NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 H 4.4998 8.4444 120.3901 55.9285 30.9574 172.5384 22 M 4.0934 8.2477 123.7760 52.8252 31.8804 172.5511 23 E 4.3913 9.2953 126.3322 56.0646 32.0654 176.3477 24 K 4.1923 8.6637 121.4934 56.1355 34.1103 175.7881 25 V 4.6649 7.7886 121.9001 61.5989 34.0446 174.1042 26 Y 5.3344 8.1866 123.6387 54.9186 43.1341 174.0042 27 G 3.1346 7.0953 105.4592 46.4598 0.0000 170.9426 28 L 5.3986 7.9556 121.9423 53.3151 44.6337 175.3080 29 I 5.0197 8.7453 127.6695 60.0548 39.5421 175.4495 30 G 4.0777 8.5001 112.7857 47.0385 0.0000 171.8987 31 F 5.1681 9.0214 122.5501 57.2356 41.1928 172.6060 32 P 4.5309 0.0000 0.0000 62.1179 32.6922 176.3635 33 V 4.5624 7.9342 106.9929 60.7941 35.0241 177.0259 34 E 3.8491 8.3716 117.4962 59.1533 29.0387 177.4992 35 H 4.8571 7.9136 113.4617 55.1570 29.2961 174.7079 36 S 4.3249 8.0951 115.0019 59.0018 62.8602 174.5485 37 L 4.6412 8.2941 123.2301 54.6545 42.1522 178.7171 38 S 3.9943 7.9664 117.1440 61.0897 62.6765 174.7438 39 P 4.1851 0.0000 0.0000 65.3033 31.0318 178.0225 40 L 3.9035 7.9389 118.9196 58.5762 41.9112 178.9132 41 M 3.8866 7.7326 116.3348 58.6234 31.1665 178.1847 42 H 3.8368 8.1337 117.7788 58.4942 28.8725 177.6133 43 N 4.6415 8.5474 118.7465 56.3944 38.3389 177.0455 44 D 4.3252 7.9188 119.5068 57.1221 41.3377 178.1837 45 A 3.7845 7.7427 121.5098 54.7637 18.2616 179.6295 46 F 4.6283 8.4659 116.4505 60.8567 39.0382 177.6913 47 A 4.0476 8.1363 120.2421 55.3521 18.0200 179.5536 48 R 3.8714 7.9779 115.8398 58.9700 30.0779 177.6671 49 L 4.6514 7.6674 115.5563 53.2989 42.0823 176.3927 50 G 3.9359 8.0354 106.5513 46.6788 0.0000 174.0508 51 I 4.3209 8.2989 121.5858 58.7595 38.4167 175.1307 52 P 4.4889 0.0000 0.0000 62.8596 30.6131 174.9409 53 A 4.7304 7.7033 126.3407 51.8983 22.2217 174.8709 54 R 4.8925 8.2392 118.0511 55.1642 34.1254 172.9346 55 Y 5.0883 9.8805 127.2350 56.5845 40.3417 174.2839 56 H 4.9542 8.7494 123.0523 53.8927 33.2449 172.1974 57 L 4.7316 8.0038 118.6672 53.1180 43.5815 176.5709 58 F 4.8734 9.0745 123.5106 55.6428 41.2565 174.9532 59 S 4.9117 8.9148 120.0518 57.9799 62.4765 173.2361 60 V 4.3143 8.5498 128.5444 60.8697 32.6625 175.5958 61 E 2.9763 8.4145 127.7434 54.9528 30.1046 174.8126 62 P 4.5233 0.0000 0.0000 64.0810 31.9272 176.3163 63 G 4.0553 8.9792 109.9883 45.5407 0.0000 174.3129 64 Q 4.4237 7.8899 116.6651 55.5257 29.6194 177.5618 65 V 3.5349 7.6512 120.0679 65.8735 31.4888 178.0992 66 G 2.0222 7.5507 104.7109 47.2229 0.0000 175.3930 67 A 3.8680 7.5645 122.4475 54.3803 18.3863 179.4950 68 A 3.7496 8.0545 119.9773 55.3722 18.4600 180.0001 69 I 3.5886 7.7286 118.2148 64.4020 37.2082 178.6010 70 A 4.0913 7.9146 121.8249 54.8934 18.0388 179.9707 71 G 3.4173 8.1028 104.7396 47.6685 0.0000 176.0781 72 V 3.3864 7.6924 120.7346 65.6856 31.6534 178.0855 73 R 3.7552 7.7027 117.5403 59.5412 29.7857 178.3716 74 A 3.9872 7.7455 118.9734 54.7747 18.4571 178.7816 75 L 4.2468 8.0101 115.2893 54.4382 42.0286 177.4668 76 G 3.7851 7.5895 106.4600 46.1624 0.0000 173.9725 77 I 3.5579 7.4056 120.4644 60.5432 37.6813 176.4459 78 A 3.7553 8.3951 128.7109 54.3849 18.5141 177.4264 79 G 4.1549 6.4347 100.3021 46.2293 0.0000 172.8986 80 V 5.1673 8.1980 112.9565 59.8409 36.6040 174.5887 81 N 5.5366 9.5572 121.0502 52.5000 41.2167 174.3559 82 V 4.9323 9.0451 120.2411 61.8882 34.8953 174.4762 83 T 5.0466 8.9538 123.2794 59.7327 71.0658 172.6179 84 I 4.0841 8.4324 121.9532 60.9258 38.1585 175.3867 85 P 5.0657 0.0000 0.0000 63.2197 31.7702 175.0394 86 H 4.9906 8.0881 114.3055 56.4863 30.3088 176.6843 87 K 4.5116 8.2267 121.6726 58.6970 31.6133 178.2521 88 L 4.0709 7.8702 119.2302 57.6113 42.2169 178.1104 89 A 4.0711 8.1347 119.0268 55.6216 18.5254 179.6456 90 V 4.0129 8.0876 110.2689 63.8895 31.5555 178.5785 91 I 3.6340 7.4787 120.1342 64.1999 36.8388 176.4296 92 P 4.1462 0.0000 0.0000 64.3599 31.1275 177.4940 93 F 4.8067 7.2493 114.7655 56.5095 39.5749 175.6650 94 L 4.5702 7.0491 119.0018 54.0006 42.7637 176.3458 95 D 4.6974 8.4321 119.7302 55.7470 41.7842 176.5514 96 E 4.6983 7.6167 117.4126 55.0656 33.0611 173.9271 97 V 4.6922 8.1469 125.4940 60.6146 34.6038 174.5134 98 D 4.3341 8.6454 127.8711 54.2783 41.8197 176.5035 99 E 3.8773 9.2420 125.6807 59.9436 29.3572 178.8447 100 H 4.1906 8.3806 117.3466 59.3471 30.0452 177.1611 101 A 3.9456 8.0298 122.0715 55.1963 17.8359 179.2482 102 R 3.7822 8.6794 116.9570 59.4172 29.9579 178.7699 103 R 3.9228 8.0352 117.8171 60.0576 30.1627 178.3903 104 I 3.8583 7.7921 118.0151 62.1297 37.1138 176.6040 105 G 3.8366 9.4074 106.8459 45.1038 0.0000 173.0374 106 A 4.7635 7.6411 119.1909 50.6556 22.3781 176.7624 107 V 4.6384 9.0059 121.4552 61.0979 34.2332 175.4854 108 N 5.5921 8.7603 121.4938 51.9729 39.5502 173.7487 109 T 5.3390 8.4461 117.0860 62.3210 73.2201 172.8670 110 I 5.3131 9.5951 126.8648 59.5607 41.3463 174.2893 111 I 5.0313 8.9068 125.6453 59.3240 41.4949 173.7142 112 N 5.1066 9.0846 128.2145 52.4753 39.6781 174.4964 113 N 4.6530 9.5649 126.5275 52.4121 37.7943 174.9750 114 D 4.3981 9.6817 126.2135 55.2807 39.9318 174.1945 115 G 4.0161 8.9297 106.8606 45.0640 0.0000 174.4275 116 R 4.4261 8.1554 121.0766 55.0620 30.9100 174.5615 117 L 5.0968 9.0265 126.1732 53.4636 43.6432 175.6269 118 V 4.7630 8.7663 124.2677 60.9833 34.2233 174.3550 119 G 4.4777 8.9320 115.3303 45.0748 0.0000 172.1053 120 Y 5.3428 9.4660 120.3384 56.1306 43.3045 173.9346 121 N 5.2822 8.9525 118.3927 52.5226 41.4815 173.6665 122 T 4.5869 9.7611 116.3875 61.7003 69.8166 176.3534 123 D 4.5298 8.6368 124.4849 58.0894 40.8092 178.4069 124 G 3.6650 8.1932 105.9260 47.4686 0.0000 174.9151 125 L 4.1035 8.2081 122.7344 57.7149 42.0278 179.6850 126 G 3.7158 8.2114 105.2043 47.8426 0.0000 175.1341 127 Y 3.9685 8.0204 122.0374 60.4234 38.8650 177.8864 128 V 3.4305 7.9552 119.0619 66.2877 31.4912 177.7555 129 Q 3.7938 8.2022 117.2249 59.0957 28.6243 179.2097 130 A 2.9067 7.3173 121.3003 54.4022 18.1392 179.3099 131 L 3.6084 7.2875 119.4348 58.1434 42.3745 179.0056 132 E 3.9807 8.1031 117.3213 58.6005 29.0585 178.1980 133 E 4.0600 7.6452 120.2865 58.4251 29.8780 177.5111 134 E 3.8607 8.0686 118.4883 58.6648 29.8262 177.6599 135 M 4.2005 8.2259 116.8685 53.9403 33.8460 175.1450 136 N 4.1938 7.3712 117.0193 54.3107 37.5847 171.3865 137 I 4.7319 7.6481 110.1985 59.7007 41.3873 174.8655 138 T 4.6220 7.9748 115.4059 61.3811 71.5856 175.5350 139 L 3.7259 8.5685 125.4091 57.8887 42.0870 177.2691 140 D 4.9842 7.2681 118.9431 54.0709 38.0401 174.7210 141 G 4.3318 7.9615 109.0831 46.4901 0.0000 171.8783 142 K 4.5047 7.4563 115.6236 55.5724 33.0195 177.8524 143 R 4.1196 7.6608 121.3992 55.1374 28.1050 175.3369 *237 S 4.2217 7.6494 114.4727 57.5926 64.5105 173.6888 238 D 4.8522 8.3137 121.9054 52.3230 41.9200 176.5446 239 I 4.0381 8.3416 120.3746 62.5270 37.8997 175.6856 240 I 4.0482 7.7812 123.7570 61.3954 37.2706 175.1848 241 Y 4.8409 7.4947 121.4742 56.5089 38.4469 175.7919 242 N 4.4751 7.3451 116.7208 52.6778 39.6101 173.7142 *260 Q 4.0368 7.9164 116.4569 55.5696 30.0589 174.2353 261 N 5.0469 8.5481 121.3921 52.6789 40.1255 175.7042 262 G 4.6033 8.5237 105.1656 44.9831 0.0000 175.6443 263 V 3.4421 7.9923 121.0847 66.3588 31.3550 177.6417 264 G 3.8521 8.2418 104.4985 48.2778 0.0000 174.9928 265 M 4.0978 7.9104 119.6759 58.2733 32.5175 177.6122 266 L 3.9118 8.2887 120.9875 58.2978 42.1104 179.2012 267 V 3.3548 7.9478 118.0537 66.3180 31.5004 177.6430 268 Y 3.9059 8.3422 116.8146 60.9229 37.8004 178.5339 269 Q 4.2956 8.6561 119.2084 59.1459 28.7435 178.8977 270 G 3.4598 7.9494 107.0025 47.5008 0.0000 175.5719 271 A 3.5432 7.9969 123.8773 54.5789 18.1716 179.7469 272 L 4.1867 8.0847 117.3390 57.8659 41.6974 179.6340 273 A 3.4782 7.5988 120.4327 54.7592 18.1198 179.3851 274 F 3.8144 8.2220 119.5051 61.4040 39.3820 177.0131 275 E 4.3506 8.5632 120.6907 58.6846 29.2178 178.9412 276 K 3.9563 7.6455 117.8477 59.1042 32.1360 179.1926 277 W 4.6471 7.8938 118.3518 59.9205 29.1936 178.0824 278 T 4.4461 8.2973 107.6620 61.4345 69.0966 175.9334 279 G 4.0351 8.6702 109.0598 45.1952 0.0000 172.7535 280 Q 4.6662 8.2072 118.8856 53.4154 31.4661 174.5025 281 W 4.5113 8.8794 133.2315 55.8348 31.1058 174.1659 282 P 3.9031 0.0000 0.0000 61.7135 31.8324 176.4070 283 D 4.2695 7.8830 118.0842 54.1284 41.1781 177.0317 284 V 3.2733 7.8894 121.9525 64.0634 31.5104 178.1591 285 N 4.3302 8.0407 116.0461 56.2010 38.3929 177.2231 286 R 3.7812 8.5094 120.4958 59.4709 30.0958 178.4651 287 M 3.8336 7.5357 118.0355 58.2261 31.8742 178.7738 288 K 3.7948 8.2339 118.8996 59.4764 32.2554 178.9297 289 Q 3.9133 8.1315 119.8085 59.3283 28.9232 178.6310 290 L 3.9192 7.9228 119.7662 58.0301 41.5846 179.1392 291 V 3.4451 7.8941 118.1718 65.9148 31.3052 177.6375 292 I 3.6327 8.1959 119.4020 64.7937 36.9836 177.6454 293 E 3.8803 7.9328 118.0696 59.6361 29.3988 178.6738 294 A 4.1424 7.6627 119.3787 55.0724 18.6409 179.4037 295 L 4.1025 8.1981 116.3562 56.9725 41.6909 178.2023 296 R 4.3332 7.6101 122.1844 56.2260 30.3744 175.8835 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 21 H 8.44 4.50 0.00 3.14 3.24 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 M 8.25 4.09 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 23 E 9.30 4.39 0.00 1.94 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 2.32 0.00 24 K 8.66 4.19 0.00 1.60 1.35 0.00 1.61 0.00 0.00 1.43 0.00 0.00 2.71 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.30 7.81 25 V 7.79 4.66 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 1.09 0.00 0.00 0.89 0.00 0.00 26 Y 8.19 5.33 0.00 2.87 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 0.00 0.00 0.00 27 G 7.10 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 0.00 0.00 0.00 28 L 7.96 5.40 0.00 2.09 1.68 1.18 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.75 5.02 2.13 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 0.76 1.03 0.00 0.00 30 G 8.50 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.02 5.17 0.00 3.18 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 32 P 0.00 4.53 0.00 2.09 1.74 0.00 3.71 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 33 V 7.93 4.56 2.17 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 0.94 0.00 0.00 0.99 0.00 0.00 34 E 8.37 3.85 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.88 0.00 35 H 7.91 4.86 0.00 3.18 3.36 0.00 5.73 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 36 S 8.10 4.32 0.00 3.96 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 37 L 8.29 4.64 0.00 1.64 1.58 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.97 3.99 0.00 3.95 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 39 P 0.00 4.19 0.00 2.21 2.37 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.46 0.00 40 L 7.94 3.90 0.00 1.72 1.83 0.89 0.89 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 41 M 7.73 3.89 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.58 0.00 42 H 8.13 3.84 0.00 2.90 3.11 0.00 5.81 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 43 N 8.55 4.64 0.00 2.86 2.97 0.00 0.00 6.70 7.63 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 44 D 7.92 4.33 0.00 2.75 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 45 A 7.74 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.47 4.63 0.00 3.39 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 47 A 8.14 4.05 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 48 R 7.98 3.87 0.00 1.85 2.11 0.00 3.17 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 49 L 7.67 4.65 0.00 1.85 1.89 0.95 1.02 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 50 G 8.04 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 51 I 8.30 4.32 2.29 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.98 0.86 0.00 0.00 52 P 0.00 4.49 0.00 2.00 2.13 0.00 3.68 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.72 0.00 53 A 7.70 4.73 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.24 4.89 0.00 1.89 1.71 0.00 3.11 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.87 0.00 55 Y 9.88 5.09 0.00 3.26 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 56 H 8.75 4.95 0.00 2.47 2.59 0.00 5.62 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.00 4.73 0.00 1.43 1.55 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 58 F 9.07 4.87 0.00 3.15 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 59 S 8.91 4.91 0.00 4.02 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 60 V 8.55 4.31 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 0.69 0.00 0.00 1.02 0.00 0.00 61 E 8.41 2.98 0.00 1.82 1.51 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 1.66 2.08 0.00 62 P 0.00 4.52 0.00 2.01 2.02 0.00 3.35 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 63 G 8.98 4.06 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 0.00 0.00 0.00 64 Q 7.89 4.42 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.75 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 65 V 7.65 3.53 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 1.10 0.00 0.00 0.68 0.00 0.00 66 G 7.55 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 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.56 3.87 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 68 A 8.05 3.75 1.24 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 0.00 0.00 69 I 7.73 3.59 1.78 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 1.65 1.44 0.97 0.00 0.00 70 A 7.91 4.09 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 71 G 8.10 3.42 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 0.00 0.00 0.00 72 V 7.69 3.39 2.17 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 0.88 0.00 0.00 0.77 0.00 0.00 73 R 7.70 3.76 0.00 1.88 2.02 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 74 A 7.75 3.99 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 75 L 8.01 4.25 0.00 1.56 1.62 0.78 1.06 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 76 G 7.59 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 0.00 0.00 0.00 77 I 7.41 3.56 1.78 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.41 0.76 0.00 0.00 78 A 8.40 3.76 0.30 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 79 G 6.43 4.15 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 0.00 80 V 8.20 5.17 2.27 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 0.70 0.00 0.00 1.03 0.00 0.00 81 N 9.56 5.54 0.00 3.04 2.99 0.00 0.00 6.54 7.22 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 82 V 9.05 4.93 2.43 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 1.10 0.00 0.00 1.08 0.00 0.00 83 T 8.95 5.05 4.37 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 1.39 0.00 0.00 84 I 8.43 4.08 1.91 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 1.43 0.48 0.94 0.00 0.00 85 P 0.00 5.07 0.00 2.18 2.13 0.00 3.53 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.03 0.00 86 H 8.09 4.99 0.00 3.31 3.37 0.00 5.64 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 87 K 8.23 4.51 0.00 1.85 1.94 0.00 1.98 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.89 1.46 7.81 88 L 7.87 4.07 0.00 1.74 1.67 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.13 4.07 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.09 4.01 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.06 0.00 0.00 91 I 7.48 3.63 1.90 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 1.51 0.87 0.85 0.00 0.00 92 P 0.00 4.15 0.00 0.90 1.72 0.00 3.42 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 93 F 7.25 4.81 0.00 3.19 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 94 L 7.05 4.57 0.00 1.64 1.73 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.43 4.70 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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8.31 4.85 0.00 2.69 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 0.00 239 I 8.34 4.04 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 1.42 0.43 0.90 0.00 0.00 240 I 7.78 4.05 2.11 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 1.28 0.61 0.82 0.00 0.00 241 Y 7.49 4.84 0.00 3.01 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 0.00 242 N 7.35 4.48 0.00 2.69 2.54 0.00 0.00 7.01 7.08 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 *260 Q 7.92 4.04 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.13 6.64 0.00 0.00 0.00 0.00 0.00 2.34 2.73 0.00 261 N 8.55 5.05 0.00 2.80 2.93 0.00 0.00 6.90 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 0.00 262 G 8.52 4.60 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 0.00 0.00 0.00 263 V 7.99 3.44 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 1.05 0.00 0.00 0.94 0.00 0.00 264 G 8.24 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 265 M 7.91 4.10 0.00 2.42 2.26 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.74 0.00 266 L 8.29 3.91 0.00 1.42 1.56 0.86 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 267 V 7.95 3.35 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 0.72 0.00 0.00 0.86 0.00 0.00 268 Y 8.34 3.91 0.00 3.23 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 0.00 269 Q 8.66 4.30 0.00 2.44 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.73 0.00 270 G 7.95 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 271 A 8.00 3.54 0.24 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 0.00 0.00 272 L 8.08 4.19 0.00 1.90 1.78 1.05 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 273 A 7.60 3.48 0.71 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 0.00 274 F 8.22 3.81 0.00 2.93 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 0.00 275 E 8.56 4.35 0.00 2.38 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 0.00 2.41 2.38 0.00 276 K 7.65 3.96 0.00 1.62 1.71 0.00 1.40 0.00 0.00 0.89 0.00 0.00 2.71 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.43 7.81 277 W 7.89 4.65 0.00 3.35 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 0.00 278 T 8.30 4.45 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 0.94 0.00 0.00 279 G 8.67 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 0.00 280 Q 8.21 4.67 0.00 2.36 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 281 W 8.88 4.51 0.00 3.56 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 0.00 282 P 0.00 3.90 0.00 1.31 0.51 0.00 2.58 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.90 0.00 283 D 7.88 4.27 0.00 2.59 2.43 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 0.00 284 V 7.89 3.27 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 0.87 0.00 0.00 285 N 8.04 4.33 0.00 2.82 2.82 0.00 0.00 6.80 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 0.00 286 R 8.51 3.78 0.00 1.79 1.95 0.00 3.06 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 287 M 7.54 3.83 0.00 1.84 1.92 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.20 0.00 288 K 8.23 3.79 0.00 1.91 1.82 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.50 7.81 289 Q 8.13 3.91 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 290 L 7.92 3.92 0.00 1.77 1.62 0.88 0.64 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 0.00 291 V 7.89 3.45 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 0.93 0.00 0.00 0.84 0.00 0.00 292 I 8.20 3.63 1.84 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 1.39 1.13 0.90 0.00 0.00 293 E 7.93 3.88 0.00 2.02 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 2.32 2.34 0.00 294 A 7.66 4.14 1.37 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 0.00 0.00 295 L 8.20 4.10 0.00 1.86 1.79 1.04 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 296 R 7.61 4.33 0.00 1.92 1.83 0.00 3.19 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 * Residues marked with a * may have inaccurate shift predictions.