NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3372 8.3044 120.3509 55.6315 34.0649 175.0884 2 E 4.3651 7.5588 115.9178 54.9533 30.3148 172.0508 3 L 4.2494 8.2604 125.7916 53.8982 43.4137 176.2981 4 I 4.4883 8.2912 116.7044 58.9042 39.5793 174.7437 5 R 4.4880 8.5688 125.6054 54.8490 31.1718 174.9277 6 F 4.9953 7.9218 118.0463 55.3194 41.2059 173.2720 7 S 4.6598 8.5528 115.0514 56.2572 64.8649 173.0784 8 I 4.6788 7.7969 116.8491 59.0508 40.3435 174.3119 9 S 4.6502 8.5535 117.2795 56.6993 63.4735 173.1853 10 I 4.5245 8.0021 126.8598 57.3062 41.0839 172.8200 11 P 4.1667 0.0000 0.0000 63.7083 31.8566 176.8173 12 S 4.0885 8.9378 117.1342 61.4692 62.2531 176.2933 13 K 3.9335 7.9965 120.3716 59.3850 31.8838 178.5950 14 L 3.9011 7.8592 119.8721 58.2926 42.1479 178.5624 15 L 4.0637 7.9932 120.0587 58.0164 41.8805 178.6098 16 E 4.0278 8.0336 118.9610 58.8194 29.6317 178.3514 17 K 3.9831 8.0478 119.5354 59.3761 32.2092 178.3361 18 F 4.3045 8.3642 121.0262 61.5736 39.3102 176.5255 19 D 4.2875 8.2239 118.3319 57.5921 40.6464 179.2274 20 Q 3.8745 8.0229 119.6228 59.2022 29.1449 178.1043 21 I 3.6486 7.6078 120.6816 64.4645 37.0935 178.1252 22 I 3.3858 7.7946 119.6242 64.0849 37.6578 177.3178 23 E 3.9000 8.2250 120.1446 59.1967 29.1766 178.4185 24 E 3.9369 7.9305 118.1565 59.5518 29.8716 178.6160 25 I 3.9197 7.6974 118.4323 63.2400 37.1621 176.9168 26 G 4.1317 7.3959 105.6923 45.4001 0.0000 173.6460 27 Y 4.1183 7.6568 117.3578 57.8036 38.3905 176.0870 28 E 4.2444 8.6188 122.6141 58.8767 29.9309 176.1298 29 N 4.7232 7.5199 113.5056 51.5571 39.6719 174.3902 30 R 3.7681 8.6462 115.9808 59.8333 30.4739 178.5943 31 S 4.0711 8.0927 114.4281 61.8435 62.6756 176.3656 32 E 3.9921 8.1909 121.2820 59.4932 29.3473 178.8813 33 A 3.8061 7.4374 120.2280 55.1799 18.3023 179.5934 34 I 3.7201 8.6421 118.9022 64.6717 36.9944 178.9322 35 R 4.0209 8.2834 118.9720 59.2018 29.8126 178.4917 36 D 4.7585 7.9624 118.7010 57.4730 40.8283 178.5506 37 L 4.0174 8.2486 119.4451 58.2481 41.7517 179.9575 38 I 3.7538 8.0781 119.4665 64.5351 36.8719 178.6477 39 R 3.9561 8.9243 119.9983 59.4228 29.9311 178.9232 40 D 4.3309 8.8749 118.8781 57.4344 40.8017 178.0410 41 F 4.1262 8.5056 121.2881 61.8481 39.2890 176.9595 42 I 3.4188 7.9491 118.7654 64.6306 36.7413 178.5117 43 I 3.2879 7.2415 119.8682 64.3520 37.0063 178.5465 44 R 3.9437 8.2175 119.6884 59.4249 29.7819 178.1330 45 H 3.9599 8.2018 118.6051 59.1929 29.6850 177.1325 46 E 3.9782 7.6617 118.7167 58.7872 29.3303 179.3872 47 W 4.5421 7.6736 118.0188 59.8683 29.0890 177.8642 48 E 3.8837 7.8323 117.7967 59.1998 29.0658 178.1667 49 V 3.8696 7.8232 116.6147 64.2189 32.1615 177.2924 50 G 4.5296 7.9895 108.7433 48.7873 0.0000 174.4522 51 N 4.4049 8.2292 115.3262 53.8692 38.0164 174.1910 52 E 4.7164 7.7264 117.5661 56.1304 32.1656 175.5737 53 E 5.0533 8.7637 127.0257 55.7674 31.7245 175.8303 54 V 5.2439 9.3459 116.7389 58.4637 36.8275 174.1012 55 A 5.0994 8.4143 124.1686 50.2904 21.7637 175.7361 56 G 5.0445 9.8315 109.3935 44.6137 0.0000 171.3654 57 T 5.0036 8.3492 109.4388 59.8204 71.7637 172.8996 58 I 4.5004 8.6241 128.0187 59.9121 38.7260 174.4950 59 T 4.8957 8.3426 125.1637 62.6525 70.0882 174.3418 60 I 4.9627 8.7750 118.5690 59.4442 41.7574 173.8113 61 V 5.4682 8.6895 123.6928 60.5232 34.5090 173.6238 62 Y 5.1811 7.7267 123.8565 55.7842 41.6264 173.6069 63 N 5.4613 9.2180 121.1116 52.1608 38.7807 174.9420 64 H 4.4930 9.1823 122.9240 58.2638 28.5992 176.3652 65 D 4.4266 8.0889 119.1804 56.2976 40.9536 176.6271 66 E 4.1249 8.2755 118.8904 56.5029 28.1575 177.4650 67 G 3.8112 8.4694 113.0719 44.6746 0.0000 171.6603 68 D 4.8769 8.4456 122.8414 53.2744 40.0405 178.4321 69 V 3.4156 7.9753 122.9788 66.0291 30.4029 178.0106 70 V 3.5322 7.7919 118.1030 65.6017 31.4211 177.4564 71 K 3.9647 8.8173 119.8870 59.0176 32.0257 178.2533 72 A 4.0422 7.9717 120.2963 55.4478 18.1764 179.2237 73 L 3.8525 8.0526 117.3327 58.0355 41.6329 179.9318 74 L 3.9823 7.5210 117.3275 57.9685 41.5091 179.0781 75 D 4.4527 8.0610 118.8070 57.5219 40.5770 178.9367 76 L 4.0428 8.0380 119.5864 58.3105 42.4092 178.7564 77 Q 4.2154 8.3382 118.2804 59.3446 28.5111 178.2383 78 H 4.3518 8.9551 116.5726 57.9474 28.7896 176.9557 79 E 4.0629 7.8258 120.8445 57.5572 31.1590 176.1274 80 Y 4.7328 7.6340 116.3326 56.3173 37.9748 175.9480 81 L 3.9957 7.8531 124.6632 58.0585 42.6166 179.7551 82 D 4.4677 8.2481 116.5480 57.3197 40.9895 177.8449 83 E 4.5844 7.8500 117.0304 56.6775 30.1060 175.8152 84 I 4.6001 7.3954 119.6480 59.7340 37.0137 175.1054 85 I 4.0896 7.6755 129.3861 62.6865 36.6570 177.3971 86 S 4.6745 7.5397 113.8038 57.7206 67.2552 172.1765 87 S 5.0154 8.3280 113.7282 56.7606 65.1363 172.4442 88 L 4.6332 8.8480 129.4799 53.9887 43.8172 174.4630 89 H 5.2125 8.7708 125.1091 54.3956 32.7855 172.2607 90 V 4.2177 8.8847 126.2817 61.1609 33.7808 174.6089 91 H 4.7120 8.7522 125.7926 56.0124 27.5228 175.1548 92 M 4.1379 8.5101 125.6016 58.0721 32.0093 176.0883 93 D 4.4006 8.0035 115.8012 52.3785 42.5339 175.8554 94 E 3.7006 8.9050 119.6703 59.1310 29.5127 177.1727 95 H 4.8693 10.5220 114.2629 55.7062 31.4283 173.3071 96 N 5.2471 8.0821 116.1644 51.7745 40.9715 174.1265 97 C 4.8657 8.3916 119.1478 57.6304 32.3216 172.6186 98 L 5.0736 8.3328 124.0696 53.2155 44.7170 174.8428 99 E 5.0703 9.5873 127.2509 54.6978 33.4541 173.8887 100 V 4.8116 8.9690 127.7490 60.2470 33.7015 174.9169 101 I 4.5143 8.6560 128.2320 59.7302 38.6422 175.3473 102 V 4.4480 8.4494 128.6111 62.5752 32.5852 175.3359 103 V 5.0343 9.0033 120.6275 59.5442 35.8752 174.4913 104 K 4.6330 9.8188 124.1213 55.2219 36.1782 176.2718 105 G 3.6997 8.0181 111.2756 44.6074 0.0000 172.0959 106 E 5.0874 9.0984 124.5694 56.0933 30.2020 178.1389 107 A 3.8735 8.3800 129.6842 55.2162 18.6825 178.5826 108 K 3.9090 8.0657 117.4459 59.7939 32.4176 178.6449 109 K 3.9369 7.9605 119.1364 59.5468 32.0817 178.7488 110 I 3.6334 8.2285 120.5509 64.1508 36.5539 178.3141 111 K 3.9683 8.8218 121.1844 58.9386 32.1028 178.2683 112 M 4.2046 7.8058 116.7174 57.2408 31.5414 178.6023 113 I 3.4443 7.3286 120.9210 63.9723 37.3467 177.7502 114 A 3.9539 8.1152 121.9623 55.3796 18.0441 179.2625 115 D 4.2632 7.7329 116.0811 57.4409 40.7350 178.7966 116 K 3.8536 7.5457 117.3121 59.8764 32.3767 178.7699 117 L 4.0715 7.8973 118.5187 58.0426 41.4380 179.7561 118 L 4.0299 7.9291 117.8495 57.1961 41.6498 179.0524 119 S 4.3861 8.0632 113.0207 58.6382 63.4764 174.1083 120 L 4.1062 7.3701 123.3329 54.3161 41.3579 176.2843 121 K 3.9120 7.9479 118.6333 60.1056 32.7307 178.9037 122 G 3.4849 7.8592 113.0752 46.3880 0.0000 172.9864 123 V 3.6204 7.0627 119.4659 63.5658 31.5103 175.7332 124 K 4.1410 8.8542 127.4788 58.9219 32.4164 176.4527 125 H 5.1964 8.8271 112.9818 54.3558 32.0166 171.8957 126 G 4.7351 7.9015 108.1700 45.1626 0.0000 172.2462 127 K 4.4040 7.7915 120.7756 55.2670 35.4456 173.8575 128 L 4.7668 8.6160 128.7187 54.2510 44.1216 176.1738 129 V 4.3356 8.1495 122.6613 62.0725 34.3107 173.9895 130 M 4.9483 8.6412 127.3268 54.3947 34.3626 175.6972 131 T 4.4018 8.0523 115.9005 61.5104 73.4634 174.2184 132 S 4.5707 8.4701 122.2156 59.5005 60.5142 175.0334 *133 T 4.1374 7.9077 119.4559 61.7635 68.9609 174.0355 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 8.30 4.34 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 E 7.56 4.37 0.00 1.98 1.81 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 2.16 2.46 0.00 3 L 8.26 4.25 0.00 1.70 1.62 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.29 4.49 1.93 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 1.35 0.77 0.94 0.00 0.00 5 R 8.57 4.49 0.00 1.79 1.86 0.00 3.17 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 6 F 7.92 5.00 0.00 3.17 2.97 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 7 S 8.55 4.66 0.00 3.76 3.75 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 8 I 7.80 4.68 1.89 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 1.19 0.79 1.12 0.00 0.00 9 S 8.55 4.65 0.00 3.84 3.79 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 10 I 8.00 4.52 1.82 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.87 0.88 0.00 0.00 11 P 0.00 4.17 0.00 2.28 2.20 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 12 S 8.94 4.09 0.00 3.90 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.00 3.93 0.00 1.80 1.85 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.45 7.81 14 L 7.86 3.90 0.00 1.73 1.94 0.88 0.44 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 15 L 7.99 4.06 0.00 1.82 1.68 1.10 0.93 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 16 E 8.03 4.03 0.00 2.23 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 2.32 0.00 17 K 8.05 3.98 0.00 1.97 1.98 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.54 7.81 18 F 8.36 4.30 0.00 3.04 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 19 D 8.22 4.29 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 20 Q 8.02 3.87 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 21 I 7.61 3.65 1.97 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 1.42 0.60 0.92 0.00 0.00 22 I 7.79 3.39 0.87 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.30 0.57 0.00 0.00 23 E 8.23 3.90 0.00 2.19 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 0.00 2.29 2.35 0.00 24 E 7.93 3.94 0.00 1.99 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 2.33 2.41 0.00 25 I 7.70 3.92 2.33 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.90 1.08 0.00 0.00 26 G 7.40 4.13 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 0.00 0.00 0.00 27 Y 7.66 4.12 0.00 2.95 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.62 4.24 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 29 N 7.52 4.72 0.00 2.90 2.92 0.00 0.00 6.30 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 30 R 8.65 3.77 0.00 1.89 2.09 0.00 3.19 0.00 0.00 3.42 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 31 S 8.09 4.07 0.00 3.88 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 32 E 8.19 3.99 0.00 2.34 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 0.00 2.47 2.42 0.00 33 A 7.44 3.81 0.49 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 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.64 3.72 1.94 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 1.65 1.01 0.93 0.00 0.00 35 R 8.28 4.02 0.00 2.11 2.04 0.00 3.19 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.03 0.00 36 D 7.96 4.76 0.00 3.05 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 37 L 8.25 4.02 0.00 1.92 1.74 0.83 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.08 3.75 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.83 0.96 0.00 0.00 39 R 8.92 3.96 0.00 2.08 2.00 0.00 3.14 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 1.67 1.71 0.00 40 D 8.87 4.33 0.00 2.94 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 41 F 8.51 4.13 0.00 3.08 3.34 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 42 I 7.95 3.42 1.92 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 1.58 1.08 0.83 0.00 0.00 43 I 7.24 3.29 1.71 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.24 0.17 0.00 0.00 44 R 8.22 3.94 0.00 1.90 2.02 0.00 3.18 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 45 H 8.20 3.96 0.00 2.55 3.03 0.00 5.65 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 46 E 7.66 3.98 0.00 1.80 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 2.29 2.41 0.00 47 W 7.67 4.54 0.00 3.62 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.83 3.88 0.00 2.04 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 0.00 2.33 2.41 0.00 49 V 7.82 3.87 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 0.78 0.00 0.00 0.76 0.00 0.00 50 G 7.99 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.23 4.40 0.00 3.00 2.95 0.00 0.00 6.89 7.65 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 52 E 7.73 4.72 0.00 1.97 1.64 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 2.34 2.39 0.00 53 E 8.76 5.05 0.00 1.77 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 54 V 9.35 5.24 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 0.38 0.00 0.00 0.88 0.00 0.00 55 A 8.41 5.10 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 56 G 9.83 5.04 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 57 T 8.35 5.00 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 58 I 8.62 4.50 1.94 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 1.20 0.76 0.91 0.00 0.00 59 T 8.34 4.90 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 1.23 0.00 0.00 60 I 8.78 4.96 1.98 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 1.40 1.15 0.94 0.00 0.00 61 V 8.69 5.47 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 1.06 0.00 0.00 1.00 0.00 0.00 62 Y 7.73 5.18 0.00 3.20 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 63 N 9.22 5.46 0.00 2.81 2.82 0.00 0.00 7.40 7.89 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 64 H 9.18 4.49 0.00 3.52 3.66 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 65 D 8.09 4.43 0.00 2.89 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 66 E 8.28 4.12 0.00 1.99 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 2.52 2.41 0.00 67 G 8.47 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 0.00 0.00 0.00 68 D 8.45 4.88 0.00 2.86 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 69 V 7.98 3.42 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 1.08 0.00 0.00 0.69 0.00 0.00 70 V 7.79 3.53 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 1.12 0.00 0.00 1.19 0.00 0.00 71 K 8.82 3.96 0.00 1.80 1.96 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.66 1.46 7.81 72 A 7.97 4.04 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 73 L 8.05 3.85 0.00 1.76 1.65 0.08 0.52 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 74 L 7.52 3.98 0.00 1.89 1.79 1.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.06 4.45 0.00 2.71 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.04 4.04 0.00 1.90 1.87 0.93 0.95 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 77 Q 8.34 4.22 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.69 0.00 78 H 8.96 4.35 0.00 3.18 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.83 4.06 0.00 1.97 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 1.65 2.10 0.00 80 Y 7.63 4.73 0.00 3.08 2.95 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 81 L 7.85 4.00 0.00 1.72 1.73 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.25 4.47 0.00 2.70 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 83 E 7.85 4.58 0.00 2.05 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 2.32 2.31 0.00 84 I 7.40 4.60 2.01 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 1.28 0.62 0.90 0.00 0.00 85 I 7.68 4.09 1.99 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 1.27 0.46 0.90 0.00 0.00 86 S 7.54 4.67 0.00 3.84 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.33 5.02 0.00 3.85 3.73 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 88 L 8.85 4.63 0.00 1.82 1.51 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 89 H 8.77 5.21 0.00 3.16 3.06 0.00 5.74 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.88 4.22 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 0.90 0.00 0.00 0.91 0.00 0.00 91 H 8.75 4.71 0.00 3.19 3.24 0.00 5.76 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 92 M 8.51 4.14 0.00 1.98 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 93 D 8.00 4.40 0.00 2.86 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.90 3.70 0.00 1.89 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 2.09 2.29 0.00 95 H 10.52 4.87 0.00 3.30 3.25 0.00 5.65 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 96 N 8.08 5.25 0.00 2.96 2.65 0.00 0.00 6.64 7.54 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 97 C 8.39 4.87 0.00 1.63 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 0.00 0.00 0.00 0.00 98 L 8.33 5.07 0.00 1.63 1.52 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 99 E 9.59 5.07 0.00 2.04 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 2.27 2.47 0.00 100 V 8.97 4.81 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 0.76 0.00 0.00 0.93 0.00 0.00 101 I 8.66 4.51 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.72 0.95 0.00 0.00 102 V 8.45 4.45 2.18 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 0.96 0.00 0.00 0.92 0.00 0.00 103 V 9.00 5.03 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 0.67 0.00 0.00 0.88 0.00 0.00 104 K 9.82 4.63 0.00 1.72 1.55 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.33 7.81 105 G 8.02 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 0.00 106 E 9.10 5.09 0.00 2.04 1.87 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 2.45 2.38 0.00 107 A 8.38 3.87 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 0.00 108 K 8.07 3.91 0.00 1.85 1.97 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.45 7.81 109 K 7.96 3.94 0.00 1.87 1.86 0.00 1.84 0.00 0.00 2.02 0.00 0.00 3.37 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.51 1.61 7.81 110 I 8.23 3.63 1.81 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 1.33 0.49 0.84 0.00 0.00 111 K 8.82 3.97 0.00 1.81 1.94 0.00 1.51 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.48 7.81 112 M 7.81 4.20 0.00 2.47 2.28 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 2.70 2.61 0.00 113 I 7.33 3.44 1.76 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.71 0.56 0.00 0.00 114 A 8.12 3.95 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 0.00 115 D 7.73 4.26 0.00 2.89 2.72 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 0.00 116 K 7.55 3.85 0.00 1.88 1.92 0.00 1.85 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.70 7.81 117 L 7.90 4.07 0.00 1.82 1.68 0.87 0.39 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 0.00 118 L 7.93 4.03 0.00 1.72 1.75 1.00 0.90 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 0.00 119 S 8.06 4.39 0.00 4.01 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.37 4.11 0.00 1.85 1.63 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 121 K 7.95 3.91 0.00 1.93 1.93 0.00 1.62 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.44 7.81 122 G 7.86 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.06 3.62 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 0.89 0.00 0.00 0.93 0.00 0.00 124 K 8.85 4.14 0.00 1.57 1.56 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.53 7.81 125 H 8.83 5.20 0.00 3.14 3.22 0.00 5.76 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 0.00 126 G 7.90 4.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 7.79 4.40 0.00 1.87 1.62 0.00 1.63 0.00 0.00 1.78 0.00 0.00 3.17 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.47 7.81 128 L 8.62 4.77 0.00 1.67 1.55 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 129 V 8.15 4.34 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 0.91 0.00 0.00 0.96 0.00 0.00 130 M 8.64 4.95 0.00 1.61 1.70 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 131 T 8.05 4.40 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 132 S 8.47 4.57 0.00 3.82 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *133 T 7.91 4.14 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 * Residues marked with a * may have inaccurate shift predictions.