NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5082 8.1633 118.3339 55.2469 33.4138 173.5584 2 I 4.6499 8.2401 120.8475 59.4793 39.0385 173.7988 3 R 4.6224 9.7806 127.6577 55.0737 33.1433 175.0807 4 T 5.0155 8.3805 118.7234 62.5559 69.8561 174.0461 5 M 5.0516 9.2161 126.2049 52.8349 36.2050 174.9619 6 L 3.2859 8.8069 124.2466 55.8081 41.8965 176.3739 7 Q 4.5246 9.0663 128.7715 58.5131 30.4105 175.3912 8 G 4.1840 7.4533 102.8542 46.6434 0.0000 172.0507 9 K 5.0272 8.6574 121.1106 54.8681 36.3430 174.6226 10 L 4.9027 9.0729 128.1172 53.7059 43.1650 175.0835 11 H 4.7529 9.3464 126.1917 54.5477 30.8877 175.1489 12 R 3.8715 8.1724 126.6615 57.2762 26.8950 176.5040 13 V 3.9619 7.5099 113.8846 61.2788 33.9413 177.7298 14 K 5.0091 9.1879 126.7438 53.3754 33.7238 177.5645 15 V 3.9711 8.8345 126.2560 62.7003 31.9023 176.3772 16 T 4.5449 8.9998 118.1151 62.5004 70.3824 174.2023 17 H 4.8750 7.9704 120.9356 55.1661 33.5915 172.5210 18 A 5.3066 8.2004 126.9249 51.1974 21.0256 174.4711 19 D 4.6135 9.0214 121.6749 53.3171 43.2608 176.5527 20 L 3.9660 8.6605 128.2712 58.7178 42.3145 177.7170 21 H 4.4040 8.0801 116.4270 59.6062 29.2942 177.1706 *22 Y 4.0906 8.2658 116.8743 59.2983 37.0649 178.1011 23 E 4.8191 7.7314 117.4944 54.4514 31.8582 175.9264 24 G 3.9520 8.4982 107.6864 46.6384 0.0000 173.5383 25 T 4.2944 7.6403 115.7531 61.9718 69.8308 175.1537 26 C 4.5671 8.4055 123.4963 60.0871 29.6224 172.5131 27 A 5.2116 9.0170 123.5200 50.4149 22.7099 175.0843 28 I 4.9632 8.4968 121.0427 59.1230 41.8919 174.1948 29 D 4.3255 8.4821 125.6143 54.9280 41.2407 177.4246 30 Q 3.9778 8.7909 126.8664 59.5684 28.9514 178.3498 31 D 4.3981 8.5158 120.0745 57.3137 40.7989 178.8698 32 F 4.5929 8.1186 118.2872 60.6279 39.1148 177.5305 33 L 4.0310 8.1179 118.1662 58.2012 40.9285 179.2314 34 D 4.4021 8.4948 118.5624 57.4294 40.5298 178.8304 35 A 4.0623 8.0428 120.0887 54.5436 18.8363 178.6507 36 A 4.5171 8.2579 117.4887 51.6296 19.0191 178.7485 37 G 4.0082 7.3497 103.5141 45.9394 0.0000 173.9321 38 I 4.2384 7.4966 120.1850 60.5889 38.0518 175.5527 39 L 4.6418 8.9491 125.0076 52.5798 43.3682 175.8471 40 E 4.2382 8.5468 122.0326 58.2638 29.7920 177.0133 41 N 4.5630 9.4767 122.0518 53.3868 37.1818 173.9701 42 E 4.3546 8.0519 120.4119 55.3126 31.0815 175.7654 43 A 4.5883 8.7207 128.1926 52.5684 19.0376 176.7410 44 I 4.8078 8.9305 115.1180 59.1980 41.6821 173.8369 45 D 5.0767 8.8216 123.7351 52.7306 43.3229 175.3651 46 I 4.3619 8.0381 123.8258 58.9967 40.1277 174.4821 47 W 5.2525 8.8093 127.4084 54.9676 31.8203 174.5277 48 N 4.9471 9.4440 126.1048 52.4908 38.5942 175.7882 49 V 3.6289 8.7544 128.3778 66.5049 31.7980 177.8407 50 T 4.0633 8.3928 116.6054 66.0919 68.3735 174.7503 51 N 4.8192 8.4896 114.4805 51.8936 38.0870 175.5235 52 G 4.0183 8.5781 107.6569 45.4754 0.0000 174.3035 53 K 4.3844 8.4554 120.0305 56.6069 33.4338 176.3416 54 R 5.5152 8.6344 121.5723 54.6800 33.6642 174.4192 55 F 5.1479 9.1031 117.7030 55.9358 42.0710 173.0807 56 S 5.1447 8.7417 114.5361 57.4984 65.6948 174.1909 57 T 4.6629 8.6765 118.0444 61.8621 71.0648 171.4111 58 Y 5.6078 8.5922 116.5744 54.9807 41.7174 174.1493 59 A 4.9621 8.6767 120.6025 50.1040 23.3188 174.7722 60 I 4.8366 8.3213 111.9974 58.6470 41.3162 174.4635 61 A 4.7532 8.6982 124.1464 51.7851 19.1436 177.3572 62 A 4.4611 8.7183 124.6552 50.1383 21.6412 176.1401 63 E 4.1447 8.5439 119.8377 56.3178 30.7302 176.6859 64 R 4.1622 8.5183 125.5337 58.0740 30.5067 177.2262 65 G 3.9888 8.5721 110.9423 45.3710 0.0000 174.6526 66 S 4.0978 7.6725 113.8362 59.2532 63.2443 175.0153 67 R 3.7412 8.3005 118.3672 56.9389 28.1683 175.8967 68 I 4.0193 7.1516 119.1231 61.3062 38.6327 175.4302 69 I 4.8755 8.6804 126.6990 59.7459 40.2292 173.9852 70 S 5.1180 9.2125 123.3903 56.3601 64.7930 172.9012 71 V 4.5254 8.9856 128.2099 61.5211 32.8486 173.6658 72 N 5.1379 8.2597 125.1026 51.4859 42.9037 174.9043 73 G 4.0111 8.5618 106.5270 46.2229 0.0000 175.7103 74 A 3.9719 8.6304 120.8687 55.2200 18.5696 179.5878 75 A 3.6666 7.4430 116.2629 54.3704 18.4729 178.5948 76 A 4.0639 7.6743 118.2072 54.9500 18.4360 178.5481 77 H 4.2785 7.7926 112.4820 55.9718 28.1812 175.2625 *79 A 4.3423 7.7956 120.7158 52.2400 19.7141 176.9462 80 S 4.7845 8.6830 115.1177 55.9180 66.4648 174.3070 81 V 3.9103 8.2194 121.9009 65.0049 31.4498 176.3978 82 G 4.0427 9.0911 116.2050 45.1658 0.0000 173.5823 83 D 4.5569 8.0263 120.0444 54.5798 42.2467 175.4298 84 I 4.7773 8.6940 123.5020 60.3588 39.1235 175.4145 85 V 5.0651 8.9914 119.5318 59.6274 36.4298 174.3466 86 I 4.9510 8.8214 122.7094 59.6413 40.4058 174.8144 87 I 4.6371 8.3675 126.6881 59.3124 40.0588 174.5369 88 A 5.0487 8.5552 128.2451 49.9525 22.7369 174.7766 89 S 5.0782 8.5910 113.7422 56.5193 66.8022 172.9405 90 F 5.3212 8.8200 118.3539 55.9339 42.4960 174.5974 91 V 4.7010 8.9229 114.8105 59.7755 35.8242 174.5060 92 T 5.5895 8.3010 111.5721 59.9392 71.2754 173.0830 93 M 4.5744 7.9675 118.1647 53.8472 34.4973 172.3114 94 P 4.7516 0.0000 0.0000 62.4075 32.6356 176.9795 95 D 4.3650 8.8401 120.6564 57.9181 40.7459 178.7969 96 E 3.9750 8.1100 117.8076 59.4258 30.0622 178.1708 97 E 4.1985 8.1576 117.8641 59.1303 29.7997 178.7714 98 A 4.1593 8.1630 120.8562 55.2002 18.1572 179.8445 99 R 4.1013 7.9470 115.6177 58.4326 30.1326 177.5910 100 T 4.5447 7.4747 105.9350 60.5800 69.4278 174.2010 101 W 4.3811 7.9602 132.0782 57.8593 31.2042 175.2970 102 R 4.1508 6.4999 123.1789 53.2326 31.7802 173.8937 103 P 4.5793 0.0000 0.0000 62.7374 32.9301 175.6839 104 N 4.6875 9.0103 118.6144 51.9907 39.8011 174.2178 105 V 4.6039 8.2518 123.9402 60.7595 33.7170 174.4188 106 A 4.6070 8.6211 129.5260 50.2520 21.6742 174.4860 107 Y 5.0032 8.1834 119.1290 56.3452 40.8103 174.8522 108 F 5.4042 8.7224 120.3491 55.8355 43.2599 173.7358 109 E 4.6842 8.9558 118.3644 54.1947 33.3950 176.8724 110 G 3.6459 8.7814 108.9971 47.3986 0.0000 176.5146 111 D 4.5703 8.6554 117.0273 53.8112 39.6128 175.4308 112 N 4.1804 7.8530 117.3729 53.9779 36.9784 175.0579 113 E 4.4697 8.3673 117.9032 55.2804 30.2591 176.2734 114 M 3.8338 8.5197 124.4935 54.9431 33.0561 176.0429 115 K 4.1100 8.3052 124.4656 56.7135 32.2470 176.7114 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 M 8.16 4.51 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 2 I 8.24 4.65 1.86 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 1.33 0.23 0.93 0.00 0.00 3 R 9.78 4.62 0.00 1.69 1.84 0.00 3.29 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 1.57 1.75 0.00 4 T 8.38 5.02 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 5 M 9.22 5.05 0.00 1.92 1.65 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 6 L 8.81 3.29 0.00 1.55 1.63 0.45 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 9.07 4.52 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.47 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 8 G 7.45 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 0.00 0.00 0.00 0.00 9 K 8.66 5.03 0.00 1.69 1.48 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.35 7.81 10 L 9.07 4.90 0.00 1.45 1.36 0.91 1.02 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 11 H 9.35 4.75 0.00 2.99 3.19 0.00 5.72 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.17 3.87 0.00 1.93 1.95 0.00 3.24 0.00 0.00 3.13 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.26 0.00 13 V 7.51 3.96 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 -0.69 0.00 0.00 0.76 0.00 0.00 14 K 9.19 5.01 0.00 1.49 1.57 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.30 1.23 7.81 15 V 8.83 3.97 2.25 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 1.01 0.00 0.00 0.99 0.00 0.00 16 T 9.00 4.54 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 1.35 0.00 0.00 17 H 7.97 4.88 0.00 3.15 3.11 0.00 5.67 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 18 A 8.20 5.31 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 0.00 0.00 19 D 9.02 4.61 0.00 2.60 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 20 L 8.66 3.97 0.00 1.42 1.39 0.81 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 21 H 8.08 4.40 0.00 3.15 3.29 0.00 5.95 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 *22 Y 8.27 4.09 0.00 2.33 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 0.00 0.00 0.00 23 E 7.73 4.82 0.00 2.00 1.89 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 2.26 2.24 0.00 24 G 8.50 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 0.00 0.00 0.00 25 T 7.64 4.29 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 1.01 0.00 0.00 26 C 8.41 4.57 0.00 2.91 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 27 A 9.02 5.21 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 28 I 8.50 4.96 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.73 1.00 0.00 0.00 29 D 8.48 4.33 0.00 2.14 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 30 Q 8.79 3.98 0.00 2.28 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 31 D 8.52 4.40 0.00 2.82 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 32 F 8.12 4.59 0.00 3.13 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 33 L 8.12 4.03 0.00 1.88 2.00 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.49 4.40 0.00 2.90 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 35 A 8.04 4.06 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 36 A 8.26 4.52 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 37 G 7.35 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 38 I 7.50 4.24 1.88 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 1.27 0.72 0.95 0.00 0.00 39 L 8.95 4.64 0.00 1.69 1.58 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.55 4.24 0.00 1.95 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 2.34 2.42 0.00 41 N 9.48 4.56 0.00 2.89 2.91 0.00 0.00 6.98 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 42 E 8.05 4.35 0.00 2.14 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 2.33 2.28 0.00 43 A 8.72 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 44 I 8.93 4.81 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 1.21 0.84 0.87 0.00 0.00 45 D 8.82 5.08 0.00 2.06 2.37 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 46 I 8.04 4.36 0.56 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.28 0.70 0.00 0.00 47 W 8.81 5.25 0.00 3.31 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 48 N 9.44 4.95 0.00 2.92 3.11 0.00 0.00 6.43 7.34 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 49 V 8.75 3.63 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 0.83 0.00 0.00 1.00 0.00 0.00 50 T 8.39 4.06 4.44 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 0.00 0.00 0.00 1.28 0.00 0.00 51 N 8.49 4.82 0.00 2.81 2.90 0.00 0.00 7.16 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 52 G 8.58 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 53 K 8.46 4.38 0.00 1.96 1.90 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.57 7.81 54 R 8.63 5.52 0.00 1.78 2.07 0.00 3.13 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 55 F 9.10 5.15 0.00 3.07 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 56 S 8.74 5.14 0.00 3.81 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 57 T 8.68 4.66 4.46 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 1.21 0.00 0.00 58 Y 8.59 5.61 0.00 3.09 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 59 A 8.68 4.96 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 0.00 0.00 60 I 8.32 4.84 2.10 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 1.31 0.87 1.04 0.00 0.00 61 A 8.70 4.75 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 62 A 8.72 4.46 1.15 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 0.00 0.00 63 E 8.54 4.14 0.00 2.02 1.79 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 2.34 2.33 0.00 64 R 8.52 4.16 0.00 1.80 1.84 0.00 3.27 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 65 G 8.57 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 66 S 7.67 4.10 0.00 3.95 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 67 R 8.30 3.74 0.00 2.02 2.30 0.00 3.55 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 68 I 7.15 4.02 1.78 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 1.19 0.93 0.89 0.00 0.00 69 I 8.68 4.88 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.92 0.89 0.00 0.00 70 S 9.21 5.12 0.00 3.84 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 71 V 8.99 4.53 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 1.00 0.00 0.00 72 N 8.26 5.14 0.00 2.52 2.85 0.00 0.00 6.94 7.93 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 73 G 8.56 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 74 A 8.63 3.97 1.30 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 0.00 0.00 0.00 75 A 7.44 3.67 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 76 A 7.67 4.06 1.21 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 0.00 0.00 0.00 0.00 0.00 77 H 7.79 4.28 0.00 3.19 3.24 0.00 5.69 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 *79 A 7.80 4.34 1.35 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 0.00 0.00 80 S 8.68 4.78 0.00 3.85 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 81 V 8.22 3.91 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 0.78 0.00 0.00 0.98 0.00 0.00 82 G 9.09 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 83 D 8.03 4.56 0.00 2.74 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 84 I 8.69 4.78 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 1.24 0.94 0.95 0.00 0.00 85 V 8.99 5.07 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 0.95 0.00 0.00 0.92 0.00 0.00 86 I 8.82 4.95 2.14 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.93 1.07 0.00 0.00 87 I 8.37 4.64 1.71 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 0.95 0.50 0.74 0.00 0.00 88 A 8.56 5.05 0.58 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 0.00 0.00 89 S 8.59 5.08 0.00 4.07 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 90 F 8.82 5.32 0.00 2.89 2.99 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 91 V 8.92 4.70 1.89 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 0.67 0.00 0.00 0.59 0.00 0.00 92 T 8.30 5.59 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 1.20 0.00 0.00 93 M 7.97 4.57 0.00 1.83 2.03 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 94 P 0.00 4.75 0.00 2.44 2.00 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 95 D 8.84 4.37 0.00 2.90 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 96 E 8.11 3.97 0.00 2.01 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 2.36 0.00 97 E 8.16 4.20 0.00 2.24 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 2.42 2.47 0.00 98 A 8.16 4.16 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 99 R 7.95 4.10 0.00 1.87 2.05 0.00 3.14 0.00 0.00 3.30 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 100 T 7.47 4.54 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 1.25 0.00 0.00 101 W 7.96 4.38 0.00 3.41 3.21 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 0.00 0.00 0.00 102 R 6.50 4.15 0.00 1.27 1.46 0.00 3.16 0.00 0.00 3.11 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.51 0.00 103 P 0.00 4.58 0.00 2.03 2.28 0.00 3.55 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.98 0.00 104 N 9.01 4.69 0.00 2.74 2.94 0.00 0.00 6.85 8.09 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 0.00 105 V 8.25 4.60 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 0.11 0.00 0.00 0.84 0.00 0.00 106 A 8.62 4.61 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 0.00 107 Y 8.18 5.00 0.00 2.81 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 0.00 108 F 8.72 5.40 0.00 3.02 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 0.00 109 E 8.96 4.68 0.00 2.02 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 2.30 2.28 0.00 110 G 8.78 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 0.00 0.00 0.00 111 D 8.66 4.57 0.00 2.66 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 0.00 112 N 7.85 4.18 0.00 3.05 3.03 0.00 0.00 7.23 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 0.00 113 E 8.37 4.47 0.00 2.18 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 2.37 2.43 0.00 114 M 8.52 3.83 0.00 1.83 1.69 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 2.13 0.00 115 K 8.31 4.11 0.00 1.73 1.64 0.00 1.73 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.34 7.81 * Residues marked with a * may have inaccurate shift predictions.