NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *29 F 4.6977 8.1833 119.0175 56.5468 39.9299 175.8622 30 M 4.1970 8.4777 123.5182 56.4958 31.6853 177.0966 31 Q 4.2976 8.8564 120.9876 58.7235 29.2959 176.8846 32 D 4.4150 8.0571 120.0888 56.7447 40.9510 178.4157 33 F 4.1432 8.1922 120.9334 60.8020 39.5544 176.6903 34 E 3.9568 8.7664 119.4331 59.5201 29.3817 178.5333 35 D 4.3682 7.8348 118.6607 57.5632 40.9693 178.6727 36 I 3.5181 7.4674 118.3011 64.3222 37.8587 177.9168 37 Q 4.1005 8.3087 118.9716 58.5940 28.4630 178.3005 38 K 3.9827 8.1660 120.7994 59.7307 31.9230 178.6556 39 D 4.4985 8.8070 119.7569 57.0988 40.6787 178.9128 40 I 3.7799 7.7249 120.6666 64.2944 37.1738 177.9487 41 E 4.0274 8.6442 120.2721 58.6971 29.2974 178.7319 42 Q 3.9221 7.5863 118.4262 59.2451 29.2374 177.6884 43 L 4.2687 7.5868 119.4339 57.8192 41.5361 179.3396 44 D 4.4104 8.2132 119.3742 56.8774 40.7959 178.5686 45 I 3.8675 7.5238 113.4426 63.6115 37.9077 178.1322 46 K 4.0594 8.7267 121.3597 58.6646 32.0383 178.2085 47 C 4.0854 7.7648 119.3222 62.2295 31.5247 175.1483 48 A 4.0478 8.0029 121.5043 55.2729 18.0684 178.6448 49 H 4.3891 8.3044 116.6281 59.0001 28.7559 176.9572 50 E 3.9944 8.1349 120.2202 58.4599 29.3356 177.6850 51 Q 3.9417 7.9425 116.4727 56.7102 29.1052 177.1690 52 M 4.0409 8.0026 120.8095 58.5885 32.6258 177.6852 53 N 4.5272 8.1063 115.8215 56.0821 38.6990 177.3903 54 I 3.7150 7.2314 121.2735 64.7951 37.2252 177.4261 55 Q 4.0606 7.8801 120.3182 59.3924 28.7305 178.3744 56 K 3.5674 9.0097 119.3433 59.9912 32.4298 178.9626 57 Q 3.8971 8.1397 119.4497 58.9758 28.6512 177.5589 58 Y 4.4819 7.5211 115.7941 59.9810 39.0293 177.2862 59 D 4.6595 9.1404 121.2360 57.3987 40.8678 178.1303 60 E 4.1369 8.5917 120.5199 59.1749 29.4266 178.8058 61 K 4.1518 7.5560 113.2892 57.6683 32.6530 177.8475 62 K 4.5126 8.2040 121.6910 57.5040 33.6170 178.1441 63 K 4.1345 7.7446 117.7036 59.8766 32.4546 176.9629 64 P 4.6714 0.0000 0.0000 65.0680 31.0727 178.4969 65 L 3.9331 7.7320 118.2920 57.4407 41.2418 178.8120 66 F 4.3294 8.4175 116.7265 58.9759 38.4841 175.4484 67 E 5.1719 7.9767 119.1025 56.6063 30.4609 177.7520 68 K 4.2177 7.6674 118.1698 58.0127 32.8780 177.7556 69 R 3.7618 7.5409 120.5068 59.6368 29.7538 178.3525 70 D 4.3509 7.7551 117.6763 57.0577 40.7684 178.2798 71 E 4.0076 8.5315 119.5392 58.1538 29.4374 177.1287 72 I 4.1132 6.7338 109.9507 61.8047 39.4879 175.8180 73 I 3.8239 7.9704 130.9297 62.7133 33.9284 174.5035 74 Q 3.5425 8.5915 124.1582 56.5079 26.3625 174.8367 75 K 4.4060 10.7598 118.2120 56.0138 34.2794 176.0141 76 I 4.3359 7.0761 118.1190 58.4992 38.2735 171.1534 77 P 4.1266 0.0000 0.0000 62.6192 31.1743 176.7296 78 G 4.0363 9.1175 114.9046 45.7749 0.0000 173.5838 79 F 3.8918 7.4819 120.1155 60.6738 39.2765 175.1761 80 W 4.3954 8.2646 118.4956 59.9980 28.9983 178.3934 81 A 4.0613 7.4576 119.3591 55.1878 17.7596 178.9656 82 N 4.5324 8.3346 114.7761 56.1415 38.8655 177.6323 83 T 3.8901 7.7034 116.7394 66.9923 68.3553 176.3724 84 L 4.0282 7.6610 118.9241 57.3583 41.6932 178.6713 85 R 4.2881 7.3611 115.8601 56.7563 30.1012 176.9760 86 K 4.4772 7.6476 116.6034 56.6646 34.1345 175.9759 87 H 3.5401 7.2940 118.0472 56.0802 29.9635 170.7987 88 P 4.2197 0.0000 0.0000 62.8503 29.8582 176.2347 89 A 4.4486 9.1420 128.3410 52.6931 18.4977 176.5265 *90 L 4.1339 8.7805 119.6018 55.5506 39.2854 172.2745 91 S 4.4016 8.0559 112.6611 60.7037 62.1434 174.1498 92 D 4.6236 7.8272 119.8760 53.2846 41.4231 176.8157 93 I 3.2819 8.4539 120.7434 62.7544 34.2548 173.4762 94 V 4.4404 6.7220 110.1754 57.6210 33.7725 174.1825 95 P 4.2076 0.0000 0.0000 63.2322 31.6499 177.5740 96 E 4.1500 8.7904 121.4721 59.3896 29.6158 178.3519 97 D 4.5457 7.9216 116.2317 55.6566 41.5381 178.1335 98 I 4.0279 8.2361 122.2678 64.4404 37.0867 177.7386 99 D 4.7646 8.0672 117.2670 55.4962 39.4693 177.7552 100 I 3.9109 7.0522 118.7336 64.6250 37.1902 177.8129 101 L 4.2967 7.9389 118.1115 57.2168 42.9333 176.9462 102 N 5.0196 8.2727 117.7514 54.6448 38.0078 176.0882 103 H 4.8688 8.0207 115.2426 53.7775 29.7964 172.0320 104 L 3.9764 8.0580 120.2284 54.1180 41.9992 177.4025 105 V 3.9185 8.7060 125.4799 65.6546 32.8170 175.5277 106 K 4.8564 7.7954 119.1573 55.1750 36.1390 174.4173 107 L 4.5474 8.5181 124.2249 53.3639 44.5284 174.4695 108 D 4.5151 8.4779 124.0417 52.5060 45.0085 175.5375 109 L 4.1309 7.2010 119.8159 55.1988 44.4510 177.0495 110 K 4.5574 7.4318 117.6978 56.6776 29.7373 174.0239 111 D 4.7031 8.2491 125.0852 54.4547 42.2432 176.1504 112 N 4.0529 8.4992 117.1114 54.3913 35.6329 173.2690 *119 Y 4.7185 7.1561 117.0175 56.6056 40.4332 175.7038 120 K 4.9612 8.3614 117.8535 55.3690 35.7210 175.4970 121 I 4.9369 8.5449 123.0399 60.0376 40.9506 174.7479 122 T 5.3303 8.3466 113.5495 60.7106 72.4888 172.4487 123 F 4.7466 10.1540 125.2250 55.8824 41.2946 174.5630 124 I 4.6967 8.1539 125.1717 60.0806 38.6628 175.2666 125 F 5.2657 9.1362 125.1187 54.8694 42.0325 177.0076 126 G 4.2160 8.6151 108.5841 45.7475 0.0000 174.5196 127 E 3.9364 8.3071 120.9082 53.2332 29.2560 175.9170 128 K 4.6498 7.0079 125.1473 56.1389 34.1219 174.8012 129 A 4.7107 8.8185 122.9966 49.4899 21.9539 176.7240 130 K 5.4592 8.0157 133.0286 57.6032 32.6926 173.3320 131 E 4.6330 8.0628 121.0721 56.7002 32.4931 177.8519 *132 F 3.6567 7.3383 118.2886 53.6348 42.0366 179.6170 133 M 4.7340 8.5697 109.1357 54.2313 34.1280 174.9195 134 E 4.2281 9.0242 119.7199 59.2855 30.5960 175.3146 135 P 5.3336 0.0000 0.0000 61.4061 32.9576 175.3456 136 L 4.8125 9.1357 123.8563 53.2311 45.0720 175.7426 137 T 5.1918 8.3538 119.1413 62.2012 73.0024 173.4824 138 L 4.6571 9.0190 126.4118 54.1654 43.9211 174.9635 139 V 3.9812 8.1212 124.3518 61.6805 32.6274 175.1615 140 K 4.4800 7.7835 121.9825 54.9364 31.2573 176.7527 141 H 4.2656 7.2551 116.6830 56.2136 29.8652 176.2681 142 V 4.8465 8.2899 120.1380 61.7542 35.0091 174.0718 143 T 4.3025 8.9538 121.6546 63.5666 70.2392 176.7097 *144 F 3.0698 8.4937 115.2354 57.5781 39.4974 172.0801 *149 E 4.2513 7.4603 129.1357 55.8416 30.5734 173.2180 150 K 4.8856 8.1816 124.0673 54.6958 35.6626 177.1763 151 V 3.7040 8.2324 125.5638 64.4853 32.6355 175.0495 152 V 3.6890 8.7412 117.8009 61.2112 31.1825 176.9577 *153 E 4.0069 9.3437 120.9403 55.7395 30.0216 175.5254 154 C 5.0622 7.7396 121.3364 59.3137 33.9366 173.8242 155 T 4.0607 7.6990 120.7942 63.1283 68.5933 175.0014 156 R 4.2254 8.1046 123.0810 56.0529 32.4232 178.5662 157 I 3.5152 8.1493 117.7171 60.6546 36.3313 177.6854 158 K 3.9669 9.0675 116.7185 56.1771 28.2850 175.8572 159 W 4.6421 7.4396 117.0586 56.5401 30.6091 177.7903 160 K 4.3519 8.9187 122.7152 55.6983 33.0321 176.1684 161 E 4.0068 8.7820 122.6354 58.1753 29.6048 178.1108 162 G 4.0166 9.2130 111.6430 45.4324 0.0000 174.5209 163 K 4.3916 7.5642 119.9541 58.4420 31.9187 175.3730 164 N 3.1400 8.4876 122.5397 53.0692 36.9197 171.0855 165 P 4.3175 0.0000 0.0000 64.2066 33.1235 175.8045 166 I 3.0603 7.4446 119.6202 61.2202 33.9996 174.7418 167 A 4.1928 7.7660 128.7012 52.0395 20.1156 179.0691 *182 K 4.3659 8.3825 116.9475 54.4013 33.5117 172.0636 183 W 4.7699 8.4815 118.5419 55.9896 30.4442 174.1519 184 S 4.3096 8.4631 112.1995 56.0066 63.4636 174.3874 185 I 2.3042 7.5578 128.2360 64.1374 37.4285 176.7943 186 F 4.6144 8.1382 116.5228 59.3362 38.8595 177.1150 187 E 4.3233 9.4817 120.1875 58.8626 29.0343 178.6694 188 W 4.3404 8.2903 127.9153 59.9026 30.8038 175.7048 189 F 4.4602 8.0778 117.2847 57.9715 39.9695 177.1465 190 T 4.5837 7.2240 121.4405 60.9531 67.2250 175.6888 191 T 5.1433 7.9245 128.0148 62.6032 68.9930 170.8203 192 D 4.7180 7.1844 120.8864 52.5491 41.3232 173.6157 193 E 3.1255 8.0702 112.6674 57.8868 29.4744 177.8170 194 L 3.5684 8.5307 117.3853 56.1210 41.2036 173.5248 195 Q 4.3203 7.9404 117.7227 56.6682 30.6608 176.0547 *196 D 5.1395 8.8409 122.8731 53.5002 38.9535 176.2529 197 K 3.5051 7.9437 119.7685 57.0557 32.4321 177.6982 198 P 3.5900 0.0000 0.0000 63.8716 31.8686 174.2762 199 D 4.4988 7.7547 117.4243 54.4883 39.3935 173.7304 200 V 3.3344 7.0836 122.0912 65.3616 31.6459 177.0440 201 G 3.5830 6.4400 104.7928 47.6284 0.0000 175.4329 202 E 3.9149 7.8255 120.0391 59.2581 29.4816 179.2091 203 L 3.6342 7.7454 118.4112 58.0063 41.7091 179.6099 204 I 3.6977 7.5603 119.2387 63.6443 36.7347 177.8145 205 R 4.1685 7.0785 116.6911 57.6943 30.3952 177.6853 206 R 4.2342 8.4822 116.9240 56.3284 30.0507 176.2440 207 E 5.2747 7.8994 126.0475 57.5033 31.0757 178.8045 208 I 4.0459 7.1755 121.8805 63.4346 37.5238 178.1851 209 W 4.4065 8.2165 128.7700 60.1998 30.8835 176.5696 210 H 4.3244 8.0661 116.6752 58.9013 29.3033 175.2970 211 N 4.7337 7.9010 123.7701 50.7954 38.5152 172.9449 212 P 4.9356 0.0000 0.0000 63.8294 31.4194 178.1797 213 L 4.2786 7.9352 118.7001 58.1044 41.8237 178.3647 214 S 4.2747 7.7357 112.4062 60.0804 62.9747 174.7264 215 Y 4.5000 7.3165 118.8516 59.7561 39.0779 176.7579 216 Y 4.2466 8.1441 119.3027 59.9676 38.9894 175.6743 217 L 4.1122 7.5853 123.6582 54.6847 41.9293 176.0905 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 *29 F 8.18 4.70 0.00 2.22 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 30 M 8.48 4.20 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.61 0.00 31 Q 8.86 4.30 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 32 D 8.06 4.42 0.00 2.88 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 33 F 8.19 4.14 0.00 3.27 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 34 E 8.77 3.96 0.00 2.39 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 2.33 2.43 0.00 35 D 7.83 4.37 0.00 2.75 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 36 I 7.47 3.52 2.05 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 1.48 1.31 0.88 0.00 0.00 37 Q 8.31 4.10 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.57 0.00 0.00 0.00 0.00 0.00 2.88 2.70 0.00 38 K 8.17 3.98 0.00 1.95 2.02 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.54 7.81 39 D 8.81 4.50 0.00 2.94 2.70 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 40 I 7.72 3.78 2.05 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 1.42 1.06 0.93 0.00 0.00 41 E 8.64 4.03 0.00 2.15 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 2.32 2.34 0.00 42 Q 7.59 3.92 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.52 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 43 L 7.59 4.27 0.00 1.87 1.73 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.21 4.41 0.00 2.97 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 I 7.52 3.87 1.88 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 1.59 0.69 1.00 0.00 0.00 46 K 8.73 4.06 0.00 1.80 1.86 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.46 7.81 47 C 7.76 4.09 0.00 3.13 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 48 A 8.00 4.05 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 49 H 8.30 4.39 0.00 3.28 3.39 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.13 3.99 0.00 2.28 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 51 Q 7.94 3.94 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 52 M 8.00 4.04 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 53 N 8.11 4.53 0.00 2.78 2.85 0.00 0.00 7.04 7.46 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 54 I 7.23 3.72 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.34 1.07 0.00 0.00 55 Q 7.88 4.06 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 56 K 9.01 3.57 0.00 1.78 1.89 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.60 7.81 57 Q 8.14 3.90 0.00 2.33 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.66 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 58 Y 7.52 4.48 0.00 3.22 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 59 D 9.14 4.66 0.00 2.89 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 60 E 8.59 4.14 0.00 2.16 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 0.00 2.33 2.34 0.00 61 K 7.56 4.15 0.00 2.05 1.89 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.75 1.65 7.81 62 K 8.20 4.51 0.00 2.33 2.26 0.00 1.94 0.00 0.00 1.78 0.00 0.00 3.18 0.00 0.00 3.48 0.00 0.00 0.00 0.00 1.37 1.64 7.81 63 K 7.74 4.13 0.00 2.08 2.09 0.00 1.67 0.00 0.00 1.80 0.00 0.00 3.15 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.77 1.50 7.81 64 P 0.00 4.67 0.00 2.30 2.38 0.00 3.89 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 2.09 1.94 0.00 65 L 7.73 3.93 0.00 1.63 1.47 0.85 1.19 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 66 F 8.42 4.33 0.00 3.32 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 67 E 7.98 5.17 0.00 2.19 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 2.39 2.65 0.00 68 K 7.67 4.22 0.00 1.78 2.06 0.00 1.10 0.00 0.00 1.45 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.52 1.31 7.81 69 R 7.54 3.76 0.00 1.77 2.10 0.00 3.46 0.00 0.00 3.46 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 70 D 7.76 4.35 0.00 2.63 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.53 4.01 0.00 1.83 1.71 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 2.23 2.28 0.00 72 I 6.73 4.11 1.11 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 1.64 0.86 -0.26 0.00 0.00 73 I 7.97 3.82 1.95 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 1.66 1.38 0.94 0.00 0.00 74 Q 8.59 3.54 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 75 K 10.76 4.41 0.00 1.58 1.71 0.00 1.57 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.31 7.81 76 I 7.08 4.34 1.56 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.43 0.76 0.00 0.00 77 P 0.00 4.13 0.00 2.13 2.07 0.00 3.87 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 2.07 2.18 0.00 78 G 9.12 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 79 F 7.48 3.89 0.00 2.94 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 W 8.26 4.40 0.00 3.39 3.10 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 81 A 7.46 4.06 1.46 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 82 N 8.33 4.53 0.00 2.91 2.92 0.00 0.00 7.03 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 83 T 7.70 3.89 4.16 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 1.29 0.00 0.00 84 L 7.66 4.03 0.00 1.63 1.72 0.89 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 85 R 7.36 4.29 0.00 1.96 1.94 0.00 3.23 0.00 0.00 3.25 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 86 K 7.65 4.48 0.00 1.99 1.90 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.60 7.81 87 H 7.29 3.54 0.00 2.65 3.09 0.00 5.62 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 88 P 0.00 4.22 0.00 2.07 2.04 0.00 3.39 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.21 0.00 89 A 9.14 4.45 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 *90 L 8.78 4.13 0.00 1.86 1.71 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.06 4.40 0.00 4.21 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 92 D 7.83 4.62 0.00 2.95 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 93 I 8.45 3.28 2.06 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.49 1.06 0.00 0.00 94 V 6.72 4.44 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 0.59 0.00 0.00 0.85 0.00 0.00 95 P 0.00 4.21 0.00 2.11 1.95 0.00 3.39 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 96 E 8.79 4.15 0.00 1.99 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 2.39 2.28 0.00 97 D 7.92 4.55 0.00 2.60 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 98 I 8.24 4.03 2.12 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.09 1.03 0.00 0.00 99 D 8.07 4.76 0.00 2.96 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 0.00 100 I 7.05 3.91 1.91 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 1.55 0.72 0.93 0.00 0.00 101 L 7.94 4.30 0.00 2.03 1.90 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 102 N 8.27 5.02 0.00 3.09 2.96 0.00 0.00 7.04 7.17 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 0.00 103 H 8.02 4.87 0.00 3.30 3.36 0.00 5.95 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.06 3.98 0.00 1.69 1.63 0.76 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.71 3.92 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 0.96 0.00 0.00 1.02 0.00 0.00 106 K 7.80 4.86 0.00 1.91 1.62 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.57 7.81 107 L 8.52 4.55 0.00 0.27 0.56 -0.43 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.48 4.52 0.00 2.67 2.26 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 0.00 109 L 7.20 4.13 0.00 0.48 0.13 0.68 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 110 K 7.43 4.56 0.00 1.79 1.71 0.00 1.50 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.47 7.81 111 D 8.25 4.70 0.00 2.66 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 0.00 112 N 8.50 4.05 0.00 2.84 2.86 0.00 0.00 6.93 7.46 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 *119 Y 7.16 4.72 0.00 3.08 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 0.00 120 K 8.36 4.96 0.00 1.78 1.73 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.38 7.81 121 I 8.54 4.94 2.26 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 1.40 1.15 1.10 0.00 0.00 122 T 8.35 5.33 4.34 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 1.23 0.00 0.00 123 F 10.15 4.75 0.00 3.12 2.87 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 0.00 0.00 0.00 124 I 8.15 4.70 1.89 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 1.30 0.69 0.99 0.00 0.00 125 F 9.14 5.27 0.00 2.89 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 0.00 126 G 8.62 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 0.00 0.00 0.00 127 E 8.31 3.94 0.00 1.99 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 2.34 2.39 0.00 128 K 7.01 4.65 0.00 1.98 1.86 0.00 1.61 0.00 0.00 1.86 0.00 0.00 3.13 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.25 1.33 7.81 129 A 8.82 4.71 1.19 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 0.00 0.00 0.00 0.00 0.00 130 K 8.02 5.46 0.00 2.05 2.10 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.24 1.23 7.81 131 E 8.06 4.63 0.00 1.76 1.65 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 1.47 1.47 0.00 *132 F 7.34 3.66 0.00 2.19 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 0.00 133 M 8.57 4.73 0.00 1.87 1.96 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 134 E 9.02 4.23 0.00 1.99 2.45 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 2.43 2.36 0.00 135 P 0.00 5.33 0.00 1.97 2.04 0.00 3.63 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 2.02 2.18 0.00 136 L 9.14 4.81 0.00 1.63 1.13 0.47 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 137 T 8.35 5.19 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 1.30 0.00 0.00 138 L 9.02 4.66 0.00 1.78 1.62 -0.48 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.12 3.98 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 0.83 0.00 0.00 0.94 0.00 0.00 140 K 7.78 4.48 0.00 0.79 0.90 0.00 1.56 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.01 0.75 7.81 141 H 7.26 4.27 0.00 3.17 3.39 0.00 5.40 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 8.29 4.85 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.94 1.44 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.75 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.74 1.51 7.81 164 N 8.49 3.14 0.00 2.39 2.45 0.00 0.00 6.66 7.69 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 0.00 165 P 0.00 4.32 0.00 2.09 1.92 0.00 3.56 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 166 I 7.44 3.06 1.78 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 1.17 0.60 0.86 0.00 0.00 167 A 7.77 4.19 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 *182 K 8.38 4.37 0.00 1.81 1.74 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 183 W 8.48 4.77 0.00 3.70 3.28 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 0.00 184 S 8.46 4.31 0.00 3.77 3.76 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 0.00 185 I 7.56 2.30 1.36 0.00 0.00 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 1.47 1.07 0.68 0.00 0.00 186 F 8.14 4.61 0.00 3.34 3.60 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 0.00 187 E 9.48 4.32 0.00 2.50 2.26 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 2.52 2.78 0.00 188 W 8.29 4.34 0.00 3.50 3.28 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 0.00 189 F 8.08 4.46 0.00 3.51 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 0.00 190 T 7.22 4.58 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 1.31 0.00 0.00 191 T 7.92 5.14 4.19 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 0.00 0.00 1.19 0.00 0.00 192 D 7.18 4.72 0.00 2.72 2.49 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 0.00 193 E 8.07 3.13 0.00 1.96 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 2.32 2.32 0.00 194 L 8.53 3.57 0.00 1.78 1.65 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 195 Q 7.94 4.32 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 5.59 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 *196 D 8.84 5.14 0.00 2.89 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 0.00 197 K 7.94 3.51 0.00 1.53 1.00 0.00 1.60 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.05 1.26 7.81 198 P 0.00 3.59 0.00 1.78 2.19 0.00 2.21 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.95 0.00 199 D 7.75 4.50 0.00 3.00 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 0.00 200 V 7.08 3.33 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.88 0.00 0.00 201 G 6.44 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 0.00 202 E 7.83 3.91 0.00 2.20 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 203 L 7.75 3.63 0.00 1.47 1.48 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 204 I 7.56 3.70 1.88 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 1.23 0.82 0.75 0.00 0.00 205 R 7.08 4.17 0.00 1.35 1.64 0.00 3.19 0.00 0.00 2.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.50 0.00 206 R 8.48 4.23 0.00 1.82 1.98 0.00 3.28 0.00 0.00 3.28 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 207 E 7.90 5.27 0.00 2.36 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 0.00 2.44 2.43 0.00 208 I 7.18 4.05 1.94 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.02 1.04 0.00 0.00 209 W 8.22 4.41 0.00 3.47 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 0.00 210 H 8.07 4.32 0.00 3.24 3.45 0.00 5.94 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 0.00 211 N 7.90 4.73 0.00 2.66 2.61 0.00 0.00 7.15 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 0.00 212 P 0.00 4.94 0.00 2.03 2.06 0.00 3.85 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.55 0.00 213 L 7.94 4.28 0.00 1.73 1.78 1.02 0.95 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 0.00 214 S 7.74 4.27 0.00 3.81 3.86 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 0.00 215 Y 7.32 4.50 0.00 3.21 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 0.00 216 Y 8.14 4.25 0.00 2.77 3.18 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 0.00 217 L 7.59 4.11 0.00 1.59 1.50 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.