NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.2031 8.0549 120.6363 62.8417 32.8946 174.2380 3 Q 4.5723 8.5458 126.3875 53.6931 31.7086 173.0563 4 L 5.1538 8.6629 122.7433 52.9963 45.5773 174.9856 5 V 4.8151 9.0383 124.7644 61.2517 33.7634 174.8260 6 Q 5.7682 9.1226 126.6327 53.3411 31.2407 175.5502 7 S 4.4198 7.9610 116.5328 57.9159 64.1584 174.1141 8 G 3.9564 8.5594 108.4121 45.8001 0.0000 172.6252 9 A 4.5641 8.3730 121.6705 52.5403 19.3961 176.5356 10 E 4.6607 8.7546 118.2405 54.9204 33.7308 173.9667 11 V 4.8908 8.3665 125.2078 61.1117 33.9314 174.6540 12 K 4.8200 9.4919 126.7987 54.6587 36.4823 175.6711 13 R 4.8823 8.3721 121.3161 54.3908 32.0263 174.4183 14 P 4.4975 0.0000 0.0000 64.6676 31.7476 176.9122 15 G 3.9302 9.0267 111.6740 44.9692 0.0000 173.4541 16 S 4.6584 7.7110 114.6432 57.4807 65.9996 173.0521 17 S 5.2810 8.4004 113.8290 56.9823 67.0883 173.7802 18 V 4.6121 8.2585 119.9029 60.3645 35.0433 174.2968 19 T 4.8324 8.3693 118.4547 61.8478 71.3873 173.2122 20 V 4.4517 8.6787 127.2353 61.0149 34.1341 174.6299 21 S 5.0497 8.5672 121.8094 57.1530 65.9668 172.5925 22 C 4.8631 9.0678 121.4885 55.0288 43.0606 172.1980 23 K 4.9137 9.3247 128.9225 54.8851 33.4479 174.9590 24 A 5.3637 8.6003 128.9419 50.3338 21.8553 175.5422 25 S 4.6043 8.6617 115.9628 57.6913 67.2760 174.4024 26 G 4.2034 8.9872 108.3133 46.7120 0.0000 175.7091 27 G 3.8621 8.3530 108.2313 45.1231 0.0000 172.1831 28 S 4.8422 8.7843 113.6592 56.5867 64.4219 174.6557 29 F 4.6489 8.8084 128.3350 59.6276 40.3896 177.0397 30 S 4.2069 8.2888 116.9782 61.0115 62.8507 175.4398 31 T 4.4608 7.5574 107.4514 61.1231 68.7578 173.4440 32 Y 4.8301 7.2646 117.3923 56.4421 41.9320 174.5275 33 A 4.4903 9.1137 124.9146 51.3910 20.1828 176.0753 34 L 4.8839 8.6195 125.0223 53.2947 44.6760 175.5179 35 S 5.1696 8.8004 121.4559 56.4105 67.2054 172.7369 36 W 5.0202 8.9603 121.4511 54.9476 31.8436 175.1107 37 V 5.0223 9.3638 124.5986 61.1091 34.4834 174.4987 38 R 5.0172 9.0310 123.5475 54.5592 33.2562 174.8452 39 Q 4.8404 8.7781 120.4685 54.6289 31.7030 174.0344 40 A 4.4832 8.6372 129.9520 51.0494 19.2670 174.7596 41 P 4.3742 0.0000 0.0000 64.1827 31.6740 177.4765 42 G 3.9942 8.9870 111.2442 45.5399 0.0000 173.0259 43 R 4.5191 7.8250 118.5438 54.6986 32.4061 175.4391 44 G 4.0435 8.2138 108.0339 44.5103 0.0000 173.0647 45 L 4.5225 8.2119 119.2114 54.5530 42.5795 176.7538 46 E 4.7746 9.4421 124.0649 54.0417 32.6673 174.3067 47 W 4.6181 9.3019 135.0000 58.0629 31.0490 175.1330 48 M 4.2198 8.6038 127.3737 55.7567 33.4031 176.6662 49 G 3.3262 6.1621 105.5447 45.7172 0.0000 170.6581 50 G 4.6490 7.9851 106.1275 45.3290 0.0000 172.3470 51 V 4.9233 8.9746 118.8182 60.0757 35.1498 174.8005 52 I 4.3367 8.3359 125.2013 59.3822 37.6860 174.7575 53 P 4.1949 0.0000 0.0000 65.4065 31.3881 179.0865 54 L 3.9868 7.9702 118.6667 57.2436 41.9516 177.3522 55 L 4.4821 7.4822 115.6844 53.8983 42.8342 176.1577 56 T 3.4244 7.2807 115.1298 64.8614 66.6103 173.2300 57 I 4.4924 7.3296 121.8895 59.9338 39.7665 177.2031 58 T 4.6826 8.3234 117.4647 60.7619 71.2746 174.3395 59 N 4.5802 8.1839 120.5926 53.4052 41.5581 172.5495 60 Y 5.2348 8.4051 123.6028 55.8154 41.1023 175.9331 61 A 4.5241 9.0798 125.7954 51.4402 19.0582 177.0145 62 P 4.3661 0.0000 0.0000 65.9709 31.5322 178.7251 63 R 3.8564 8.0209 116.0321 58.1489 30.2109 176.4860 64 F 4.8568 8.2355 114.2602 56.8357 40.8934 175.0471 65 Q 3.9992 7.5671 119.3710 57.8872 28.7671 177.2805 66 G 4.0127 9.1067 111.0877 45.0656 0.0000 173.8087 67 R 4.6362 8.2314 116.6282 55.5693 32.2441 174.8351 68 I 4.9652 7.3518 118.4323 59.5785 41.4143 174.4161 69 T 4.6801 8.7958 124.3114 61.9734 72.7076 172.6972 70 I 5.1989 8.9144 127.3272 59.7879 39.7161 175.1394 71 T 5.0123 9.1571 115.6529 59.9659 72.8164 172.5174 72 A 5.3320 8.6837 122.8900 50.4159 22.4865 175.0020 73 D 4.8325 9.4783 123.0035 52.5260 42.0825 177.1579 74 R 4.1409 8.8295 126.6855 59.2246 30.6653 179.4816 75 S 4.1191 8.1036 113.5780 61.2547 62.7908 175.3412 76 T 4.3223 7.7699 105.7926 60.3912 69.3980 173.7565 77 S 2.0000 7.0161 116.9642 59.8599 61.1808 171.7444 78 T 4.9224 7.2128 114.8598 61.6660 71.3278 174.0740 79 A 5.3452 9.0602 128.3548 50.6523 22.1106 175.0816 80 Y 5.2341 9.4924 117.9014 56.1056 41.8980 174.3483 81 L 4.5350 8.3212 126.0673 52.9738 44.2067 174.3864 82 E 4.9071 8.9074 127.7160 54.1528 32.5928 174.0540 83 L 4.9559 8.6384 128.9845 53.4819 44.7619 175.6295 84 N 5.1833 9.0546 124.1356 50.3538 40.8069 175.1608 85 S 3.6318 8.2423 113.4016 59.6571 60.4430 172.9976 86 L 4.3494 7.7727 120.8637 55.1059 42.6926 177.4026 87 R 5.0699 9.9083 120.8480 53.5549 34.4141 174.8029 88 P 4.5647 0.0000 0.0000 65.1059 31.3579 178.6197 89 E 4.2289 8.0963 115.8404 58.3202 29.5756 177.3114 90 D 4.6301 8.0363 117.8646 55.8617 41.2109 176.4750 91 T 4.7570 7.8982 116.3817 64.1059 68.9094 173.3766 92 A 4.3686 8.3642 126.5823 51.6590 22.8224 174.2997 93 V 4.4999 8.1371 119.4355 62.1790 33.4087 174.2926 94 Y 4.9211 9.0409 126.0536 56.7093 40.0287 174.2907 95 Y 5.4302 9.7856 123.7368 56.8315 40.3958 172.5807 96 C 4.3677 8.9612 117.4292 53.8740 40.4062 172.4908 97 A 4.4880 7.8093 121.2811 50.5182 22.5072 175.1367 98 R 4.9454 8.4362 122.5107 53.8777 33.1836 175.1722 99 E 5.1441 7.9709 122.5529 56.1644 30.8417 176.8557 100 G 4.0376 8.4695 109.0949 45.7722 0.0000 172.0108 101 T 5.0767 8.1045 111.3266 60.5800 71.0927 175.3682 102 T 3.7654 8.7468 116.2247 63.5870 68.7050 175.5993 *108 G 3.8032 7.7766 108.6394 45.3225 0.0000 172.8445 109 K 4.3389 8.5650 129.2227 55.2677 33.1653 174.3562 110 P 4.9481 0.0000 0.0000 63.2824 31.6215 176.2434 111 I 4.2219 8.3602 113.7638 60.2071 38.5745 176.1021 112 G 4.1176 8.4839 114.5794 45.9990 0.0000 174.4758 113 A 3.5274 7.2669 122.8905 51.1867 19.0045 176.6646 114 F 4.8908 7.8514 118.9443 56.8732 38.3130 175.4910 115 A 4.3653 8.6131 126.7088 53.5965 19.7073 176.9202 116 H 5.1222 8.1134 112.6769 53.8891 31.4935 173.9612 117 W 5.2226 8.8785 121.7792 54.6275 32.7602 175.4500 118 G 4.4287 8.9828 111.3538 45.7126 0.0000 173.6521 119 Q 4.3357 8.7911 117.0179 56.9025 29.2584 177.1807 120 G 3.6226 8.7356 105.2575 45.3884 0.0000 172.8607 121 T 4.5519 8.4561 117.3315 61.1016 72.0124 173.1889 122 L 4.5772 8.5601 129.5563 54.8938 43.8064 175.5567 123 V 4.5616 9.1692 126.3738 61.6070 34.2076 174.0176 124 T 4.7717 8.6698 125.7728 62.1051 70.4655 174.0642 125 V 4.7897 8.7430 127.1374 61.2947 33.5115 174.3047 126 S 4.8205 8.7758 122.1491 57.1021 65.1004 174.3779 127 S 4.2440 8.9240 121.6600 60.3177 63.3463 174.1012 128 L 4.0078 7.7947 122.7258 55.0721 41.8757 177.4448 129 E 4.1086 8.8794 126.8870 59.5129 29.1367 178.4975 130 H 4.1418 8.2467 117.4238 59.7158 29.8323 176.4395 131 H 4.3087 8.0154 117.2623 58.4923 28.5484 176.6182 132 H 4.4216 7.8854 116.0323 55.8614 29.5382 174.7515 133 H 4.4813 8.5919 121.8372 56.1562 28.9994 174.5293 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 2 V 8.05 4.20 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 0.98 0.00 0.00 0.72 0.00 0.00 3 Q 8.55 4.57 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 4 L 8.66 5.15 0.00 1.55 1.49 0.81 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 5 V 9.04 4.82 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 0.80 0.00 0.00 0.94 0.00 0.00 6 Q 9.12 5.77 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.18 0.00 7 S 7.96 4.42 0.00 3.93 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 8 G 8.56 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 9 A 8.37 4.56 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 10 E 8.75 4.66 0.00 2.01 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 0.00 2.16 2.23 0.00 11 V 8.37 4.89 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 0.68 0.00 0.00 0.87 0.00 0.00 12 K 9.49 4.82 0.00 1.60 1.61 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.46 7.81 13 R 8.37 4.88 0.00 1.70 1.76 0.00 2.99 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.41 0.00 14 P 0.00 4.50 0.00 2.03 2.01 0.00 3.65 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 2.04 2.12 0.00 15 G 9.03 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 16 S 7.71 4.66 0.00 3.89 4.05 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 17 S 8.40 5.28 0.00 3.68 3.65 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 0.00 0.00 0.00 0.00 18 V 8.26 4.61 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 0.46 0.00 0.00 0.78 0.00 0.00 19 T 8.37 4.83 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 1.19 0.00 0.00 20 V 8.68 4.45 1.59 0.00 0.00 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 0.64 0.00 0.00 21 S 8.57 5.05 0.00 3.69 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 22 C 9.07 4.86 0.00 2.90 3.07 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 23 K 9.32 4.91 0.00 1.73 1.61 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 1.47 7.81 24 A 8.60 5.36 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 25 S 8.66 4.60 0.00 3.74 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 26 G 8.99 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 27 G 8.35 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 0.00 0.00 0.00 28 S 8.78 4.84 0.00 3.91 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 29 F 8.81 4.65 0.00 3.03 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 30 S 8.29 4.21 0.00 3.94 3.88 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 31 T 7.56 4.46 3.88 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 1.06 0.00 0.00 32 Y 7.26 4.83 0.00 2.90 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 33 A 9.11 4.49 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 34 L 8.62 4.88 0.00 1.54 1.35 0.80 0.30 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 35 S 8.80 5.17 0.00 2.95 3.48 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 0.00 36 W 8.96 5.02 0.00 3.06 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 37 V 9.36 5.02 2.40 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 1.36 0.00 0.00 1.10 0.00 0.00 38 R 9.03 5.02 0.00 0.97 1.22 0.00 2.21 0.00 0.00 2.77 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.37 0.00 39 Q 8.78 4.84 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.62 0.00 40 A 8.64 4.48 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 P 0.00 4.37 0.00 2.07 2.04 0.00 3.75 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 2.05 2.11 0.00 42 G 8.99 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 43 R 7.82 4.52 0.00 1.91 1.94 0.00 3.18 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 44 G 8.21 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 45 L 8.21 4.52 0.00 1.68 1.80 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.44 4.77 0.00 2.10 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 2.51 2.43 0.00 47 W 9.30 4.62 0.00 3.55 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 M 8.60 4.22 0.00 1.43 1.86 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.10 0.00 49 G 6.16 3.33 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 0.00 50 G 7.99 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.97 4.92 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 0.80 0.00 0.00 0.94 0.00 0.00 52 I 8.34 4.34 1.84 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 1.21 0.78 0.85 0.00 0.00 53 P 0.00 4.19 0.00 2.05 1.98 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.69 0.00 54 L 7.97 3.99 0.00 1.54 1.66 0.91 1.12 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 55 L 7.48 4.48 0.00 1.58 1.64 0.89 0.90 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 56 T 7.28 3.42 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 1.24 0.00 0.00 57 I 7.33 4.49 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 1.40 0.89 0.90 0.00 0.00 58 T 8.32 4.68 3.64 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 0.00 0.00 0.00 1.20 0.00 0.00 59 N 8.18 4.58 0.00 2.90 2.82 0.00 0.00 7.45 7.60 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 60 Y 8.41 5.23 0.00 2.94 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 61 A 9.08 4.52 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 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.37 0.00 2.23 2.20 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 63 R 8.02 3.86 0.00 1.63 1.54 0.00 3.02 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.36 0.00 64 F 8.24 4.86 0.00 3.17 2.91 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 65 Q 7.57 4.00 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.47 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 66 G 9.11 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 0.00 0.00 0.00 67 R 8.23 4.64 0.00 1.78 2.05 0.00 3.09 0.00 0.00 3.11 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 68 I 7.35 4.97 1.72 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 1.17 0.65 0.38 0.00 0.00 69 T 8.80 4.68 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 1.26 0.00 0.00 70 I 8.91 5.20 2.04 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.89 1.19 0.00 0.00 71 T 9.16 5.01 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 72 A 8.68 5.33 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 73 D 9.48 4.83 0.00 2.89 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 74 R 8.83 4.14 0.00 2.01 2.08 0.00 3.28 0.00 0.00 3.43 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 75 S 8.10 4.12 0.00 3.92 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 76 T 7.77 4.32 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 1.20 0.00 0.00 77 S 7.02 2.00 0.00 3.78 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.21 4.92 4.08 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 0.00 0.00 0.51 0.00 0.00 79 A 9.06 5.35 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 80 Y 9.49 5.23 0.00 2.93 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 81 L 8.32 4.54 0.00 0.27 0.13 0.50 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.91 4.91 0.00 1.92 1.73 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 2.06 2.09 0.00 83 L 8.64 4.96 0.00 1.47 1.24 0.86 0.66 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 84 N 9.05 5.18 0.00 2.54 2.69 0.00 0.00 7.23 7.55 0.00 0.00 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 S 8.24 3.63 0.00 3.92 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 86 L 7.77 4.35 0.00 1.71 1.58 0.85 0.89 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 87 R 9.91 5.07 0.00 1.77 1.79 0.00 3.46 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 88 P 0.00 4.56 0.00 2.19 2.13 0.00 3.89 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 89 E 8.10 4.23 0.00 1.99 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 2.34 2.41 0.00 90 D 8.04 4.63 0.00 2.87 2.87 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 91 T 7.90 4.76 4.38 0.00 0.00 0.00 0.00 0.00 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 92 A 8.36 4.37 1.07 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 0.00 0.00 93 V 8.14 4.50 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 0.50 0.00 0.00 0.90 0.00 0.00 94 Y 9.04 4.92 0.00 2.93 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 95 Y 9.79 5.43 0.00 3.37 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 96 C 8.96 4.37 0.00 1.63 1.18 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 97 A 7.81 4.49 -0.45 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 0.00 0.00 98 R 8.44 4.95 0.00 1.72 1.67 0.00 3.11 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.67 0.00 99 E 7.97 5.14 0.00 2.04 2.16 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 2.58 2.10 0.00 100 G 8.47 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 0.00 101 T 8.10 5.08 4.17 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 0.89 0.00 0.00 102 T 8.75 3.77 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 *108 G 7.78 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 0.00 0.00 0.00 109 K 8.56 4.34 0.00 1.88 1.74 0.00 1.74 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.47 7.81 110 P 0.00 4.95 0.00 2.30 2.35 0.00 3.86 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 111 I 8.36 4.22 1.83 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 1.36 0.74 0.94 0.00 0.00 112 G 8.48 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 0.00 113 A 7.27 3.53 1.11 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 0.00 114 F 7.85 4.89 0.00 2.83 2.20 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 0.00 115 A 8.61 4.37 1.06 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 0.00 116 H 8.11 5.12 0.00 3.01 3.16 0.00 5.56 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 W 8.88 5.22 0.00 3.05 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 0.00 118 G 8.98 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 8.79 4.34 0.00 2.25 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.48 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 120 G 8.74 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 0.00 0.00 0.00 121 T 8.46 4.55 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 1.28 0.00 0.00 122 L 8.56 4.58 0.00 1.77 1.54 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 123 V 9.17 4.56 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 0.82 0.00 0.00 0.67 0.00 0.00 124 T 8.67 4.77 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 1.10 0.00 0.00 125 V 8.74 4.79 2.20 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 1.00 0.00 0.00 0.94 0.00 0.00 126 S 8.78 4.82 0.00 3.89 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 0.00 127 S 8.92 4.24 0.00 3.92 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 0.00 128 L 7.79 4.01 0.00 1.74 1.56 0.84 0.91 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 0.00 129 E 8.88 4.11 0.00 2.04 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 2.42 2.32 0.00 130 H 8.25 4.14 0.00 3.05 3.25 0.00 5.93 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 8.02 4.31 0.00 3.22 3.12 0.00 5.71 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 7.89 4.42 0.00 3.10 3.32 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 H 8.59 4.48 0.00 3.30 3.35 0.00 5.69 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.