NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2649 8.3344 116.7808 56.8565 64.0084 174.8004 3 E 3.1471 9.3229 130.3600 57.4364 30.0754 172.0967 4 H 4.8526 7.8067 111.8289 55.0035 31.0933 173.9368 5 E 4.0283 8.1833 120.3004 57.1878 30.3234 175.9147 6 R 5.2766 8.5070 123.1329 54.7947 34.0027 174.6180 7 T 4.7386 8.5727 115.2061 60.4316 71.6279 172.1808 8 F 4.9658 8.8587 130.0455 57.3280 41.1590 174.6392 9 V 4.7571 7.8736 125.1010 61.2837 35.4346 173.7601 10 M 5.0621 8.5632 123.3445 53.4862 35.2502 174.1898 11 V 4.2187 8.7746 122.4569 62.5677 32.7022 175.8757 12 K 4.5642 9.0296 128.1443 55.4752 33.1230 176.6836 13 P 4.5960 0.0000 0.0000 64.9046 30.9257 178.8564 14 D 4.5505 8.3395 117.9712 56.6942 39.6500 178.6317 15 G 3.7232 8.2636 107.6051 47.1222 0.0000 175.5572 16 V 3.6929 8.0719 120.3731 66.0107 31.4037 178.1427 17 Q 4.1007 8.0910 116.6027 58.9652 28.6819 178.3021 18 R 4.3142 8.0582 115.8500 55.5251 30.9376 176.1931 19 G 3.7044 7.8732 105.6957 47.2899 0.0000 174.4355 20 L 4.6462 7.5963 114.9542 54.1749 43.2259 179.3672 21 I 3.8166 7.8629 121.8115 64.6303 37.0487 177.8742 22 G 3.6222 8.0512 105.9112 48.0259 0.0000 174.8414 23 D 4.5432 8.0554 121.2086 56.9143 40.6245 179.5673 24 I 3.5745 7.3215 120.0446 64.0163 37.2361 178.4886 25 V 4.0127 8.0367 119.2021 66.0693 31.3808 177.9381 26 S 4.1535 8.6465 115.2659 62.0484 62.6345 176.7401 27 R 3.8107 7.5382 119.9299 59.5640 29.6152 179.1734 28 F 4.1389 7.2979 116.9968 60.2866 38.6955 177.6992 29 E 4.2103 8.5247 118.4525 59.6894 29.1331 178.8356 30 D 4.4247 8.3817 117.8059 57.8547 41.0665 179.3557 31 R 4.0334 7.4760 116.9523 57.6757 30.1652 177.3955 32 G 3.9985 8.2254 106.6172 44.6459 0.0000 173.6635 33 L 4.4193 7.2699 119.6677 55.0363 42.6856 176.4411 34 K 4.7766 8.9997 123.5771 54.7759 34.5835 174.6824 35 M 3.5787 8.7735 127.8787 55.3310 32.4921 175.8500 36 V 4.5962 8.7996 118.2500 60.9381 34.4112 175.4385 37 G 3.9662 7.2414 107.3650 44.7343 0.0000 172.6402 38 G 4.1435 8.5073 106.9096 45.2559 0.0000 173.1628 39 K 4.6119 8.7152 129.4731 54.8895 35.2851 174.7878 40 F 5.2498 9.2497 131.6486 58.3265 40.0081 174.1172 41 M 4.7323 8.4312 122.6352 54.2255 35.3967 173.2210 42 Q 4.7047 8.2211 120.1364 53.8901 30.9648 175.1837 43 I 3.6309 8.3987 128.3226 61.5467 37.7110 176.5386 44 D 4.6318 8.3597 125.4502 52.2979 41.7553 177.0095 45 Q 3.9342 8.5402 120.4225 59.3704 28.9184 178.1510 46 E 3.9147 8.1367 117.8145 59.5494 29.3822 178.4452 47 L 3.7187 8.3368 121.9511 57.5914 42.0511 178.7325 48 A 3.9828 8.0489 120.4352 55.3856 18.0319 179.4170 49 E 4.2530 8.3154 116.2846 59.0396 29.8347 178.8273 50 E 4.0666 8.3132 119.5924 59.6628 29.5780 178.0540 51 H 4.0071 8.1087 117.5709 59.2095 30.0123 175.2008 52 Y 4.9026 7.8989 114.7400 57.7211 38.1076 177.5526 53 G 3.9099 8.5015 113.8189 48.7688 0.0000 176.2854 54 E 4.0100 8.2402 116.3929 58.7094 30.0014 177.1617 55 H 4.9013 8.4820 116.6706 55.3268 29.0642 176.3447 56 E 2.0000 7.5999 120.2191 58.5246 29.1985 177.4579 57 D 4.5916 7.6373 116.8184 53.6759 41.1992 175.7075 58 K 4.4381 7.3828 119.4712 53.6648 34.2608 175.3591 59 P 4.1601 0.0000 0.0000 66.0882 31.4247 178.1104 60 F 4.5556 7.5247 110.7393 57.4129 37.9762 176.5188 61 F 4.0680 7.8100 122.8793 62.1058 39.1015 176.7768 62 D 4.3440 8.2809 117.7891 56.9864 40.5858 178.9349 63 G 3.5754 8.0194 106.0462 47.5976 0.0000 175.2051 64 L 3.9156 7.7805 123.0954 57.8334 42.1200 179.3030 65 V 3.5890 7.4236 117.9243 66.0400 31.2390 177.5791 66 D 4.3634 8.0144 117.4667 57.3723 41.0329 178.3996 67 F 4.4476 8.3641 120.9280 61.5162 39.3058 177.0800 68 I 3.4072 7.8138 116.5711 63.1363 37.6323 176.7529 69 T 4.3611 7.6114 108.8239 61.8555 69.0495 176.1676 70 S 4.1510 7.8457 117.1471 59.6823 63.3892 173.5828 71 G 4.0291 6.6127 109.4666 43.6533 0.0000 171.2483 72 P 4.3690 0.0000 0.0000 62.9852 32.5736 175.6558 73 V 4.5723 8.4578 114.3563 59.5899 35.9256 174.4887 74 F 5.1563 8.8318 123.4291 56.6990 41.2767 173.6366 75 A 4.6922 8.5409 128.8901 51.2464 20.6189 175.7958 76 M 5.0722 9.0354 119.9482 53.5947 37.3494 174.3525 77 V 4.8200 8.1133 120.0213 60.9335 35.0394 174.3276 78 W 5.2550 8.9082 126.6487 54.7552 33.0017 173.8752 79 E 5.5208 8.5992 124.3361 53.5671 31.8914 175.0425 80 G 4.2973 8.4574 112.3420 45.4820 0.0000 172.3607 81 Q 3.9907 9.2019 122.2235 57.1735 29.7216 175.9688 82 D 4.3294 8.6404 125.1966 54.4839 40.8000 175.4309 83 A 4.0391 8.1874 120.3241 55.5180 18.5605 179.6411 84 T 3.9566 7.8426 115.4456 66.2954 68.4994 177.1358 85 R 3.6835 7.8547 120.1480 59.3176 30.1283 178.3184 86 Q 3.9699 8.1409 117.9196 59.0295 28.8660 179.0013 87 V 3.6853 8.1820 119.6274 66.1591 31.4280 178.3368 88 R 4.0707 8.0674 117.5803 59.1508 29.6241 179.2286 89 T 3.9807 8.0477 115.5470 66.9947 68.7149 176.3425 90 M 4.1913 8.2676 120.5867 58.5755 31.7991 178.8224 91 M 4.1126 7.9937 118.7935 60.3926 32.4508 174.1841 92 G 3.9107 7.3863 102.0208 44.3797 0.0000 172.9056 93 E 4.4340 8.2284 121.7432 55.3621 30.8733 176.8518 94 T 3.9512 8.4731 116.3880 66.9728 68.7490 174.5884 95 D 4.4536 7.9193 121.0974 53.4431 41.7885 175.2859 96 P 4.3187 0.0000 0.0000 65.0986 31.6216 177.8730 97 A 4.2187 7.9944 119.2874 53.6015 18.2521 177.5429 98 E 4.6028 7.9119 113.7581 55.8302 30.6871 176.1714 99 S 4.6000 7.6890 115.3608 57.0625 64.6514 173.7755 100 A 4.3642 8.1538 125.9949 50.5285 19.4843 175.4704 101 P 4.5200 0.0000 0.0000 63.8155 32.0917 175.4353 102 G 4.2072 9.8876 116.6690 46.6559 0.0000 175.5058 103 T 4.1902 7.7283 111.7029 60.9603 70.6511 175.0258 104 I 3.8127 8.4531 124.4531 65.0466 37.2101 179.1615 105 R 4.1776 8.4621 119.0902 59.0820 29.7467 179.3083 106 G 3.5907 8.0754 104.5613 47.2154 0.0000 174.6327 107 D 4.4653 7.7017 119.2213 54.9824 41.5306 176.7379 108 Y 4.8123 7.7841 113.7640 57.2474 40.0725 175.2667 109 G 4.3982 8.2056 107.3145 43.6503 0.0000 172.4770 110 L 4.5619 8.4168 115.5929 54.8438 45.2010 176.8358 111 D 4.8839 7.7055 117.4040 51.7637 43.3322 176.0150 112 L 3.8123 8.8277 128.5714 58.3699 42.1657 178.4813 113 G 3.5353 7.9169 105.7010 47.3715 0.0000 174.1680 114 R 4.3170 7.6085 119.7622 54.6974 29.2685 175.3112 115 N 4.8092 7.9003 113.2801 52.2529 38.5058 179.1582 116 V 4.0676 8.7370 122.5659 63.1703 32.5203 171.6280 117 I 5.0400 8.1023 118.1511 59.8012 41.2473 173.5302 118 H 5.1211 9.5800 127.6235 54.5791 33.0857 172.6680 119 G 4.3138 7.9537 109.4553 44.4508 0.0000 172.7109 120 S 4.5775 8.5744 119.9875 58.8189 63.7808 173.7863 121 D 4.6310 8.7610 123.4051 53.5889 41.4809 176.8658 122 H 4.3494 8.8372 122.5330 58.0040 28.9193 175.8368 123 E 4.2307 8.3147 118.4196 56.5856 29.6421 176.1637 124 D 4.7374 7.6575 120.1291 51.3358 41.4572 173.3929 125 E 4.2272 8.4467 122.7675 57.3470 30.1681 177.7304 126 G 3.9904 9.3694 111.9319 45.3121 0.0000 174.8938 127 A 4.0302 8.1829 122.3762 55.4138 18.1631 179.1598 128 N 4.3207 8.2532 114.6700 56.3002 37.2500 176.3278 129 E 3.9323 8.3242 121.7993 58.9364 29.6564 178.9200 130 R 3.9367 8.2246 115.8529 59.4923 29.6996 178.5943 131 E 3.9940 8.4396 119.7034 58.7952 29.4131 179.2819 132 I 3.7826 8.0111 120.0155 64.7070 37.0517 178.2869 133 E 4.2524 8.0113 119.1086 58.7991 29.3214 178.9349 134 L 3.9522 8.2966 119.9411 57.5721 42.2445 178.2108 135 F 4.2378 7.9675 114.8558 56.5012 40.1927 175.9387 136 F 4.9297 7.9856 117.6779 55.4526 42.6431 173.8299 137 D 4.6085 10.5303 126.9535 53.9832 41.6676 177.1902 138 E 3.8582 9.0053 124.9398 59.5370 29.8364 178.5921 139 D 4.6008 7.9938 115.2985 54.9984 39.7642 176.6071 140 E 4.2683 8.6412 119.2684 57.7420 29.9899 176.4286 141 L 4.7571 7.4703 118.7238 53.3926 43.5849 176.2776 142 V 4.3980 8.1637 121.2278 61.2452 33.7536 174.6495 143 D 4.9262 8.9213 128.6320 53.5014 41.5130 175.7739 144 W 5.0953 8.4799 119.5591 55.7339 30.9786 172.9936 145 D 4.5833 8.6775 117.5530 52.4196 42.9624 175.4266 146 Q 4.3421 7.8840 125.5150 54.3875 28.8948 176.2622 147 I 3.8367 8.6145 118.3290 64.2431 37.8242 177.7116 148 D 4.7109 8.3510 121.0741 57.2954 40.6730 178.4232 149 S 4.0557 8.0849 114.6771 61.8254 62.5970 176.5928 150 S 3.9958 7.2205 117.4542 60.6205 62.6182 175.9090 151 W 4.6004 8.0465 118.5659 56.6052 30.6686 176.7334 152 L 3.9663 7.7723 119.7557 56.7669 41.9007 176.2411 153 Y 4.7625 7.4740 117.1808 56.5907 41.2963 175.8112 *154 E 4.1447 8.9130 118.4063 56.2338 30.5323 173.9904 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 S 8.33 4.26 0.00 3.80 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 3 E 9.32 3.15 0.00 1.70 1.58 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 1.47 1.47 0.00 4 H 7.81 4.85 0.00 2.97 3.21 0.00 5.98 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.18 4.03 0.00 2.03 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 6 R 8.51 5.28 0.00 1.68 1.76 0.00 3.18 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 7 T 8.57 4.74 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 1.18 0.00 0.00 8 F 8.86 4.97 0.00 3.20 2.94 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 9 V 7.87 4.76 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 0.85 0.00 0.00 0.71 0.00 0.00 10 M 8.56 5.06 0.00 1.56 1.94 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.14 0.00 11 V 8.77 4.22 2.29 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 1.06 0.00 0.00 1.19 0.00 0.00 12 K 9.03 4.56 0.00 2.20 1.81 0.00 2.03 0.00 0.00 1.96 0.00 0.00 3.04 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.57 1.55 7.81 13 P 0.00 4.60 0.00 1.82 1.96 0.00 3.29 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.90 0.00 14 D 8.34 4.55 0.00 3.01 3.23 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 15 G 8.26 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 0.00 0.00 0.00 16 V 8.07 3.69 2.36 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 1.29 0.00 0.00 1.21 0.00 0.00 17 Q 8.09 4.10 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.53 2.61 0.00 18 R 8.06 4.31 0.00 1.80 1.98 0.00 3.30 0.00 0.00 3.28 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 19 G 7.87 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 20 L 7.60 4.65 0.00 1.71 1.27 0.76 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.86 3.82 1.73 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 1.64 0.59 0.53 0.00 0.00 22 G 8.05 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 23 D 8.06 4.54 0.00 2.42 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 24 I 7.32 3.57 2.08 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 1.26 0.53 0.98 0.00 0.00 25 V 8.04 4.01 2.34 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 1.62 0.00 0.00 1.34 0.00 0.00 26 S 8.65 4.15 0.00 3.97 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 27 R 7.54 3.81 0.00 1.48 1.65 0.00 3.22 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 28 F 7.30 4.14 0.00 2.05 1.45 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 29 E 8.52 4.21 0.00 2.23 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 2.74 2.96 0.00 30 D 8.38 4.42 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 31 R 7.48 4.03 0.00 1.83 2.19 0.00 3.30 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 32 G 8.23 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 33 L 7.27 4.42 0.00 1.62 1.84 0.73 0.81 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 34 K 9.00 4.78 0.00 1.78 1.74 0.00 0.61 0.00 0.00 0.96 0.00 0.00 2.61 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.17 0.95 7.81 35 M 8.77 3.58 0.00 1.82 0.76 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.27 0.00 36 V 8.80 4.60 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 0.85 0.00 0.00 37 G 7.24 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 38 G 8.51 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 0.00 0.00 0.00 39 K 8.72 4.61 0.00 1.87 1.54 0.00 1.52 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.26 1.40 7.81 40 F 9.25 5.25 0.00 3.34 3.12 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 41 M 8.43 4.73 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 42 Q 8.22 4.70 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.95 0.00 0.00 0.00 0.00 0.00 2.18 2.35 0.00 43 I 8.40 3.63 1.85 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.07 0.86 0.00 0.00 44 D 8.36 4.63 0.00 3.04 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 45 Q 8.54 3.93 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 46 E 8.14 3.91 0.00 2.15 2.19 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 2.56 2.28 0.00 47 L 8.34 3.72 0.00 1.64 1.76 0.42 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.05 3.98 1.44 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 0.00 0.00 0.00 49 E 8.32 4.25 0.00 2.16 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 0.00 2.39 2.63 0.00 50 E 8.31 4.07 0.00 2.00 1.86 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 2.28 2.30 0.00 51 H 8.11 4.01 0.00 2.99 3.23 0.00 5.81 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 7.90 4.90 0.00 3.24 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 53 G 8.50 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 54 E 8.24 4.01 0.00 2.07 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 0.00 2.23 2.06 0.00 55 H 8.48 4.90 0.00 3.48 3.27 0.00 5.64 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.60 2.00 0.00 1.27 1.44 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 2.13 2.03 0.00 57 D 7.64 4.59 0.00 2.57 2.61 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 58 K 7.38 4.44 0.00 1.28 0.97 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.22 1.21 7.81 59 P 0.00 4.16 0.00 2.11 2.16 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 60 F 7.52 4.56 0.00 3.26 3.30 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 61 F 7.81 4.07 0.00 3.20 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 62 D 8.28 4.34 0.00 2.79 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 63 G 8.02 3.58 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 0.00 64 L 7.78 3.92 0.00 1.90 1.30 0.81 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.42 3.59 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 0.95 0.00 0.00 0.39 0.00 0.00 66 D 8.01 4.36 0.00 2.92 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 67 F 8.36 4.45 0.00 3.10 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 68 I 7.81 3.41 2.32 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 1.13 0.00 0.00 69 T 7.61 4.36 4.21 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 1.27 0.00 0.00 70 S 7.85 4.15 0.00 4.10 4.22 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 0.00 0.00 0.00 0.00 71 G 6.61 4.03 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 0.00 0.00 0.00 72 P 0.00 4.37 0.00 1.31 1.83 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 73 V 8.46 4.57 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 0.68 0.00 0.00 0.95 0.00 0.00 74 F 8.83 5.16 0.00 3.40 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 75 A 8.54 4.69 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 76 M 9.04 5.07 0.00 1.70 2.03 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.08 0.00 77 V 8.11 4.82 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 0.93 0.00 0.00 0.32 0.00 0.00 78 W 8.91 5.25 0.00 3.04 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 79 E 8.60 5.52 0.00 1.94 1.74 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 2.17 2.32 0.00 80 G 8.46 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 0.00 0.00 0.00 0.00 81 Q 9.20 3.99 0.00 2.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.60 0.00 0.00 0.00 0.00 0.00 2.41 2.28 0.00 82 D 8.64 4.33 0.00 2.84 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 83 A 8.19 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.84 3.96 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 1.34 0.00 0.00 85 R 7.85 3.68 0.00 1.67 2.08 0.00 3.10 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.28 0.00 86 Q 8.14 3.97 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.63 2.53 0.00 87 V 8.18 3.69 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 1.02 0.00 0.00 0.69 0.00 0.00 88 R 8.07 4.07 0.00 2.16 2.05 0.00 3.48 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 89 T 8.05 3.98 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 1.21 0.00 0.00 90 M 8.27 4.19 0.00 2.03 2.33 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.59 0.00 91 M 7.99 4.11 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.64 0.00 92 G 7.39 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 93 E 8.23 4.43 0.00 2.16 1.91 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 2.32 2.58 0.00 94 T 8.47 3.95 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 1.23 0.00 0.00 95 D 7.92 4.45 0.00 2.66 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 96 P 0.00 4.32 0.00 2.22 2.26 0.00 3.64 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 97 A 7.99 4.22 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 98 E 7.91 4.60 0.00 2.08 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 2.37 2.37 0.00 99 S 7.69 4.60 0.00 4.03 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 0.00 100 A 8.15 4.36 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 0.00 101 P 0.00 4.52 0.00 2.00 1.94 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 102 G 9.89 4.21 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 0.00 103 T 7.73 4.19 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 1.23 0.00 0.00 104 I 8.45 3.81 1.90 0.00 0.00 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 1.50 0.97 1.01 0.00 0.00 105 R 8.46 4.18 0.00 1.96 2.00 0.00 3.26 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.77 0.00 106 G 8.08 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 0.00 107 D 7.70 4.47 0.00 1.93 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 0.00 0.00 0.00 108 Y 7.78 4.81 0.00 3.06 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 0.00 109 G 8.21 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 0.00 0.00 0.00 0.00 110 L 8.42 4.56 0.00 1.58 1.64 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.71 4.88 0.00 2.67 2.42 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 0.00 112 L 8.83 3.81 0.00 1.72 1.66 0.88 0.98 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 0.00 113 G 7.92 3.54 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 0.00 0.00 0.00 114 R 7.61 4.32 0.00 1.73 1.99 0.00 3.09 0.00 0.00 2.79 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.56 0.00 115 N 7.90 4.81 0.00 2.98 3.14 0.00 0.00 5.87 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 0.00 116 V 8.74 4.07 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 1.07 0.00 0.00 0.97 0.00 0.00 117 I 8.10 5.04 1.94 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.94 0.98 0.00 0.00 118 H 9.58 5.12 0.00 3.34 3.12 0.00 5.83 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 0.00 119 G 7.95 4.31 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 0.00 120 S 8.57 4.58 0.00 3.86 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 0.00 121 D 8.76 4.63 0.00 2.75 2.60 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 0.00 0.00 0.00 0.00 122 H 8.84 4.35 0.00 3.33 3.44 0.00 5.57 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.31 4.23 0.00 2.03 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 2.19 1.88 0.00 124 D 7.66 4.74 0.00 2.71 2.55 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 0.00 125 E 8.45 4.23 0.00 2.13 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 2.33 0.00 126 G 9.37 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 0.00 127 A 8.18 4.03 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 0.00 0.00 128 N 8.25 4.32 0.00 3.18 3.17 0.00 0.00 5.78 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 0.00 129 E 8.32 3.93 0.00 2.14 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 0.00 2.40 2.46 0.00 130 R 8.22 3.94 0.00 2.08 2.19 0.00 2.85 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 131 E 8.44 3.99 0.00 2.15 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 2.45 2.54 0.00 132 I 8.01 3.78 2.12 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 1.63 1.12 0.93 0.00 0.00 133 E 8.01 4.25 0.00 2.12 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 2.37 2.40 0.00 134 L 8.30 3.95 0.00 1.77 1.83 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 135 F 7.97 4.24 0.00 2.78 2.73 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 0.00 0.00 0.00 136 F 7.99 4.93 0.00 3.22 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 0.00 137 D 10.53 4.61 0.00 2.69 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 0.00 138 E 9.01 3.86 0.00 2.06 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 2.40 2.43 0.00 139 D 7.99 4.60 0.00 2.84 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 0.00 140 E 8.64 4.27 0.00 2.36 2.32 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 2.40 2.34 0.00 141 L 7.47 4.76 0.00 1.62 1.51 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 142 V 8.16 4.40 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 0.73 0.00 0.00 0.87 0.00 0.00 143 D 8.92 4.93 0.00 2.65 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 0.00 144 W 8.48 5.10 0.00 3.54 2.98 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 0.00 145 D 8.68 4.58 0.00 2.67 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 0.00 146 Q 7.88 4.34 0.00 1.12 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.82 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 147 I 8.61 3.84 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.01 1.01 0.00 0.00 148 D 8.35 4.71 0.00 2.73 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 0.00 149 S 8.08 4.06 0.00 4.22 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 0.00 150 S 7.22 4.00 0.00 3.99 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 0.00 151 W 8.05 4.60 0.00 3.21 3.22 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 0.00 0.00 0.00 0.00 152 L 7.77 3.97 0.00 1.53 0.81 0.78 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 153 Y 7.47 4.76 0.00 2.99 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 *154 E 8.91 4.14 0.00 1.76 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 2.12 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.