NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 30 G 3.9098 8.2127 109.7296 45.0703 0.0000 174.1702 31 E 3.7236 8.7355 118.5383 58.8908 29.2974 177.2696 32 G 2.5437 8.6926 106.5124 47.5979 0.0000 175.1228 33 T 3.7258 7.5648 117.5221 66.4896 68.5909 176.2501 34 D 4.2285 8.0229 120.5274 57.2410 40.8032 178.8356 35 A 3.6689 7.6605 121.3713 55.1099 18.1746 179.6081 36 I 3.5445 7.5592 117.3129 64.0090 38.0090 177.9785 37 Q 3.9386 8.1276 118.9437 58.9768 28.5284 178.8469 38 A 3.9805 7.8748 121.6197 55.0677 18.3342 179.6724 39 L 3.7709 7.9205 117.5613 57.8254 41.5294 179.8370 40 I 4.1478 8.2029 120.0373 64.6670 37.0809 178.4100 41 Q 4.0896 8.3333 118.6507 59.0548 28.5805 178.8770 42 A 4.0626 8.3136 121.7486 55.2446 18.4081 179.0246 43 Y 4.3143 8.6559 118.1761 61.2007 38.9560 178.4378 44 F 4.0945 9.0817 118.7812 60.7385 38.9862 177.8419 45 T 3.9272 8.4294 115.2995 66.6324 68.2371 176.4512 46 A 3.7068 7.9714 122.6001 54.6899 18.3397 179.4500 47 W 3.8227 8.1207 126.6643 60.8844 30.6752 178.1526 48 N 4.6731 8.7313 115.5418 55.5686 38.0334 176.5349 49 T 4.3148 7.8001 109.1074 60.1355 70.2415 174.3103 50 N 3.8676 7.6735 117.0713 55.2574 37.1710 175.2860 51 A 4.9408 8.0505 119.4916 48.9831 19.4358 176.0327 52 P 3.9759 0.0000 0.0000 64.3786 31.9978 178.0920 53 E 4.1101 8.0556 116.9820 58.3188 29.2594 177.8640 54 R 4.5609 7.5347 117.8493 56.7815 30.8914 177.8208 55 F 4.7197 7.9168 118.7225 60.4243 38.9569 177.1799 56 A 4.2227 8.2797 120.3404 55.3033 17.9848 179.1817 57 E 4.1333 8.3229 114.1332 58.3008 29.9305 177.4792 58 I 4.1131 7.8900 112.7866 60.2929 38.1341 174.8221 59 F 5.2902 7.9619 119.2828 55.4476 42.0681 175.2866 60 W 4.7187 8.8334 123.9060 55.9826 29.7493 175.8925 61 P 4.4433 0.0000 0.0000 65.7042 30.9534 177.5356 62 D 5.0468 8.3185 115.7239 53.2940 39.7009 176.4102 63 G 4.3832 8.3179 108.1820 47.2268 0.0000 172.8546 64 S 5.5363 9.2925 114.0810 57.0825 67.3434 172.4850 65 W 5.4607 9.1790 128.4941 56.3109 34.7498 173.2942 66 V 4.4308 7.8047 124.9726 61.1246 34.1711 175.0256 67 N 5.0792 8.0693 125.7335 51.5623 39.7359 176.1188 68 V 3.8573 8.5022 110.4328 63.3885 31.6425 177.6434 69 V 4.0593 7.9021 111.3057 60.4869 31.6449 172.8506 70 G 3.4051 7.8811 114.6671 45.3055 0.0000 173.0192 *72 H 4.5384 8.3677 124.7515 55.4021 30.9684 172.1608 73 W 5.3081 9.1716 126.5085 55.1531 31.5481 175.2979 74 R 4.7838 9.6817 124.4001 56.0513 31.6548 176.8172 75 G 4.1685 9.2111 110.1905 45.9200 0.0000 173.7830 76 R 3.8422 8.8548 121.0282 59.4371 29.9270 178.9124 77 D 4.3451 8.0965 118.1139 57.4462 40.8114 178.6366 78 Q 3.8650 7.9841 117.9789 58.8656 28.7636 178.5425 79 I 3.4842 7.5103 120.4919 64.4401 37.0555 178.7139 80 V 3.3306 7.7501 119.0730 65.7297 31.3516 177.7159 81 F 3.7233 8.2845 120.4524 61.1770 39.2292 177.0423 82 A 3.3795 7.6093 120.3100 55.0970 17.9085 179.2029 83 H 3.8238 7.6360 114.7299 59.2296 28.7780 178.1430 84 T 3.6830 7.8558 117.3135 66.4422 68.3441 176.4883 85 A 3.6002 7.4023 122.5231 55.2233 18.2446 179.7555 86 F 4.5116 7.7477 117.3688 59.8127 38.9990 178.1115 87 L 3.8271 8.0088 118.5638 57.2408 41.0620 179.4671 88 K 4.0528 7.7624 118.0194 56.6394 32.5046 177.7623 89 T 4.1560 7.6645 105.4393 61.5958 69.0937 176.2834 90 I 3.7457 8.9262 115.1489 62.7526 38.7807 177.5873 91 F 5.1164 8.0707 118.6357 56.8478 39.0556 177.4997 92 K 4.2746 7.9295 122.1988 58.8930 32.2283 177.5382 93 D 4.7519 8.1144 115.8966 53.8031 41.2196 175.4263 94 C 4.6136 8.0058 120.9449 57.8810 31.2612 173.2491 95 K 4.8181 8.7399 126.9091 56.1584 33.4067 176.0878 96 Q 5.1009 9.3304 121.9024 54.1278 31.8595 174.8416 97 E 4.7434 9.0669 122.7213 54.1688 32.7822 174.8103 98 L 4.0305 8.5718 127.4101 55.3230 41.8369 176.1501 99 V 4.2877 8.7273 123.7022 64.2327 32.8376 175.7638 100 T 4.7404 7.5485 109.1240 60.0439 72.4786 172.0627 101 I 4.5341 8.3112 123.7166 59.8923 39.8986 175.3149 102 E 4.5342 9.1724 128.0674 54.5814 29.8882 174.4280 103 A 5.3089 8.1962 125.2952 50.2316 21.5871 175.7286 104 R 4.6552 8.7782 116.0028 55.2576 33.4910 174.3328 105 T 4.6934 8.4828 117.7492 63.1820 69.2318 174.9035 106 I 4.2524 8.2355 118.9243 61.2483 39.2996 175.2006 107 A 4.4746 7.4593 121.7551 50.3856 21.5954 173.4813 108 P 4.4816 0.0000 0.0000 64.3389 31.7486 177.2820 109 G 3.6471 9.5025 110.5369 45.4131 0.0000 172.2011 110 S 5.4014 8.6554 115.3897 56.5929 66.8502 172.9179 111 A 5.3111 9.6872 126.4175 49.9607 22.2766 174.2899 112 L 5.2363 9.1543 123.5913 53.1248 45.2353 175.0280 113 A 5.1939 9.2805 127.4240 50.0841 22.7018 174.8518 114 V 4.5270 8.6604 121.6294 61.2583 33.7427 174.4500 115 V 4.7174 8.9136 128.9126 61.5367 33.8559 174.2971 116 T 5.1775 8.7721 124.7995 61.8141 70.6318 173.5740 117 L 5.2876 8.7843 125.6161 54.0783 44.9692 175.1466 118 I 4.6875 8.7065 120.8362 59.6849 39.5586 174.4621 119 Q 4.9441 8.9233 129.1052 54.1825 31.0139 174.8434 120 D 4.9537 8.8152 125.6872 54.0526 41.7214 176.1942 121 A 4.4284 8.5861 122.3266 53.0324 19.1808 176.1597 122 Y 4.8217 7.9546 116.2253 56.3007 40.8145 173.8551 123 V 4.4709 8.2106 119.7266 60.8462 33.8283 175.3433 124 T 4.2864 8.5076 117.3006 60.6246 69.4514 173.5753 125 P 4.1754 0.0000 0.0000 66.1821 31.3745 177.7693 126 D 4.7261 8.1719 114.8227 53.0050 39.7007 180.1456 127 G 3.9923 8.3331 107.0905 46.4466 0.0000 174.1996 128 R 4.1254 8.0323 119.8327 55.2493 30.7469 176.9313 129 Q 4.4023 8.2338 124.1164 54.4814 30.6601 172.5260 *131 P 4.1652 0.0000 0.0000 61.8680 32.2049 175.9505 132 R 4.3361 8.3857 119.1224 57.4566 30.4160 175.2649 133 A 4.7520 8.7031 125.6826 51.1565 23.4649 174.9449 134 H 4.9671 8.9175 116.4279 55.8022 30.4057 174.4577 135 D 5.3829 9.0919 121.6576 52.4905 44.7895 175.2593 136 R 4.7723 9.0074 121.9708 54.6908 32.6343 174.0881 137 L 4.9719 8.8865 129.8099 53.4802 44.7586 175.2524 138 T 4.7381 8.7225 124.0900 62.9239 70.1742 173.9081 139 L 5.0153 8.9233 125.5258 52.6860 45.9344 175.1516 140 L 5.3664 9.0592 124.6376 53.2223 45.1066 174.8249 141 A 5.6305 9.4698 127.6714 50.4082 22.4574 175.2416 142 V 5.0233 9.0744 113.6989 59.5843 36.1488 174.1632 143 E 4.5515 8.4762 124.7925 54.5877 31.3352 175.2298 144 R 4.3823 8.8308 125.5901 55.5329 33.5292 175.2233 145 E 3.8002 9.8243 122.4156 57.4989 27.0817 175.7816 146 G 4.0726 8.4414 104.4043 44.4100 0.0000 173.8611 147 V 4.5936 7.7038 119.8725 60.7326 34.4209 174.1405 148 W 5.4924 8.9582 126.6896 55.3842 31.1098 175.4081 149 R 4.3641 8.7657 121.2841 54.0837 34.7700 174.4091 150 F 5.0739 8.4533 119.7853 58.1390 39.6217 176.0993 151 I 4.7217 9.3216 122.0534 61.9610 40.6030 174.3805 152 H 6.0642 7.6348 118.9644 56.3198 33.1734 172.5583 153 G 3.3224 8.0655 110.0678 44.4891 0.0000 170.9142 154 H 4.7583 8.1572 121.0408 54.5209 33.2779 171.6645 155 N 5.4268 8.7784 124.3302 52.1879 42.1991 173.1862 156 T 4.8242 8.3829 119.9156 61.8534 73.3065 173.2321 157 I 4.4206 8.3679 126.3104 61.0619 38.1869 175.7120 158 V 3.8068 8.6492 127.9686 62.4220 32.2774 175.0691 159 N 4.6358 8.7712 127.3712 51.9038 39.0617 173.6534 160 P 4.3771 0.0000 0.0000 65.3733 31.8400 178.2061 161 D 4.3880 8.4092 118.2143 56.2941 41.1328 177.0425 162 A 4.3146 7.9281 120.9883 53.2402 19.9019 179.1678 163 A 4.0198 7.6306 118.7962 55.4602 18.4841 179.5232 164 N 4.4643 8.0820 111.3467 55.7387 38.7620 175.3912 165 N 4.6976 7.9378 114.7964 52.9976 38.9474 174.9582 166 D 4.3774 7.9596 119.8415 53.8473 42.0231 175.2788 167 P 4.3262 0.0000 0.0000 65.4859 31.2117 178.8588 168 V 3.7647 7.7939 110.2374 63.6774 31.4506 178.0181 169 L 4.2326 7.6763 117.9882 56.0367 42.5487 177.9441 170 R 4.1856 7.4258 116.8297 54.1517 28.1834 176.3577 *172 K 4.0264 7.9818 126.3552 57.4003 32.3085 175.2523 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 30 G 8.21 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 31 E 8.74 3.72 0.00 2.20 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 2.41 2.49 0.00 32 G 8.69 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 0.00 0.00 0.00 33 T 7.56 3.73 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 1.14 0.00 0.00 34 D 8.02 4.23 0.00 2.67 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 35 A 7.66 3.67 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.56 3.54 1.77 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.95 0.00 0.00 37 Q 8.13 3.94 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 38 A 7.87 3.98 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 39 L 7.92 3.77 0.00 1.38 0.52 0.49 0.28 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 40 I 8.20 4.15 2.10 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 1.72 1.08 0.95 0.00 0.00 41 Q 8.33 4.09 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 42 A 8.31 4.06 1.42 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 43 Y 8.66 4.31 0.00 3.55 3.57 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 44 F 9.08 4.09 0.00 3.29 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 45 T 8.43 3.93 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 1.21 0.00 0.00 46 A 7.97 3.71 0.61 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 0.00 0.00 47 W 8.12 3.82 0.00 3.40 3.07 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 0.00 0.00 0.00 48 N 8.73 4.67 0.00 2.93 2.98 0.00 0.00 7.10 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 49 T 7.80 4.31 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 1.26 0.00 0.00 50 N 7.67 3.87 0.00 2.79 2.76 0.00 0.00 6.62 6.87 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 51 A 8.05 4.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 3.98 0.00 2.27 2.33 0.00 3.62 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 53 E 8.06 4.11 0.00 2.13 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 2.28 2.28 0.00 54 R 7.53 4.56 0.00 1.59 1.87 0.00 3.26 0.00 0.00 3.15 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.65 0.00 55 F 7.92 4.72 0.00 3.20 3.04 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 56 A 8.28 4.22 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.32 4.13 0.00 2.12 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 2.49 2.35 0.00 58 I 7.89 4.11 1.60 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.12 0.86 0.00 0.00 59 F 7.96 5.29 0.00 3.15 3.15 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 60 W 8.83 4.72 0.00 3.61 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 61 P 0.00 4.44 0.00 2.31 2.23 0.00 4.00 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 62 D 8.32 5.05 0.00 2.87 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.32 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.29 5.54 0.00 4.19 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 65 W 9.18 5.46 0.00 3.66 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 66 V 7.80 4.43 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 0.60 0.00 0.00 0.73 0.00 0.00 67 N 8.07 5.08 0.00 2.96 2.76 0.00 0.00 6.25 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 68 V 8.50 3.86 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 0.90 0.00 0.00 1.06 0.00 0.00 69 V 7.90 4.06 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 0.73 0.00 0.00 1.05 0.00 0.00 70 G 7.88 3.41 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 0.00 *72 H 8.37 4.54 0.00 3.10 3.23 0.00 5.72 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 W 9.17 5.31 0.00 3.55 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 74 R 9.68 4.78 0.00 1.68 1.89 0.00 3.16 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 75 G 9.21 4.17 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 0.00 0.00 0.00 76 R 8.85 3.84 0.00 2.20 2.02 0.00 3.44 0.00 0.00 3.52 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 77 D 8.10 4.35 0.00 2.71 2.68 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 0.00 0.00 0.00 0.00 78 Q 7.98 3.86 0.00 2.40 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 79 I 7.51 3.48 1.59 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.84 0.09 0.00 0.00 80 V 7.75 3.33 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 1.07 0.00 0.00 0.92 0.00 0.00 81 F 8.28 3.72 0.00 3.10 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 82 A 7.61 3.38 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 H 7.64 3.82 0.00 2.99 2.98 0.00 5.82 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 84 T 7.86 3.68 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 0.99 0.00 0.00 85 A 7.40 3.60 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 86 F 7.75 4.51 0.00 3.12 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 87 L 8.01 3.83 0.00 1.56 1.47 0.72 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 88 K 7.76 4.05 0.00 2.06 1.76 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.31 7.81 89 T 7.66 4.16 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 1.14 0.00 0.00 90 I 8.93 3.75 1.83 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.36 0.92 0.00 0.00 91 F 8.07 5.12 0.00 2.94 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 92 K 7.93 4.27 0.00 1.84 2.00 0.00 1.55 0.00 0.00 1.53 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.38 7.81 93 D 8.11 4.75 0.00 2.73 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 94 C 8.01 4.61 0.00 3.25 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.74 4.82 0.00 1.91 1.81 0.00 1.78 0.00 0.00 1.94 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.61 1.49 7.81 96 Q 9.33 5.10 0.00 1.30 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.61 0.00 0.00 0.00 0.00 0.00 1.90 1.41 0.00 97 E 9.07 4.74 0.00 2.05 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 2.18 2.27 0.00 98 L 8.57 4.03 0.00 1.30 1.32 0.46 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.73 4.29 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 0.79 0.00 0.00 0.90 0.00 0.00 100 T 7.55 4.74 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 1.19 0.00 0.00 101 I 8.31 4.53 1.81 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 1.26 0.57 0.88 0.00 0.00 102 E 9.17 4.53 0.00 1.99 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 2.21 2.20 0.00 103 A 8.20 5.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 R 8.78 4.66 0.00 1.84 1.98 0.00 2.77 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 105 T 8.48 4.69 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 1.41 0.00 0.00 106 I 8.24 4.25 1.90 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 1.43 0.68 0.94 0.00 0.00 107 A 7.46 4.47 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 0.00 108 P 0.00 4.48 0.00 2.06 2.06 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 109 G 9.50 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 0.00 110 S 8.66 5.40 0.00 3.96 3.84 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 0.00 111 A 9.69 5.31 1.17 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 0.00 0.00 112 L 9.15 5.24 0.00 1.77 1.51 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 113 A 9.28 5.19 1.20 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 0.00 0.00 0.00 114 V 8.66 4.53 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 0.88 0.00 0.00 0.89 0.00 0.00 115 V 8.91 4.72 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 0.94 0.00 0.00 0.91 0.00 0.00 116 T 8.77 5.18 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 1.27 0.00 0.00 117 L 8.78 5.29 0.00 1.95 1.85 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.71 4.69 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.45 0.93 0.00 0.00 119 Q 8.92 4.94 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.18 0.00 120 D 8.82 4.95 0.00 2.76 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 0.00 121 A 8.59 4.43 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 0.00 122 Y 7.95 4.82 0.00 3.32 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 0.00 123 V 8.21 4.47 2.12 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 0.89 0.00 0.00 0.95 0.00 0.00 124 T 8.51 4.29 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 1.29 0.00 0.00 125 P 0.00 4.18 0.00 2.13 2.23 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 126 D 8.17 4.73 0.00 2.69 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.33 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 0.00 128 R 8.03 4.13 0.00 1.86 1.82 0.00 3.11 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 129 Q 8.23 4.40 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.61 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 *131 P 0.00 4.17 0.00 2.24 2.06 0.00 3.76 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.94 0.00 132 R 8.39 4.34 0.00 1.89 1.93 0.00 3.30 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 133 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 0.00 134 H 8.92 4.97 0.00 3.14 3.24 0.00 5.77 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 D 9.09 5.38 0.00 2.53 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 R 9.01 4.77 0.00 1.84 1.73 0.00 3.06 0.00 0.00 3.08 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 137 L 8.89 4.97 0.00 1.83 1.43 0.62 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 138 T 8.72 4.74 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 1.14 0.00 0.00 139 L 8.92 5.02 0.00 1.44 1.30 0.65 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 140 L 9.06 5.37 0.00 1.80 1.61 1.07 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 141 A 9.47 5.63 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 0.00 0.00 0.00 0.00 0.00 142 V 9.07 5.02 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 0.91 0.00 0.00 1.04 0.00 0.00 143 E 8.48 4.55 0.00 1.16 1.12 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 1.75 1.47 0.00 144 R 8.83 4.38 0.00 1.10 1.33 0.00 2.21 0.00 0.00 2.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.93 0.00 145 E 9.82 3.80 0.00 2.11 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 2.15 2.21 0.00 146 G 8.44 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 147 V 7.70 4.59 2.48 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 1.03 0.00 0.00 1.08 0.00 0.00 148 W 8.96 5.49 0.00 3.12 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 0.00 149 R 8.77 4.36 0.00 0.67 1.12 0.00 2.21 0.00 0.00 2.77 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 0.00 150 F 8.45 5.07 0.00 2.37 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 9.32 4.72 2.25 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.55 1.18 0.00 0.00 152 H 7.63 6.06 0.00 3.36 3.15 0.00 5.90 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 0.00 153 G 8.07 3.32 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 0.00 154 H 8.16 4.76 0.00 2.91 2.84 0.00 5.55 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 N 8.78 5.43 0.00 2.77 2.58 0.00 0.00 6.51 6.58 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 0.00 156 T 8.38 4.82 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 1.20 0.00 0.00 157 I 8.37 4.42 1.90 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.52 1.00 0.00 0.00 158 V 8.65 3.81 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 0.67 0.00 0.00 0.97 0.00 0.00 159 N 8.77 4.64 0.00 2.76 2.69 0.00 0.00 6.95 7.71 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 0.00 160 P 0.00 4.38 0.00 2.25 2.28 0.00 3.75 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 161 D 8.41 4.39 0.00 2.82 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 0.00 162 A 7.93 4.31 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 A 7.63 4.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 N 8.08 4.46 0.00 2.72 2.89 0.00 0.00 6.87 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 N 7.94 4.70 0.00 2.83 2.82 0.00 0.00 6.91 7.64 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 0.00 166 D 7.96 4.38 0.00 2.82 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 0.00 167 P 0.00 4.33 0.00 2.19 2.08 0.00 3.64 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 168 V 7.79 3.76 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 0.72 0.00 0.00 0.96 0.00 0.00 169 L 7.68 4.23 0.00 1.71 1.73 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 170 R 7.43 4.19 0.00 1.93 1.95 0.00 3.09 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 *172 K 7.98 4.03 0.00 1.76 1.77 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.