NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3095 8.3293 118.8258 55.5467 30.7629 175.2633 4 L 3.8904 7.8231 120.1847 53.8951 40.9726 176.1718 5 T 4.2977 8.5126 114.4233 60.8050 72.2754 176.4267 6 E 3.9504 8.5406 120.6596 59.2839 29.7913 177.7810 7 E 3.9784 8.2697 118.9454 59.5156 29.6141 178.8200 8 Q 4.2234 8.1079 117.6430 59.2628 28.8101 178.6588 9 I 3.9535 7.9562 120.5886 64.5418 37.0805 178.3512 10 A 4.0936 8.6360 121.9816 55.1304 18.0850 179.6379 11 E 3.9547 8.1310 116.6992 59.7582 29.5304 179.6328 12 F 4.2714 8.5090 117.8407 60.3163 38.9556 177.7495 13 K 4.4866 8.8929 119.9808 59.5543 32.1617 178.5795 14 E 4.0225 8.6994 119.6018 59.1623 29.1132 178.4975 15 A 4.1361 8.5382 121.2556 55.3259 18.5330 179.2232 16 F 3.3471 8.6344 119.4899 61.3974 39.1943 177.5496 17 S 4.3781 8.1279 112.4460 61.1691 62.8363 176.1066 18 L 4.1227 7.6051 121.9264 57.5324 41.3448 179.1862 19 F 4.0735 7.4503 115.6472 59.9987 40.5415 177.0671 20 D 4.6243 7.9831 118.8057 52.5798 36.9932 176.2312 21 K 3.7685 7.7820 123.8406 59.8617 32.6472 178.3432 22 D 4.4489 8.0657 114.3973 52.9781 40.0321 176.2519 23 G 4.5101 7.8784 109.0954 47.0751 0.0000 173.2501 24 D 4.7795 8.5073 111.7943 52.9054 40.3257 178.0040 25 G 4.1566 9.2368 108.2699 45.7084 0.0000 172.9414 26 T 5.1299 7.6208 112.1199 60.4258 71.6645 172.8871 27 I 4.6590 8.7128 125.8026 59.6236 39.5982 176.0021 28 T 4.6940 8.6638 118.1968 61.2483 70.5710 175.8759 29 T 4.1533 8.4978 117.1126 65.1747 68.5486 177.1699 30 K 3.9619 7.8984 122.1481 59.5471 32.3051 178.4125 31 E 4.0005 8.2302 118.9250 59.1517 29.0821 179.1679 32 L 4.3654 8.0053 119.9069 58.3145 42.3148 179.0768 33 G 3.7561 7.9076 104.2260 47.8065 0.0000 175.5618 34 T 4.0724 8.0590 118.0815 66.4306 68.5439 177.7149 35 V 3.3496 7.3049 118.1136 63.2493 31.3532 177.9931 *37 R 5.0906 8.2054 115.8875 56.0956 31.6631 177.8315 38 S 4.2038 7.9487 107.8450 59.4280 62.5733 174.1888 39 L 4.3268 7.5704 120.9338 54.9585 42.2299 176.7563 40 G 3.9391 8.7532 105.8852 45.9639 0.0000 173.2903 41 Q 4.7078 7.7435 117.7528 54.1452 31.8595 174.4144 42 N 5.2963 8.1257 116.3164 51.4300 38.8132 172.1688 43 P 5.2882 0.0000 0.0000 62.0611 33.0938 177.5898 44 T 4.4420 8.3413 110.9751 60.4663 71.7516 175.2269 45 E 3.8895 8.7878 122.4746 59.7279 29.4289 179.0255 46 A 3.9771 7.9818 119.8016 55.3953 18.5532 179.1179 47 E 3.9116 8.4604 117.0140 59.6837 29.3623 179.7413 48 L 4.0188 8.1439 118.0760 57.8924 41.8929 179.1152 49 Q 4.1650 8.4714 119.8500 58.9273 28.9277 178.4470 50 D 4.7164 8.2194 120.4266 54.3298 40.8740 178.5898 *52 I 4.1148 7.7934 121.7219 61.5321 38.8671 177.9705 53 N 4.2905 8.3526 117.7198 56.4117 38.4312 176.6716 54 E 4.0751 7.7878 115.7070 58.0405 29.6296 177.6031 55 V 4.4162 7.0500 109.5786 60.6126 34.2206 176.4110 56 D 4.8944 8.2961 121.7141 53.3099 39.0314 176.1752 57 A 3.9692 8.2867 126.2223 54.7364 18.8859 178.5754 58 D 4.6262 8.5087 112.6901 52.6002 39.4125 176.2805 59 G 4.1010 7.6305 106.0787 46.8274 0.0000 173.8716 60 N 4.5794 8.2424 113.5879 52.3080 37.4146 176.3634 61 G 3.9668 9.8688 108.9661 45.6975 0.0000 172.8956 62 T 4.7823 7.4632 107.0242 59.8786 72.5008 173.0741 63 I 5.3749 8.5086 121.3555 59.1436 39.6972 175.9409 64 D 5.1887 8.6802 127.6972 52.3660 42.4203 176.6082 65 F 3.2362 8.8861 119.1456 61.0912 39.2322 175.5946 66 P 4.2267 0.0000 0.0000 65.9975 31.0731 178.1405 67 E 3.9657 8.6003 118.2941 58.7626 29.0593 179.1489 68 F 4.0702 7.8153 120.3211 61.2481 39.5972 176.8061 69 L 3.6665 7.5462 117.3334 57.3487 42.9522 179.3692 70 T 3.9957 7.6301 116.3122 63.6902 63.9870 174.3343 *73 A 4.2680 7.6876 125.0539 52.0604 21.1528 178.8504 74 R 4.0939 7.8801 114.0390 59.2771 30.2597 178.6908 75 K 4.1471 7.7639 113.4773 56.9208 31.3774 177.6633 *77 K 4.3376 8.0454 122.5051 56.0170 34.1205 175.5928 78 D 4.9071 7.7666 116.2475 51.2225 38.9614 174.5488 79 T 4.6814 7.3867 110.3632 60.2965 72.5688 174.1735 80 D 4.4980 8.6229 124.3443 52.9886 40.6092 176.5299 81 S 4.4793 9.0302 119.7127 61.0027 62.2865 175.7794 82 E 3.9845 8.3504 121.0932 59.6157 29.2034 178.3890 83 E 4.0216 8.2322 119.1215 59.2847 29.5801 178.6661 84 E 4.0688 8.1736 118.2634 59.3685 29.5434 179.1884 85 I 3.9597 8.3252 120.3877 64.5203 37.2185 178.4657 86 R 4.0769 8.3213 119.6118 59.3392 29.6580 178.2016 87 E 3.9003 8.1608 118.0898 59.1520 30.0287 178.1961 88 A 4.1678 8.6283 121.2594 55.3453 18.4526 179.2803 89 F 3.3545 8.6258 119.1665 61.4308 39.1472 177.5933 90 R 3.8608 7.8553 116.4672 58.8063 29.8158 178.9637 91 V 3.5721 7.1870 117.7275 65.8785 31.5656 177.8198 92 F 4.3213 7.4971 116.0086 59.5907 40.4402 176.4285 93 D 4.4273 7.7679 120.0358 52.0164 37.4013 176.2815 94 K 3.7494 7.7999 123.0601 59.4599 32.6438 178.0640 95 D 4.5049 8.3454 114.5819 52.7769 39.5481 176.3909 96 G 3.9838 7.9712 107.6025 46.8389 0.0000 174.1730 97 N 4.5802 8.6479 114.8030 52.7635 37.3164 176.0038 98 G 4.0183 9.6084 108.8128 45.4949 0.0000 172.4110 99 Y 5.1911 8.1655 116.5178 56.1794 41.6944 175.0161 100 I 4.3780 8.9968 126.2128 60.4935 38.5623 176.0276 101 S 4.8662 9.0752 122.5049 57.1400 64.9801 175.4553 102 A 3.9820 8.6534 121.4377 55.1392 17.9892 179.6456 103 A 3.9517 7.9535 118.7919 55.4009 18.4559 179.5827 104 E 3.8922 8.3231 117.0428 59.3748 29.3351 179.1943 105 L 4.0444 7.7059 119.0655 58.3631 42.2232 178.7583 106 R 4.0502 7.9269 117.1527 59.6420 30.3417 177.6378 107 H 4.3184 8.5167 118.2772 59.1002 29.9534 177.6760 108 V 3.5768 8.0473 116.4579 64.2043 30.9668 177.4218 *110 T 4.3577 7.7817 115.0945 63.4116 70.0900 176.1507 111 N 4.3202 7.9491 116.7884 55.8574 38.5431 176.0937 112 L 4.0776 7.4568 115.7601 54.7698 41.9899 177.4928 113 G 3.8661 7.8923 106.5041 44.9811 0.0000 173.5574 114 E 4.2858 7.7486 120.2816 54.3281 29.1252 174.9383 115 K 4.2699 8.4083 126.4529 55.4998 32.3880 176.7900 116 L 4.9242 8.2859 123.6961 53.0590 44.6263 176.6929 117 T 4.4922 8.6627 111.6958 60.6270 71.7743 175.6423 118 D 4.3389 8.5128 121.2550 57.4084 40.7698 178.6806 119 E 3.9095 8.1391 119.2753 59.5256 29.4899 178.6972 120 E 3.9764 7.8107 116.6475 59.2594 29.5656 179.2622 121 V 3.7300 7.7764 117.4749 66.1617 31.9587 177.4085 122 D 4.5632 8.4616 119.0635 57.2002 40.7594 179.0154 123 E 4.2161 8.0279 118.5874 56.4729 29.6395 178.6530 *125 I 4.1086 7.7529 119.3533 60.9706 39.1674 178.2103 126 R 3.9171 7.9737 117.8270 59.2344 30.1306 177.5938 127 E 3.9802 8.0722 117.2613 58.4884 29.5353 177.2017 128 A 4.5884 7.7423 117.3359 51.8060 20.3606 176.4241 129 D 4.6715 8.0093 116.1330 53.2926 39.6047 175.8460 130 I 3.8706 8.2527 125.4565 63.9218 37.4501 177.1358 131 D 4.5157 8.4302 116.5516 53.0258 39.5513 176.8894 132 G 3.9200 7.9664 107.7745 46.6367 0.0000 174.1681 133 D 4.4804 8.2355 117.1752 53.1322 39.5062 177.1248 134 G 3.9382 8.9419 107.8699 46.2060 0.0000 173.1913 135 Q 4.7871 8.5434 116.7831 53.9928 33.5648 174.9570 136 V 4.6855 8.7197 121.2398 61.3948 33.4889 175.1385 137 N 5.1776 9.6330 127.0694 51.3763 39.1868 175.6990 138 Y 3.3225 8.3200 118.6117 60.5289 38.6113 177.3443 139 E 3.6374 8.0162 119.6786 59.3259 29.5412 178.5574 140 E 3.9782 8.9166 117.8709 59.1148 29.5569 178.8125 141 F 4.3291 8.0887 119.9872 61.4213 39.6376 176.9950 142 V 3.5537 7.6445 116.8209 65.3351 32.6274 177.1780 143 Q 4.1968 7.5491 119.3302 56.2885 24.7064 176.0308 *146 T 3.9668 7.4608 107.4467 61.4688 70.9093 174.7460 147 A 4.0796 8.2167 130.1384 53.7257 18.7555 177.4485 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 8.33 4.31 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 4 L 7.82 3.89 0.00 1.89 1.75 0.95 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.51 4.30 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 1.28 0.00 0.00 6 E 8.54 3.95 0.00 2.08 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 2.40 2.39 0.00 7 E 8.27 3.98 0.00 2.14 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 2.39 2.50 0.00 8 Q 8.11 4.22 0.00 2.45 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.55 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 9 I 7.96 3.95 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.04 0.99 0.00 0.00 10 A 8.64 4.09 1.43 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 11 E 8.13 3.95 0.00 2.20 1.93 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 2.35 2.70 0.00 12 F 8.51 4.27 0.00 3.32 3.31 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 0.00 0.00 0.00 13 K 8.89 4.49 0.00 2.09 2.09 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.41 7.81 14 E 8.70 4.02 0.00 2.28 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 2.38 2.45 0.00 15 A 8.54 4.14 1.71 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 0.00 0.00 16 F 8.63 3.35 0.00 3.01 3.43 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 17 S 8.13 4.38 0.00 4.12 4.11 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 18 L 7.61 4.12 0.00 1.66 1.52 0.89 0.68 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 19 F 7.45 4.07 0.00 2.83 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 20 D 7.98 4.62 0.00 1.94 2.28 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 21 K 7.78 3.77 0.00 1.74 1.85 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.36 7.81 22 D 8.07 4.45 0.00 2.74 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 23 G 7.88 4.51 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 0.00 0.00 0.00 24 D 8.51 4.78 0.00 2.79 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 25 G 9.24 4.16 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 0.00 0.00 0.00 26 T 7.62 5.13 4.33 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 1.35 0.00 0.00 27 I 8.71 4.66 1.84 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.53 0.89 0.00 0.00 28 T 8.66 4.69 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 29 T 8.50 4.15 4.42 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 1.25 0.00 0.00 30 K 7.90 3.96 0.00 1.83 1.80 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.53 7.81 31 E 8.23 4.00 0.00 2.24 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 2.32 2.31 0.00 32 L 8.01 4.37 0.00 1.87 1.92 0.89 0.96 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 33 G 7.91 3.76 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 0.00 0.00 0.00 34 T 8.06 4.07 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 1.16 0.00 0.00 35 V 7.30 3.35 1.75 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 0.29 0.00 0.00 0.35 0.00 0.00 *37 R 8.21 5.09 0.00 2.17 1.97 0.00 3.51 0.00 0.00 3.44 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 38 S 7.95 4.20 0.00 3.93 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 39 L 7.57 4.33 0.00 1.94 1.64 0.79 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.75 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 41 Q 7.74 4.71 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 42 N 8.13 5.30 0.00 2.59 2.66 0.00 0.00 7.04 7.69 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 43 P 0.00 5.29 0.00 2.24 2.05 0.00 3.51 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 44 T 8.34 4.44 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 45 E 8.79 3.89 0.00 2.10 2.02 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 2.39 2.47 0.00 46 A 7.98 3.98 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 47 E 8.46 3.91 0.00 2.13 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 2.34 2.37 0.00 48 L 8.14 4.02 0.00 1.76 1.75 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.47 4.16 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.15 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 50 D 8.22 4.72 0.00 2.88 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 *52 I 7.79 4.11 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.85 1.00 0.00 0.00 53 N 8.35 4.29 0.00 2.92 2.88 0.00 0.00 7.05 8.49 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 54 E 7.79 4.08 0.00 1.91 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 0.00 2.33 2.48 0.00 55 V 7.05 4.42 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 0.62 0.00 0.00 0.99 0.00 0.00 56 D 8.30 4.89 0.00 2.94 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 3.97 1.31 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 0.00 0.00 0.00 0.00 0.00 58 D 8.51 4.63 0.00 2.83 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 59 G 7.63 4.10 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 0.00 0.00 0.00 60 N 8.24 4.58 0.00 2.86 2.94 0.00 0.00 6.89 7.76 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 61 G 9.87 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 62 T 7.46 4.78 4.28 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 1.23 0.00 0.00 63 I 8.51 5.37 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.41 1.08 0.00 0.00 64 D 8.68 5.19 0.00 2.87 2.92 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 65 F 8.89 3.24 0.00 2.71 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 66 P 0.00 4.23 0.00 2.30 2.33 0.00 3.84 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.09 0.00 67 E 8.60 3.97 0.00 2.24 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 2.38 2.57 0.00 68 F 7.82 4.07 0.00 3.20 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 80 D 8.62 4.50 0.00 2.90 2.86 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 81 S 9.03 4.48 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 82 E 8.35 3.98 0.00 2.14 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 2.43 2.54 0.00 83 E 8.23 4.02 0.00 2.39 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 2.51 0.00 84 E 8.17 4.07 0.00 2.23 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 2.44 2.68 0.00 85 I 8.33 3.96 2.18 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 1.47 0.83 1.18 0.00 0.00 86 R 8.32 4.08 0.00 2.17 2.13 0.00 3.06 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.28 0.00 87 E 8.16 3.90 0.00 2.30 2.24 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 2.34 2.38 0.00 88 A 8.63 4.17 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 0.00 0.00 0.00 0.00 0.00 89 F 8.63 3.35 0.00 2.71 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 90 R 7.86 3.86 0.00 1.98 1.93 0.00 3.20 0.00 0.00 3.12 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 91 V 7.19 3.57 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 0.47 0.00 0.00 0.83 0.00 0.00 92 F 7.50 4.32 0.00 2.82 2.82 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 0.00 0.00 0.00 0.00 93 D 7.77 4.43 0.00 1.82 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 0.00 0.00 0.00 94 K 7.80 3.75 0.00 1.72 1.82 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.41 7.81 95 D 8.35 4.50 0.00 2.77 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 96 G 7.97 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 97 N 8.65 4.58 0.00 2.98 3.00 0.00 0.00 7.01 6.28 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 98 G 9.61 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 99 Y 8.17 5.19 0.00 2.94 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 0.00 100 I 9.00 4.38 1.86 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.26 0.81 0.00 0.00 101 S 9.08 4.87 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 8.65 3.98 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 0.00 103 A 7.95 3.95 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 0.00 104 E 8.32 3.89 0.00 2.17 2.24 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 2.30 2.30 0.00 105 L 7.71 4.04 0.00 1.58 1.86 0.83 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 106 R 7.93 4.05 0.00 1.87 1.97 0.00 3.44 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 107 H 8.52 4.32 0.00 3.31 3.44 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.05 3.58 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 0.77 0.00 0.00 1.09 0.00 0.00 *110 T 7.78 4.36 4.39 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 1.16 0.00 0.00 111 N 7.95 4.32 0.00 2.77 2.80 0.00 0.00 7.13 7.13 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 0.00 112 L 7.46 4.08 0.00 1.70 1.62 0.79 0.70 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 0.00 113 G 7.89 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 0.00 0.00 0.00 114 E 7.75 4.29 0.00 1.92 1.92 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 2.24 2.39 0.00 115 K 8.41 4.27 0.00 1.78 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.44 7.81 116 L 8.29 4.92 0.00 1.61 1.56 0.94 0.98 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 0.00 117 T 8.66 4.49 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 0.00 118 D 8.51 4.34 0.00 2.79 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 0.00 119 E 8.14 3.91 0.00 2.07 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 0.00 2.38 2.47 0.00 120 E 7.81 3.98 0.00 2.13 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 2.35 2.32 0.00 121 V 7.78 3.73 2.22 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 0.89 0.00 0.00 1.01 0.00 0.00 122 D 8.46 4.56 0.00 2.88 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 0.00 123 E 8.03 4.22 0.00 2.18 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 2.31 2.35 0.00 *125 I 7.75 4.11 2.03 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 1.63 0.72 0.97 0.00 0.00 126 R 7.97 3.92 0.00 2.03 2.01 0.00 3.18 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 127 E 8.07 3.98 0.00 1.95 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 0.00 2.31 2.26 0.00 128 A 7.74 4.59 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 0.00 129 D 8.01 4.67 0.00 2.79 2.64 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 0.00 130 I 8.25 3.87 1.89 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 1.67 0.92 0.92 0.00 0.00 131 D 8.43 4.52 0.00 2.81 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 7.97 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 0.00 0.00 0.00 133 D 8.24 4.48 0.00 2.75 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 0.00 134 G 8.94 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 0.00 135 Q 8.54 4.79 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 136 V 8.72 4.69 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 1.30 0.00 0.00 1.00 0.00 0.00 137 N 9.63 5.18 0.00 2.51 2.87 0.00 0.00 6.46 7.44 0.00 0.00 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 8.32 3.32 0.00 2.08 2.65 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 0.00 139 E 8.02 3.64 0.00 1.98 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 0.00 2.29 2.29 0.00 140 E 8.92 3.98 0.00 2.16 2.26 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 2.37 2.49 0.00 141 F 8.09 4.33 0.00 3.32 3.24 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 0.00 142 V 7.64 3.55 1.85 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 0.68 0.00 0.00 0.08 0.00 0.00 143 Q 7.55 4.20 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 *146 T 7.46 3.97 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 1.16 0.00 0.00 147 A 8.22 4.08 1.25 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.