 7.6672 112.6684 63.6872 70.7067 175.0010 -3 N 4.8379 7.9366 116.2484 53.2371 35.5652 174.9177 -2 R 4.5074 7.2803 115.6636 56.7047 30.8227 175.3876 -1 L 4.4102 7.3223 115.4505 54.6378 43.6619 179.6045 6 V 4.5022 8.4212 124.6681 61.0897 33.9841 174.1531 7 L 4.7926 8.7542 129.9494 53.4295 45.0550 175.4735 8 S 5.1691 8.9343 121.5494 56.7345 65.6445 173.3816 9 G 4.1202 8.4579 109.8359 46.8533 0.0000 171.1864 10 T 5.8766 8.3804 110.7972 59.1910 70.9589 174.6696 11 V 4.4665 8.4314 125.9942 61.9854 32.2936 176.0632 12 C 4.6225 9.5512 119.3808 57.9837 30.9692 173.5533 13 R 4.6409 7.8880 120.2537 54.0721 32.3460 174.4487 14 A 4.1648 8.9156 128.4433 51.3907 19.4416 174.9582 15 P 5.1443 0.0000 0.0000 63.6094 32.1146 177.1427 16 L 4.4713 8.6291 128.5164 53.7144 41.2949 172.4775 17 R 4.8381 8.3798 124.1128 55.1651 31.5648 175.8387 18 K 4.6054 8.9791 122.3309 55.6278 36.6511 174.5349 19 V 4.9019 8.2780 124.6924 61.7780 34.0545 175.5405 20 S 4.3879 9.3434 127.1297 59.0244 63.0733 171.8502 21 P 3.8371 0.0000 0.0000 64.9274 31.6993 177.1030 22 S 4.2756 7.8901 108.9925 58.9888 62.5959 174.9914 23 G 3.9267 8.7323 109.1263 45.4807 0.0000 173.6465 24 I 4.1320 7.3875 120.9627 59.9260 38.6763 172.8770 25 P 5.3179 0.0000 0.0000 61.6267 33.5144 174.0248 26 H 5.4273 9.5925 118.0010 54.1293 32.7603 171.9069 27 C 5.0993 8.9275 119.5031 58.2184 34.7342 173.2637 28 Q 4.9745 8.4549 127.5975 54.5747 31.6467 173.5825 29 F 4.9293 7.4212 115.4444 56.6686 41.8318 172.9677 30 V 4.4035 7.7626 118.8093 61.0399 33.4472 174.1695 31 L 4.7683 8.6196 131.3565 54.6105 43.6255 174.8248 32 E 4.9205 9.6995 128.3291 54.9128 31.5163 173.7798 33 H 5.1884 9.0479 127.6077 54.6150 32.5964 173.1979 34 R 5.2382 7.8496 123.9269 55.3705 33.1731 173.7023 35 S 4.6340 8.8770 118.9895 58.0337 67.0375 173.7310 36 V 4.6719 8.3644 113.6212 59.9807 33.1412 175.7977 37 Q 4.8117 9.5269 124.0326 53.9590 32.6958 174.0043 38 E 4.9071 8.7858 121.2353 55.1485 31.4172 175.2588 39 E 4.4182 9.3593 124.2141 55.5926 32.5208 174.8945 40 A 3.7888 9.3245 128.6327 53.4891 15.7439 178.0916 41 G 3.8288 8.5830 104.8690 47.4476 0.0000 173.4225 42 F 4.9575 7.8293 117.9088 55.8986 43.6837 173.1075 43 H 5.7189 9.0074 115.4676 54.6704 32.0643 173.6954 44 R 4.7836 9.2673 118.7008 55.7159 33.0202 174.8733 45 Q 4.7614 8.7514 120.7644 55.6684 29.5872 176.6498 46 A 4.6742 9.6332 124.8219 49.6581 21.2399 174.3851 47 W 5.1603 8.7003 130.7726 56.5724 33.0626 174.4140 48 C 3.5970 8.2788 125.9657 57.9022 35.1292 172.3622 49 Q 4.8054 7.7941 124.2797 54.5436 30.1122 174.5633 50 M 4.3121 8.5352 125.4404 53.0503 34.3401 173.3548 51 P 4.7858 0.0000 0.0000 62.5402 31.9413 176.2498 52 V 4.1795 7.7315 118.5695 60.0273 34.3881 175.0957 53 I 4.7839 7.6347 120.1063 59.6284 42.0166 173.6636 54 V 4.6852 8.5908 127.9435 59.9613 33.7945 174.7874 55 S 4.9465 8.6922 118.3752 57.0139 65.4572 173.7998 56 G 4.0016 8.1072 109.0225 45.3482 0.0000 173.0282 57 H 4.2554 8.2634 115.2568 58.0174 29.2032 178.6776 58 E 3.6299 7.6068 123.7575 60.1477 30.6744 178.7412 59 N 4.8363 7.9717 113.0046 52.6551 38.1447 178.6299 60 Q 4.1926 8.8249 120.6191 60.0243 28.6999 177.7759 61 A 4.0184 8.1902 121.1884 55.5873 17.8070 179.0469 62 I 3.5886 7.8894 115.6298 64.7030 37.8014 177.8203 63 T 3.8512 7.9365 113.7221 65.1997 67.0378 175.9485 64 H 4.0905 7.9273 116.8932 57.9978 28.7762 176.0949 65 S 4.4958 7.3456 114.3717 57.9575 63.1069 174.0604 66 I 4.0644 7.9569 115.9271 59.2662 36.9539 175.7687 67 T 4.1648 7.9372 122.7503 62.4502 69.0444 174.7864 68 V 3.6905 8.0215 121.7090 63.9136 32.0355 175.6592 69 G 3.8527 8.6561 111.7750 46.7499 0.0000 174.0975 70 S 4.4553 7.2741 111.8787 57.7497 64.8376 174.0843 71 R 4.9592 8.5061 121.9097 54.8169 31.6134 174.8000 72 I 4.9107 8.7594 123.9293 59.1965 42.2368 173.6854 73 T 4.9761 8.4172 119.2438 60.4825 69.7743 173.2621 74 V 4.6225 9.1690 122.4512 60.0689 35.1673 174.8855 75 Q 4.8481 8.4638 123.1072 54.6506 32.6177 174.3414 76 G 4.5318 8.2432 111.5464 46.2502 0.0000 171.7501 77 F 4.9667 7.8190 114.3905 56.4530 39.8540 174.3687 78 I 5.0767 8.3581 119.9856 59.8148 39.9801 174.7166 79 S 4.8824 8.8631 121.2621 57.8097 66.4564 173.2918 80 C 4.7143 8.1893 117.7649 59.9415 31.2290 172.0474 *81 H 4.9525 7.9815 118.5580 54.5412 29.7724 172.2171 82 K 4.6009 7.6833 122.9755 54.3787 33.5849 176.2606 83 A 4.1912 7.7299 122.7625 51.9735 19.4007 179.6280 84 K 4.3386 8.6024 118.4105 57.0315 31.6412 176.8968 85 N 4.9802 8.5941 116.4577 53.5254 39.2250 175.0784 86 G 4.0168 8.1634 106.1284 46.2301 0.0000 172.4725 87 L 4.3538 7.7542 120.1866 54.4271 43.2858 176.8042 88 S 4.2274 8.5312 123.9522 58.8290 60.8707 177.1223 89 K 4.2902 8.6151 130.1351 57.5808 36.3549 174.3749 90 M 4.6815 8.6308 122.2096 55.1143 32.4361 176.3015 91 V 4.5900 8.7763 122.2903 59.2021 35.1027 173.8966 92 L 4.6433 8.3418 126.9595 53.9167 42.4609 174.4102 93 H 4.3830 8.5087 124.2456 55.3523 29.5041 174.5277 94 A 4.6249 8.2320 126.3188 50.8884 19.3955 176.5486 95 E 4.6190 9.0389 118.8047 56.4529 32.2759 176.1834 96 Q 4.6654 7.9794 123.1842 55.2588 32.8578 174.1034 97 I 5.4152 8.5155 124.5253 58.7406 39.5638 172.1165 98 E 4.8206 8.7225 123.6581 53.6052 33.1004 175.1338 99 L 4.3628 8.6972 123.7649 55.2670 42.6545 177.5914 100 I 4.2719 8.9632 121.3583 60.2360 36.3905 175.6412 101 D 4.8711 7.7824 119.4849 52.3417 40.9804 181.4159 102 S 4.3877 8.4140 119.3553 56.9027 63.6254 174.8399 103 V 3.6238 8.6474 120.4763 65.0949 31.1414 178.6397 104 D 4.4336 8.1404 115.9971 57.0820 40.7022 178.6354 105 K 4.1332 8.3993 123.3633 59.9559 32.3374 179.3927 106 L 3.9795 7.8429 121.7064 59.5243 40.9612 180.8604 107 A 4.1802 8.1264 121.6663 54.9773 17.6321 179.3981 108 A 3.9526 7.7198 118.7091 55.4124 18.2097 178.9922 109 A 4.4123 7.5750 115.4287 52.5203 18.4807 178.0648 110 L 4.5304 7.8307 121.4699 55.7857 44.0625 177.3667 111 E 4.4660 8.0819 117.0738 57.4661 30.6624 177.5300 *112 H 4.3099 7.7241 116.8848 57.7167 28.3412 182.5346 113 H 4.4158 8.3503 117.2398 59.2859 29.7511 177.1509 *114 H 4.1708 7.7730 111.2576 57.2456 26.5366 180.1905 *115 H 4.1548 9.5511 112.0562 56.7829 27.6354 177.1463 *116 H 4.6036 8.2270 122.7389 55.6949 28.5027 176.0711 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 -6 M 8.40 4.44 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 -5 D 7.68 5.01 0.00 2.74 2.54 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 -4 P 0.00 4.42 0.00 2.14 2.10 0.00 3.55 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 2.09 2.06 0.00 -3 N 7.94 4.84 0.00 2.81 2.86 0.00 0.00 5.75 7.64 0.00 0.00 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 S 7.36 4.64 0.00 4.04 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 -1 L 7.32 4.41 0.00 1.66 1.53 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 -5 M 7.62 4.85 0.00 2.13 1.90 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.15 0.00 -4 T 7.67 4.35 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 -3 N 7.94 4.84 0.00 2.81 2.86 0.00 0.00 5.75 7.64 0.00 0.00 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 R 7.28 4.51 0.00 2.01 1.70 0.00 2.21 0.00 0.00 3.26 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 -1 L 7.32 4.41 0.00 1.66 1.53 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.42 4.50 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 0.84 0.00 0.00 0.93 0.00 0.00 7 L 8.75 4.79 0.00 1.71 1.40 0.66 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.93 5.17 0.00 3.82 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 9 G 8.46 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.38 5.88 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 1.23 0.00 0.00 11 V 8.43 4.47 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 0.77 0.00 0.00 0.91 0.00 0.00 12 C 9.55 4.62 0.00 2.99 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 13 R 7.89 4.64 0.00 1.97 1.96 0.00 3.28 0.00 0.00 3.38 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 14 A 8.92 4.16 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 15 P 0.00 5.14 0.00 2.06 2.04 0.00 3.28 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.69 0.00 16 L 8.63 4.47 0.00 1.36 1.64 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.38 4.84 0.00 1.72 1.92 0.00 3.24 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 18 K 8.98 4.61 0.00 1.78 1.61 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.40 7.81 19 V 8.28 4.90 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 0.83 0.00 0.00 0.96 0.00 0.00 20 S 9.34 4.39 0.00 3.49 3.72 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 21 P 0.00 3.84 0.00 2.08 2.22 0.00 3.67 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 2.02 2.16 0.00 22 S 7.89 4.28 0.00 3.85 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.73 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 24 I 7.39 4.13 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.02 0.79 0.00 0.00 25 P 0.00 5.32 0.00 2.12 2.17 0.00 3.44 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 26 H 9.59 5.43 0.00 3.10 3.37 0.00 5.22 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 8.93 5.10 0.00 3.00 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 28 Q 8.45 4.97 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.61 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 29 F 7.42 4.93 0.00 3.27 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 30 V 7.76 4.40 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 0.92 0.00 0.00 0.94 0.00 0.00 31 L 8.62 4.77 0.00 1.90 1.62 1.11 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 32 E 9.70 4.92 0.00 2.11 1.87 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 2.40 2.47 0.00 33 H 9.05 5.19 0.00 3.23 3.12 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.85 5.24 0.00 1.90 1.78 0.00 3.58 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.75 0.00 35 S 8.88 4.63 0.00 3.97 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.36 4.67 2.14 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 0.76 0.00 0.00 0.96 0.00 0.00 37 Q 9.53 4.81 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 38 E 8.79 4.91 0.00 1.81 1.62 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 2.18 2.26 0.00 39 E 9.36 4.42 0.00 1.95 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 2.21 2.26 0.00 40 A 9.32 3.79 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 41 G 8.58 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 42 F 7.83 4.96 0.00 3.01 2.96 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 43 H 9.01 5.72 0.00 3.02 3.24 0.00 5.91 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 9.27 4.78 0.00 1.83 2.02 0.00 2.80 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 45 Q 8.75 4.76 0.00 1.86 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.96 0.00 0.00 0.00 0.00 0.00 2.28 1.94 0.00 46 A 9.63 4.67 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 47 W 8.70 5.16 0.00 3.33 3.18 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 48 C 8.28 3.60 0.00 2.70 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 0.00 0.00 0.00 0.00 49 Q 7.79 4.81 0.00 1.81 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.16 0.00 50 M 8.54 4.31 0.00 1.99 1.78 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 51 P 0.00 4.79 0.00 2.00 1.91 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 52 V 7.73 4.18 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 -0.38 0.00 0.00 53 I 7.63 4.78 1.70 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.45 0.60 0.00 0.00 54 V 8.59 4.69 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 0.83 0.00 0.00 0.98 0.00 0.00 55 S 8.69 4.95 0.00 3.84 3.77 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 56 G 8.11 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 0.00 0.00 0.00 57 H 8.26 4.26 0.00 3.22 3.25 0.00 5.66 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.61 3.63 0.00 1.97 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 2.39 0.00 59 N 7.97 4.84 0.00 2.78 2.68 0.00 0.00 6.69 7.46 0.00 0.00 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 Q 8.82 4.19 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.78 2.56 0.00 61 A 8.19 4.02 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 62 I 7.89 3.59 1.88 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 1.53 1.19 0.94 0.00 0.00 63 T 7.94 3.85 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 1.17 0.00 0.00 64 H 7.93 4.09 0.00 3.30 3.37 0.00 5.88 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.35 4.50 0.00 4.04 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 66 I 7.96 4.06 1.57 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.37 0.87 0.00 0.00 67 T 7.94 4.16 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 68 V 8.02 3.69 2.06 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 0.97 0.00 0.00 0.91 0.00 0.00 69 G 8.66 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 70 S 7.27 4.46 0.00 3.84 3.71 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 71 R 8.51 4.96 0.00 1.74 1.87 0.00 3.07 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 72 I 8.76 4.91 1.86 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 1.17 1.77 1.04 0.00 0.00 73 T 8.42 4.98 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 1.29 0.00 0.00 74 V 9.17 4.62 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 0.87 0.00 0.00 75 Q 8.46 4.85 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 76 G 8.24 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 F 7.82 4.97 0.00 3.20 3.17 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 78 I 8.36 5.08 1.90 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 1.39 0.77 0.95 0.00 0.00 79 S 8.86 4.88 0.00 4.00 4.12 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 0.00 0.00 0.00 80 C 8.19 4.71 0.00 3.04 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 *81 H 7.98 4.95 0.00 2.96 3.10 0.00 7.22 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 82 K 7.68 4.60 0.00 1.69 1.75 0.00 1.69 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.37 7.81 83 A 7.73 4.19 1.26 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 0.00 0.00 0.00 84 K 8.60 4.34 0.00 1.76 1.85 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.37 7.81 85 N 8.59 4.98 0.00 2.59 2.70 0.00 0.00 7.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.16 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 0.00 0.00 0.00 87 L 7.75 4.35 0.00 1.65 1.66 0.92 1.12 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 88 S 8.53 4.23 0.00 3.91 3.39 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 0.00 0.00 0.00 0.00 89 K 8.62 4.29 0.00 1.71 1.65 0.00 1.54 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.25 1.28 7.81 90 M 8.63 4.68 0.00 1.80 1.85 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.10 0.00 91 V 8.78 4.59 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 0.98 0.00 0.00 0.68 0.00 0.00 92 L 8.34 4.64 0.00 1.66 1.43 0.83 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.51 4.38 0.00 1.40 2.55 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.23 4.62 1.14 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 95 E 9.04 4.62 0.00 1.97 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 2.27 2.30 0.00 96 Q 7.98 4.67 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 97 I 8.52 5.42 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 1.03 1.19 0.91 0.00 0.00 98 E 8.72 4.82 0.00 1.98 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 2.25 2.31 0.00 99 L 8.70 4.36 0.00 1.65 1.62 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.96 4.27 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 1.16 0.72 0.91 0.00 0.00 101 D 7.78 4.87 0.00 2.68 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.41 4.39 0.00 3.85 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 0.00 103 V 8.65 3.62 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 0.87 0.00 0.00 0.93 0.00 0.00 104 D 8.14 4.43 0.00 2.64 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 0.00 105 K 8.40 4.13 0.00 1.82 1.83 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.59 7.81 106 L 7.84 3.98 0.00 1.69 1.66 0.92 0.78 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 0.00 107 A 8.13 4.18 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.72 3.95 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 0.00 109 A 7.57 4.41 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 0.00 110 L 7.83 4.53 0.00 1.60 1.77 0.93 0.76 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 0.00 111 E 8.08 4.47 0.00 2.10 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 2.41 2.31 0.00 *112 H 7.72 4.31 0.00 2.90 3.11 0.00 7.23 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.35 4.42 0.00 3.19 3.52 0.00 5.72 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *114 H 7.77 4.17 0.00 2.99 2.39 0.00 7.22 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *115 H 9.55 4.15 0.00 2.92 2.99 0.00 7.20 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *116 H 8.23 4.60 0.00 2.67 2.91 0.00 5.84 0.00 0.00 0.00 0.00 6.91 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.