NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 3.9440 0.0000 0.0000 61.8960 33.0866 174.8293 2 L 5.2122 8.0603 121.2102 51.7126 45.2750 173.5154 3 R 4.6813 9.3302 119.9057 56.6038 34.6213 177.6549 *5 G 4.0469 9.3232 107.0339 45.5350 0.0000 173.6649 6 G 3.8539 8.8470 107.9587 47.3006 0.0000 174.0833 7 N 4.6689 8.1509 116.0825 52.3358 37.5717 175.4938 8 G 3.9094 8.1719 105.5768 46.0854 0.0000 173.1907 9 Q 4.7565 7.8801 119.3896 53.4316 31.5667 175.4457 10 L 4.4646 8.7865 125.2966 55.2972 42.7883 176.1969 11 Q 4.7008 9.2255 123.0302 54.5657 32.3372 173.1710 12 Y 5.2862 8.8496 127.0403 55.8521 40.8767 174.5096 13 W 5.1936 7.3492 121.8498 54.0784 31.3470 173.0449 14 P 4.1052 0.0000 0.0000 61.9905 31.7224 176.1730 15 F 4.2036 8.0909 118.5186 57.6822 39.5028 175.9118 16 S 4.3647 8.6979 118.9797 58.1043 64.0327 175.5730 17 S 3.9587 8.6659 123.4178 61.3392 62.8517 176.8576 18 S 4.1112 7.8523 118.9650 61.4570 62.4069 176.2876 19 D 3.5659 7.6009 120.9992 56.9102 40.5263 178.4904 20 L 3.5322 6.6723 119.3354 58.0592 41.5225 179.4305 21 Y 4.3164 7.6735 116.6051 60.8883 37.7490 178.2447 22 N 4.3474 8.1347 117.7876 55.9818 38.3927 177.4136 23 W 4.4311 7.7389 119.5090 59.6122 29.3060 178.1227 24 K 4.1486 8.1719 119.4792 59.8685 31.5544 178.5788 25 N 4.5656 8.5087 114.7611 55.1480 38.4738 176.1120 26 N 4.9384 7.8030 116.4489 52.0592 39.2510 174.0470 27 N 5.1009 7.2935 117.0268 50.7158 42.7738 172.5343 28 P 4.5256 0.0000 0.0000 61.9723 32.4229 177.0291 29 S 4.4561 8.2870 114.7889 58.0643 64.5867 174.9514 30 F 4.1993 8.7817 124.0529 61.7510 38.9071 177.4246 31 S 4.0943 8.1928 113.6599 61.5764 62.6782 176.2163 32 E 4.2939 7.9087 120.3483 58.4949 30.1370 177.1695 33 D 4.4383 7.6774 116.6580 51.6179 43.1005 173.5388 34 P 3.9637 0.0000 0.0000 64.0996 31.3678 177.9824 35 G 3.7017 8.1060 104.2617 48.1153 0.0000 175.0490 36 K 3.9345 7.8724 120.5410 59.6863 32.0707 179.3136 37 L 4.0504 7.8384 118.3967 58.0555 41.7003 179.7046 38 T 3.8907 8.1521 115.6611 66.6889 68.4869 176.5068 39 A 3.9762 8.1315 122.6320 54.8083 18.3065 179.4901 40 L 3.6921 7.8058 118.8420 58.4191 42.1415 179.3428 41 I 3.4589 8.0309 120.1521 64.1246 37.1138 177.9113 42 E 3.8697 8.4581 120.6592 59.2820 29.3146 178.9516 43 S 4.0823 7.8590 112.8299 61.4883 62.5093 176.2729 44 V 3.4970 7.6570 120.9827 65.9679 30.9147 177.8027 45 L 4.1016 7.9996 118.2204 57.8514 41.2822 179.4469 46 T 4.1830 7.4144 114.7992 66.6585 68.5619 177.3687 47 T 3.7837 8.0578 110.4432 64.5177 69.2035 175.3463 48 H 4.5281 8.9567 117.4734 54.5523 30.1229 174.5673 49 Q 3.6942 7.5990 119.6660 56.0177 26.6845 172.5571 50 P 4.3554 0.0000 0.0000 62.9037 32.5761 177.5421 51 T 4.4570 8.7068 111.7771 60.6227 71.6602 175.4448 52 W 3.8463 8.7119 129.0014 60.8302 30.6760 177.5015 53 D 4.3315 8.4018 118.3781 57.4623 40.2642 178.2955 54 D 4.4851 8.1205 119.1372 57.7363 40.7690 178.6683 55 C 4.2009 8.3124 117.1945 62.9155 28.0794 176.2084 56 Q 3.7268 7.5973 119.6988 58.8847 28.1893 178.8899 57 Q 4.0021 7.9511 118.9567 58.7457 28.6952 178.3586 58 L 3.8398 8.1143 120.1038 57.9560 41.7453 179.6160 59 L 3.9786 8.1304 118.6939 57.8954 41.4186 180.0139 60 G 3.6119 8.2878 104.6294 47.7846 0.0000 175.2493 61 T 4.2217 7.7764 116.7565 65.3791 68.9457 176.4529 62 L 4.4057 7.9723 119.1402 54.3233 42.5184 176.5856 63 L 4.9233 7.1198 117.9629 52.5810 44.4621 176.8169 64 T 4.3908 9.0074 112.9921 60.9278 71.2046 176.0088 65 G 3.6675 8.5627 107.3665 48.2625 0.0000 175.6520 66 E 4.0950 8.1070 120.3381 58.8546 29.5029 179.1705 67 E 4.0094 8.1249 118.4374 59.2171 29.5947 179.0581 68 K 3.7751 8.2068 119.8816 59.6300 32.2238 178.7237 69 Q 4.0046 7.9722 117.9378 58.8954 28.6383 178.8051 70 R 3.8553 7.7773 119.2878 59.4604 30.0842 178.6277 71 V 3.5086 7.8724 118.0782 66.0999 31.5030 177.9809 72 L 3.9816 8.3320 119.0380 57.8295 41.4726 179.5567 73 L 4.0504 8.0192 119.0091 57.5370 41.3166 179.1069 74 E 3.8970 8.0975 118.5870 58.9975 29.8950 178.4258 75 A 3.7639 7.8863 121.2453 55.0233 18.1972 179.8958 76 R 3.8508 7.7034 116.5549 58.9779 29.9132 178.8376 77 K 4.1021 7.9442 117.7570 58.0582 32.3162 177.5890 78 A 4.3509 7.3179 118.8857 51.6342 19.7049 177.4706 79 V 3.7374 7.1867 118.4442 62.6631 32.2995 175.0708 80 R 4.8761 8.3031 124.5816 54.2012 33.2050 176.1459 81 G 3.9741 8.7084 111.2267 44.5536 0.0000 173.9147 82 N 4.5313 8.6413 115.6411 54.4624 37.3530 175.1631 83 D 4.6250 8.0540 117.8866 52.7908 39.7000 177.0027 84 G 3.8922 8.1418 106.4284 46.3967 0.0000 173.9691 85 R 4.6670 7.8015 118.4420 53.0686 32.6496 174.1042 86 P 4.8025 0.0000 0.0000 62.7370 31.9285 176.0619 87 T 4.6728 8.0888 113.8315 61.0144 70.2869 173.4369 88 Q 4.5602 8.5433 125.1851 55.4533 29.6738 175.9757 89 L 4.1153 7.9348 119.8622 54.1065 42.1003 175.6963 90 P 4.2612 0.0000 0.0000 65.8618 31.4054 178.1984 91 N 4.4728 8.1922 115.0256 55.9828 37.2613 176.9846 92 E 3.9999 8.1147 120.3919 59.0971 29.6897 179.1246 93 V 3.6798 8.0772 118.4876 66.2682 31.4045 177.8452 94 D 4.4352 8.4900 117.5918 57.3600 40.7087 178.3558 95 A 4.2555 8.0179 120.3618 54.7910 18.4234 179.3498 96 A 4.5307 8.0349 118.4870 53.9578 20.1070 178.1104 97 F 5.1079 8.3547 119.4843 55.5311 39.3329 171.7721 98 P 4.5491 0.0000 0.0000 62.0386 32.0428 176.8701 99 L 4.5323 8.5662 121.5915 55.9504 42.3112 176.6998 100 E 4.7104 7.6464 116.6874 53.5121 32.3040 175.3896 101 R 2.0000 7.9174 120.8888 55.6752 29.9746 174.6333 102 P 3.9517 0.0000 0.0000 61.7092 32.3389 174.7273 103 D 4.6007 7.7016 115.5376 52.8934 39.7014 176.5612 104 W 4.2889 7.6048 120.1878 57.7806 29.4709 175.0246 105 D 4.6429 8.6413 123.4229 52.2983 41.1607 176.2624 106 Y 4.2913 8.1002 125.8506 59.3680 38.1410 176.8761 107 T 4.3288 8.3667 110.3908 62.3696 69.5550 174.9467 108 T 4.6545 7.7888 114.2217 59.8363 72.3557 174.7032 109 Q 4.0492 8.6391 123.5880 59.4468 29.1463 179.1617 110 R 3.9534 7.9810 118.7545 59.1423 30.2488 179.0356 111 G 3.5861 8.1788 105.4507 47.8480 0.0000 175.8758 112 R 3.9667 8.3954 121.1693 59.0713 30.1167 178.9186 113 N 4.2386 8.2392 116.2554 56.6463 38.5108 177.1629 114 H 3.6532 7.6823 117.2394 58.3948 28.4286 177.6449 115 L 3.9052 7.4456 122.0691 57.9680 41.9399 178.9275 116 V 3.5812 7.9209 118.5119 66.1459 31.3738 177.6953 117 L 4.1261 7.9249 119.7751 58.2718 41.8289 178.1666 118 Y 4.3096 8.5020 119.8377 61.0526 38.8211 178.4398 119 R 4.0186 8.5056 119.0592 59.3798 30.1818 179.0804 120 Q 4.0268 8.3288 117.8838 59.0775 28.6904 178.9605 121 L 3.9821 8.4145 120.3886 57.3373 41.3777 179.2529 122 L 3.8224 7.9979 120.0910 58.0069 42.1231 178.4568 123 L 4.0341 7.7610 118.7062 58.0624 42.2335 178.3910 124 A 4.4129 8.0811 120.8129 55.0558 18.2186 180.2206 125 G 3.5947 8.0377 100.8740 46.0787 0.0000 175.1063 *127 Q 4.3446 7.9929 121.4334 55.7840 30.7011 177.5032 128 N 4.3766 8.4502 114.1051 55.9435 38.8250 176.6014 129 A 4.1944 8.4740 121.1424 54.9388 18.8046 179.0483 130 G 3.5519 8.3313 104.2200 48.6357 0.0000 173.6686 131 R 4.0788 7.5527 122.6665 56.1084 30.0692 176.2866 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 P 0.00 3.94 0.00 0.49 0.79 0.00 2.28 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.93 0.00 2 L 8.06 5.21 0.00 1.47 1.42 0.83 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 3 R 9.33 4.68 0.00 1.94 1.69 0.00 2.69 0.00 0.00 2.81 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 *5 G 9.32 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 0.00 0.00 0.00 6 G 8.85 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 7 N 8.15 4.67 0.00 2.84 2.92 0.00 0.00 6.11 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 8 G 8.17 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 9 Q 7.88 4.76 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 10 L 8.79 4.46 0.00 1.76 1.57 1.06 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 9.23 4.70 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 12 Y 8.85 5.29 0.00 2.80 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 13 W 7.35 5.19 0.00 3.11 2.85 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 14 P 0.00 4.11 0.00 2.21 2.17 0.00 3.62 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 2.07 2.24 0.00 15 F 8.09 4.20 0.00 3.01 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 16 S 8.70 4.36 0.00 3.95 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 17 S 8.67 3.96 0.00 4.16 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 18 S 7.85 4.11 0.00 3.81 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 19 D 7.60 3.57 0.00 2.20 1.54 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 20 L 6.67 3.53 0.00 1.13 1.20 0.69 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.67 4.32 0.00 3.04 2.89 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 22 N 8.13 4.35 0.00 2.62 2.80 0.00 0.00 6.92 7.24 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 23 W 7.74 4.43 0.00 3.44 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 24 K 8.17 4.15 0.00 1.92 2.11 0.00 1.91 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.56 7.81 25 N 8.51 4.57 0.00 2.81 2.89 0.00 0.00 7.07 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 26 N 7.80 4.94 0.00 2.93 2.88 0.00 0.00 6.73 7.98 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 27 N 7.29 5.10 0.00 2.76 2.69 0.00 0.00 6.91 7.96 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 28 P 0.00 4.53 0.00 2.04 2.00 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 29 S 8.29 4.46 0.00 4.11 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 30 F 8.78 4.20 0.00 3.10 3.46 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 0.00 0.00 0.00 0.00 31 S 8.19 4.09 0.00 3.93 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 32 E 7.91 4.29 0.00 2.13 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 2.34 2.32 0.00 33 D 7.68 4.44 0.00 2.59 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 0.00 0.00 0.00 0.00 34 P 0.00 3.96 0.00 1.87 0.89 0.00 3.75 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.49 0.00 35 G 8.11 3.70 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 0.00 0.00 0.00 36 K 7.87 3.93 0.00 1.74 2.01 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.64 7.81 37 L 7.84 4.05 0.00 1.89 1.78 1.08 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.15 3.89 4.29 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 1.26 0.00 0.00 39 A 8.13 3.98 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 40 L 7.81 3.69 0.00 1.64 1.68 0.80 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.03 3.46 1.88 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.36 0.83 0.00 0.00 42 E 8.46 3.87 0.00 2.06 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 0.00 2.29 2.31 0.00 43 S 7.86 4.08 0.00 3.98 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 44 V 7.66 3.50 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 0.85 0.00 0.00 -0.10 0.00 0.00 45 L 8.00 4.10 0.00 1.82 1.75 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.41 4.18 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 1.23 0.00 0.00 47 T 8.06 3.78 4.30 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 1.25 0.00 0.00 48 H 8.96 4.53 0.00 3.48 3.31 0.00 5.95 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 49 Q 7.60 3.69 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 50 P 0.00 4.36 0.00 2.26 2.13 0.00 3.98 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 51 T 8.71 4.46 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 1.35 0.00 0.00 52 W 8.71 3.85 0.00 3.08 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 53 D 8.40 4.33 0.00 2.82 2.78 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 54 D 8.12 4.49 0.00 2.98 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 55 C 8.31 4.20 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 56 Q 7.60 3.73 0.00 1.91 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 1.37 1.28 0.00 57 Q 7.95 4.00 0.00 2.44 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 58 L 8.11 3.84 0.00 1.86 1.66 0.95 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.13 3.98 0.00 1.60 1.64 0.91 0.73 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 60 G 8.29 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.78 4.22 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 0.94 0.00 0.00 62 L 7.97 4.41 0.00 1.56 1.72 0.89 0.93 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 63 L 7.12 4.92 0.00 1.63 1.44 0.59 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 64 T 9.01 4.39 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 1.30 0.00 0.00 65 G 8.56 3.67 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 0.00 0.00 0.00 66 E 8.11 4.10 0.00 2.10 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 2.41 2.47 0.00 67 E 8.12 4.01 0.00 2.27 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 2.61 2.41 0.00 68 K 8.21 3.78 0.00 1.82 1.93 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.44 7.81 69 Q 7.97 4.00 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.63 2.53 0.00 70 R 7.78 3.86 0.00 2.12 2.03 0.00 3.18 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 1.67 0.00 71 V 7.87 3.51 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 0.93 0.00 0.00 0.62 0.00 0.00 72 L 8.33 3.98 0.00 1.74 1.84 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.02 4.05 0.00 1.69 1.70 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.10 3.90 0.00 2.16 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 2.37 2.34 0.00 75 A 7.89 3.76 0.28 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 76 R 7.70 3.85 0.00 1.86 2.02 0.00 3.38 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.72 0.00 77 K 7.94 4.10 0.00 1.83 2.06 0.00 1.77 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 78 A 7.32 4.35 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 79 V 7.19 3.74 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 1.01 0.00 0.00 1.06 0.00 0.00 80 R 8.30 4.88 0.00 1.78 1.79 0.00 3.44 0.00 0.00 3.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 81 G 8.71 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 82 N 8.64 4.53 0.00 2.83 2.96 0.00 0.00 5.87 8.06 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 83 D 8.05 4.62 0.00 2.78 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 84 G 8.14 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 0.00 0.00 0.00 85 R 7.80 4.67 0.00 2.00 1.82 0.00 3.14 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 86 P 0.00 4.80 0.00 2.04 1.99 0.00 3.70 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 87 T 8.09 4.67 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 1.30 0.00 0.00 88 Q 8.54 4.56 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 89 L 7.93 4.12 0.00 1.75 1.65 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.26 0.00 2.17 2.16 0.00 3.62 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 91 N 8.19 4.47 0.00 2.97 3.10 0.00 0.00 6.20 7.66 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 92 E 8.11 4.00 0.00 2.22 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 2.43 2.39 0.00 93 V 8.08 3.68 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 1.21 0.00 0.00 0.97 0.00 0.00 94 D 8.49 4.44 0.00 2.78 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 95 A 8.02 4.26 1.48 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 0.00 0.00 96 A 8.03 4.53 1.55 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 0.00 0.00 0.00 0.00 0.00 0.00 97 F 8.35 5.11 0.00 3.06 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 98 P 0.00 4.55 0.00 1.71 1.72 0.00 3.88 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 2.25 0.00 99 L 8.57 4.53 0.00 1.72 1.84 1.01 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.65 4.71 0.00 1.74 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 2.20 2.24 0.00 101 R 7.92 2.00 0.00 1.24 1.45 0.00 3.07 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 1.15 1.04 0.00 102 P 0.00 3.95 0.00 0.49 0.58 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 103 D 7.70 4.60 0.00 2.70 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 0.00 104 W 7.60 4.29 0.00 3.35 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 0.00 105 D 8.64 4.64 0.00 2.59 2.50 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 0.00 106 Y 8.10 4.29 0.00 3.10 3.16 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 0.00 107 T 8.37 4.33 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 1.14 0.00 0.00 108 T 7.79 4.65 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 1.19 0.00 0.00 109 Q 8.64 4.05 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 110 R 7.98 3.95 0.00 1.89 1.96 0.00 3.19 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 111 G 8.18 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 8.40 3.97 0.00 1.96 2.00 0.00 3.17 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.97 0.00 113 N 8.24 4.24 0.00 2.67 2.74 0.00 0.00 7.07 7.82 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 0.00 114 H 7.68 3.65 0.00 2.20 1.31 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.45 3.91 0.00 2.02 1.74 1.28 0.91 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 0.00 116 V 7.92 3.58 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 0.93 0.00 0.00 1.01 0.00 0.00 117 L 7.92 4.13 0.00 1.77 1.76 0.96 0.74 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 0.00 118 Y 8.50 4.31 0.00 3.42 3.32 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 0.00 119 R 8.51 4.02 0.00 2.12 2.03 0.00 3.25 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.07 0.00 120 Q 8.33 4.03 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 121 L 8.41 3.98 0.00 1.94 1.50 1.11 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.00 3.82 0.00 1.67 1.86 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 123 L 7.76 4.03 0.00 1.66 1.85 0.90 0.88 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 0.00 124 A 8.08 4.41 1.32 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 0.00 0.00 0.00 125 G 8.04 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *127 Q 7.99 4.34 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 128 N 8.45 4.38 0.00 2.68 2.86 0.00 0.00 7.05 7.91 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 0.00 129 A 8.47 4.19 1.50 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 0.00 0.00 130 G 8.33 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 R 7.55 4.08 0.00 1.77 1.84 0.00 3.18 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.