NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.6008 0.0000 0.0000 62.3053 33.7939 175.2146 5 Y 5.9718 7.8885 118.9385 54.2187 41.5846 172.7981 6 I 4.5222 8.5402 122.4227 59.7435 40.0180 175.7301 7 L 4.7429 8.7608 130.0667 55.1118 43.4778 175.7971 8 V 4.8006 8.9534 127.2360 61.2281 32.4324 172.5180 9 L 5.4044 9.1046 129.5269 53.3103 43.9760 174.4839 10 Y 5.9075 8.4785 122.6016 56.2530 41.9209 172.7914 11 Y 4.8217 8.5244 120.7092 55.9562 41.5712 174.7804 12 S 4.4067 7.1559 118.2533 56.8767 65.8640 173.0842 13 R 4.1127 8.5386 126.9076 58.1985 30.7123 177.5453 14 H 4.8592 8.0235 112.4189 55.4549 29.5331 175.6754 15 G 3.9904 8.0396 110.1698 46.1103 0.0000 176.5652 16 A 3.9307 8.0354 121.3966 55.7970 18.2750 179.7073 17 T 3.9774 7.9322 113.4144 66.5015 68.6087 176.6589 18 A 3.2464 7.9814 122.3998 54.8929 18.3851 179.1368 19 E 3.7282 8.0968 117.6059 59.7516 29.6779 178.9111 20 M 3.8782 7.7850 117.9729 58.1272 31.8669 178.5532 21 A 3.5441 7.9354 121.1183 55.1056 18.6050 179.7850 22 R 3.7685 7.5713 116.3463 59.5804 30.2721 179.3516 23 Q 3.9184 7.8831 117.6198 58.9554 28.6808 178.8936 24 I 3.7205 7.7518 120.8317 64.2316 37.0747 178.0199 25 A 3.9890 8.1379 121.9231 55.4029 18.1222 179.9341 26 R 3.9155 8.0105 116.0221 59.4726 30.1065 179.3332 27 G 3.9546 7.7773 105.3269 48.0051 0.0000 175.6752 28 V 3.7583 7.7959 120.8386 65.7342 31.5986 177.7315 29 E 4.8944 8.5398 119.8547 58.9070 29.1786 178.7356 30 Q 4.4190 8.0033 114.0378 56.9569 28.9983 177.0734 31 G 4.0632 8.2217 107.3213 44.7636 0.0000 174.5005 32 G 4.0331 8.5268 109.0631 44.9360 0.0000 173.2023 33 F 4.9739 7.9036 116.8538 55.0821 43.7082 173.6405 34 E 4.6760 9.3250 119.3509 55.8495 31.3688 175.0505 35 A 4.9869 8.6279 124.5783 50.6575 20.8513 176.4170 36 R 4.3187 8.9018 124.6806 54.9900 30.9952 174.7943 37 V 4.7049 8.2098 126.5691 62.1732 32.8148 175.2764 38 R 4.9194 9.1735 125.6356 55.2467 35.1790 174.1539 39 T 5.3711 8.7127 116.9530 59.3795 70.9386 172.5669 40 V 4.7357 7.9394 113.3532 58.6214 35.2720 174.2941 41 P 4.1167 0.0000 0.0000 61.7970 32.0386 176.1435 42 A 4.0223 8.5509 123.8476 52.9127 18.7802 177.0289 43 V 4.3507 7.5821 112.4632 59.8447 34.8044 175.0291 44 S 4.4805 7.6784 114.5355 58.5772 64.9373 174.7392 45 T 4.4179 8.2401 109.0285 61.7761 69.0170 175.0907 *58 G 3.9801 8.3360 111.0319 45.5157 0.0000 173.2275 59 A 4.3905 7.2163 119.0193 50.3458 21.9449 175.3298 60 L 4.0153 7.9381 121.4044 55.0805 43.4392 175.8589 61 Y 5.1050 7.9817 121.1983 58.0150 38.5972 175.5939 62 A 4.6170 8.7481 125.5411 51.9267 19.4944 176.6887 63 T 4.9399 9.3388 109.5224 58.9269 72.1730 175.2085 64 L 4.0772 8.5170 120.8824 57.8088 41.3263 179.6959 65 E 4.0361 8.3144 118.9940 59.4459 29.1634 178.7840 66 D 4.6832 7.6710 119.1680 56.7791 41.1305 178.8620 67 L 4.2084 7.9922 118.7841 57.8166 41.6961 178.9118 68 K 3.8878 8.1011 118.3878 59.2729 32.1067 177.4247 69 N 4.8758 8.0679 113.2599 52.0877 39.1463 174.8819 70 C 3.0999 7.2120 115.4019 57.6899 30.3690 173.4780 71 A 4.2478 7.9398 122.9534 51.9140 19.4193 177.1444 72 G 3.9861 6.8931 103.0190 46.1831 0.0000 171.7522 73 L 5.3614 8.0454 120.6905 53.4299 46.0849 174.1305 74 A 5.4308 9.4531 127.9469 50.1081 21.7553 174.7691 75 L 5.0988 9.1668 125.1836 53.1666 44.9290 175.4764 76 G 3.5331 8.6650 112.5931 44.7861 0.0000 171.1823 77 S 5.2159 7.9794 116.2077 55.8588 66.0491 171.5561 78 P 4.8806 0.0000 0.0000 62.9350 32.1323 175.7392 79 T 4.0321 8.7895 118.1245 62.1801 68.0119 174.1318 80 R 4.1193 8.9435 129.2253 54.8629 31.1590 175.8573 81 F 3.9515 9.2486 123.2429 58.3633 36.5907 177.0656 82 G 4.0111 8.1589 108.4898 45.2836 0.0000 173.2288 83 N 5.0063 7.8918 116.4002 50.8509 42.3126 173.5773 84 M 4.5702 8.2861 116.6796 54.6388 32.3712 176.4491 85 A 4.2107 8.8682 121.9281 51.7830 20.4163 179.0825 86 S 4.0821 8.4289 117.5773 60.9348 63.0574 175.1752 87 P 4.1253 0.0000 0.0000 65.0350 30.9492 178.2956 88 L 3.9869 7.5639 118.7137 58.1030 42.2279 178.4016 89 K 3.8377 8.0782 119.6425 60.0684 31.7870 177.8741 90 Y 4.2071 8.1899 118.7570 60.5682 39.0168 177.5784 91 F 4.0290 7.9629 121.8575 61.1492 39.5515 177.2589 92 L 3.9173 8.1329 118.6885 57.7855 41.2191 178.9428 93 D 4.5025 8.4806 118.4185 56.7104 40.7009 177.9413 94 G 3.9146 7.1409 104.9654 44.7136 0.0000 174.0573 95 T 4.4971 7.3372 108.5980 60.9109 69.5439 175.6906 96 S 4.1271 8.3233 120.7195 62.5200 62.6963 176.4093 97 S 4.1408 8.0917 114.8137 61.5438 62.1656 176.1346 98 L 4.0249 7.9210 121.0512 57.3967 41.3378 178.8596 99 W 4.1554 8.5259 128.5357 60.7612 30.3462 177.3815 100 L 3.8757 8.5094 119.2909 58.4472 41.7378 178.6585 101 T 3.9864 8.0306 109.1425 62.0070 69.5383 173.7102 102 G 3.4571 7.4585 109.2283 46.6082 0.0000 173.1162 103 S 4.3639 7.9637 114.0974 57.6803 64.2204 174.7654 104 L 3.8053 8.5180 120.5268 55.4878 40.4891 175.3376 105 V 3.7937 7.6059 118.3293 64.7161 31.4946 175.9122 106 G 4.0450 8.9203 116.2774 45.1707 0.0000 173.5224 107 K 4.4431 7.9511 119.9511 54.9751 33.7512 175.0622 108 P 5.0081 0.0000 0.0000 63.0709 32.9896 174.8848 109 A 5.7447 9.5529 121.8386 50.5822 23.0988 174.9078 110 A 5.0034 8.5160 119.6961 50.6965 23.2391 175.4252 111 V 5.2441 8.3701 111.5798 59.8884 36.0438 174.5658 112 F 5.2754 8.6913 115.6424 56.5547 41.3906 173.0531 113 T 5.7461 9.2783 114.1181 60.7892 71.3448 172.1895 114 S 5.3275 8.7342 119.7691 56.8622 65.9887 172.4473 115 T 5.0153 8.9544 118.9479 60.4586 70.2557 174.3226 116 A 4.3640 8.8519 128.1628 53.5642 19.9044 177.3994 117 S 5.1413 7.9608 107.8156 55.9855 66.2302 174.0655 118 L 3.4068 8.1008 120.9783 57.6980 41.7720 178.0650 119 H 4.9262 7.7318 111.7206 54.5227 28.6521 173.6814 120 G 3.9299 7.9418 103.6709 45.2434 0.0000 172.1551 121 G 3.6681 7.9731 106.4117 46.4796 0.0000 174.9401 122 Q 4.1062 7.8197 121.1830 58.9430 29.7093 177.7422 123 E 4.5958 8.5563 120.6938 59.2352 29.5203 179.5901 124 T 3.8395 7.8647 109.0223 65.1129 69.0949 176.5499 125 T 4.1663 7.4744 119.0916 65.8427 68.2864 176.7233 126 Q 3.9856 8.6815 120.3452 58.7344 28.5798 177.9303 127 L 3.7733 8.1369 120.7161 58.5385 42.4563 179.1502 128 S 4.2211 8.4625 114.0469 61.5712 61.4187 176.0662 129 M 4.2484 7.8977 121.7331 57.6709 31.8391 178.4790 130 L 4.2307 7.9924 119.1793 57.4005 41.6634 179.0858 131 L 4.0150 7.5624 118.4376 57.1540 41.5418 177.2655 132 P 4.2258 0.0000 0.0000 66.4137 30.9055 178.2186 133 L 4.0658 7.5085 116.1064 57.5373 41.5044 179.5305 134 L 4.0836 8.2181 118.9434 57.9754 41.2794 179.2307 135 H 4.3638 8.2351 115.7559 58.8621 28.7257 176.6008 136 H 4.7350 8.5413 115.4648 55.1448 28.9810 175.3911 137 G 3.9036 8.1464 109.5181 46.8367 0.0000 174.1006 138 M 4.8183 8.0820 119.0416 54.6947 33.7275 175.9129 139 L 4.6246 8.6675 120.0107 53.5849 43.3583 176.5615 140 V 4.9787 8.4049 117.7036 59.9186 33.4893 175.4962 141 L 4.7306 8.6709 123.1784 54.1050 43.3168 176.5648 142 G 4.8364 8.5617 107.6237 45.7571 0.0000 172.6110 143 I 4.5716 8.0152 124.2277 58.7375 39.2537 173.7619 144 P 4.3528 0.0000 0.0000 63.7172 31.7158 175.7239 145 Y 3.5766 8.7899 115.8883 58.8077 38.6832 171.4470 *156 G 4.2662 7.1135 106.1379 46.9948 0.0000 168.6795 157 G 3.9641 8.4880 117.8884 45.5598 0.0000 172.7355 158 T 4.6589 8.4223 113.5370 59.0308 72.1584 172.8544 159 P 4.1822 0.0000 0.0000 64.2574 31.3188 177.8268 160 Y 4.4626 7.5357 114.8266 57.6384 38.5368 175.6868 161 G 4.2441 6.8344 106.4728 44.6195 0.0000 170.6974 162 A 4.8040 8.0253 121.5155 51.1678 20.1238 176.8999 163 S 5.9564 8.7736 115.5680 55.7917 66.8903 172.2393 164 H 5.4139 8.8178 120.6154 54.4694 32.9505 171.7734 165 F 5.2958 8.9892 127.6810 56.9859 39.6964 175.1965 166 A 4.2198 9.0935 127.9829 50.6194 20.7209 175.0554 167 G 3.9624 6.9766 106.1473 44.3640 0.0000 174.6758 168 A 3.9652 8.8558 123.6072 55.3227 18.4881 178.6167 169 D 4.3650 8.2040 113.7901 58.0010 41.0380 177.8674 170 G 4.0293 7.9042 105.0841 45.0206 0.0000 174.3705 171 K 4.0720 7.3345 116.5406 57.7261 32.5964 177.2709 172 R 3.6564 7.9366 118.5462 56.8471 29.8783 176.0678 173 S 4.4466 8.3106 119.6666 56.6021 64.5759 173.3245 174 L 4.0758 8.1411 122.9988 55.0246 41.9015 176.9612 175 D 4.7287 9.0554 127.3545 52.2967 42.2532 176.4598 176 E 3.8444 8.6057 118.7189 60.2220 29.3757 178.3897 177 H 4.2630 8.0805 115.4071 58.6315 28.8619 177.5268 178 E 3.9556 8.7688 120.6416 59.4964 29.1889 178.9109 179 L 3.9361 8.0488 120.1914 58.8030 42.0244 179.3267 180 T 3.8953 7.7736 115.1806 66.4940 68.3840 176.8639 181 L 3.9751 8.1614 121.2402 57.8343 41.7348 178.8938 182 C 3.8490 8.4221 117.1664 63.1872 28.0186 176.7517 183 R 3.8308 7.7273 118.8441 59.0044 29.6858 178.5532 184 A 3.9568 7.8721 120.6976 55.2570 18.2364 179.4644 185 L 3.9031 8.0143 118.4745 58.2634 42.2740 179.0198 186 G 3.7824 7.8159 105.6056 47.8785 0.0000 175.3134 187 K 4.3102 8.3139 123.7366 58.7083 32.2210 178.7575 188 R 3.8656 8.3069 119.3803 59.2793 29.8875 177.8577 189 L 3.8459 8.2562 120.2116 58.2447 41.9729 178.6502 190 A 3.6328 7.9417 120.2664 55.3921 18.3763 179.4888 191 E 4.0172 8.7051 117.2448 59.7263 29.4295 179.7315 192 T 3.8096 8.1975 115.7831 66.7327 68.3622 176.4306 193 A 3.9896 7.9069 121.4019 54.9236 18.4970 179.6382 194 G 3.9926 8.4851 104.5673 48.1056 0.0000 175.8748 195 K 3.9737 8.3126 120.7220 59.1147 32.2924 179.2882 196 L 4.0503 7.8012 116.9299 56.2253 41.5272 177.1401 197 E 4.3262 8.1366 123.2492 56.4646 29.9572 174.4579 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 4 P 0.00 4.60 0.00 2.45 2.37 0.00 3.78 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 5 Y 7.89 5.97 0.00 3.36 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 6 I 8.54 4.52 1.88 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.82 0.92 0.00 0.00 7 L 8.76 4.74 0.00 2.00 1.64 1.10 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.95 4.80 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 0.99 0.00 0.00 0.98 0.00 0.00 9 L 9.10 5.40 0.00 1.84 1.58 0.61 1.05 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 10 Y 8.48 5.91 0.00 3.26 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 11 Y 8.52 4.82 0.00 2.87 2.84 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 12 S 7.16 4.41 0.00 4.07 3.74 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 13 R 8.54 4.11 0.00 1.85 1.84 0.00 3.23 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.26 0.00 14 H 8.02 4.86 0.00 3.14 3.26 0.00 5.98 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 15 G 8.04 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 16 A 8.04 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.93 3.98 4.44 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 1.46 0.00 0.00 18 A 7.98 3.25 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 19 E 8.10 3.73 0.00 2.17 1.84 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 2.24 2.42 0.00 20 M 7.78 3.88 0.00 1.95 2.30 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.53 0.00 21 A 7.94 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.57 3.77 0.00 1.93 1.92 0.00 3.25 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 23 Q 7.88 3.92 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 24 I 7.75 3.72 1.62 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 1.35 0.41 0.75 0.00 0.00 25 A 8.14 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.01 3.92 0.00 2.00 1.96 0.00 3.14 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 27 G 7.78 3.95 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 0.00 0.00 0.00 28 V 7.80 3.76 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.98 0.00 0.00 29 E 8.54 4.89 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.23 0.00 30 Q 8.00 4.42 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.84 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 31 G 8.22 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 32 G 8.53 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.90 4.97 0.00 3.01 2.93 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 34 E 9.32 4.68 0.00 2.10 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 0.00 2.60 2.38 0.00 35 A 8.63 4.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.90 4.32 0.00 1.71 1.93 0.00 2.79 0.00 0.00 2.99 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.42 0.00 37 V 8.21 4.70 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.96 0.00 0.00 38 R 9.17 4.92 0.00 1.73 1.76 0.00 3.40 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 39 T 8.71 5.37 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 1.33 0.00 0.00 40 V 7.94 4.74 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.98 0.00 0.00 41 P 0.00 4.12 0.00 1.90 1.32 0.00 3.38 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.86 0.00 42 A 8.55 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 43 V 7.58 4.35 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 0.43 0.00 0.00 0.73 0.00 0.00 44 S 7.68 4.48 0.00 3.88 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.24 4.42 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 1.15 0.00 0.00 *58 G 8.34 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 0.00 0.00 0.00 59 A 7.22 4.39 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 60 L 7.94 4.02 0.00 1.72 1.50 0.83 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 7.98 5.10 0.00 2.93 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 62 A 8.75 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 9.34 4.94 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 1.30 0.00 0.00 64 L 8.52 4.08 0.00 1.73 1.77 0.85 0.67 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 65 E 8.31 4.04 0.00 2.07 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 2.38 2.54 0.00 66 D 7.67 4.68 0.00 2.92 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.99 4.21 0.00 1.98 1.76 1.01 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.10 3.89 0.00 1.85 1.91 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.52 7.81 69 N 8.07 4.88 0.00 2.97 2.96 0.00 0.00 7.10 7.32 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 70 C 7.21 3.10 0.00 2.85 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 71 A 7.94 4.25 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 72 G 6.89 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 73 L 8.05 5.36 0.00 1.78 1.46 1.07 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 74 A 9.45 5.43 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 9.17 5.10 0.00 1.77 1.49 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.66 3.53 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 77 S 7.98 5.22 0.00 3.88 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.88 0.00 2.15 2.09 0.00 3.99 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 79 T 8.79 4.03 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 80 R 8.94 4.12 0.00 1.78 1.64 0.00 3.35 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 81 F 9.25 3.95 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 82 G 8.16 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 0.00 0.00 0.00 0.00 83 N 7.89 5.01 0.00 2.77 2.71 0.00 0.00 6.69 7.70 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 84 M 8.29 4.57 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 85 A 8.87 4.21 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 86 S 8.43 4.08 0.00 3.99 4.10 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 87 P 0.00 4.13 0.00 1.26 1.92 0.00 2.92 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.67 0.00 88 L 7.56 3.99 0.00 1.79 1.81 0.95 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.08 3.84 0.00 1.92 1.99 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.53 7.81 90 Y 8.19 4.21 0.00 2.97 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 91 F 7.96 4.03 0.00 3.11 3.20 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 92 L 8.13 3.92 0.00 1.89 1.71 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.48 4.50 0.00 2.65 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 94 G 7.14 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 95 T 7.34 4.50 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 1.01 0.00 0.00 96 S 8.32 4.13 0.00 3.87 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 97 S 8.09 4.14 0.00 3.89 3.87 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 98 L 7.92 4.02 0.00 2.03 1.77 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 99 W 8.53 4.16 0.00 3.28 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 0.00 100 L 8.51 3.88 0.00 2.08 1.93 1.16 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.03 3.99 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 1.21 0.00 0.00 102 G 7.46 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 0.00 103 S 7.96 4.36 0.00 3.87 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.52 3.81 0.00 1.95 1.81 0.70 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 113 T 9.28 5.75 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 114 S 8.73 5.33 0.00 4.01 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.95 5.02 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 116 A 8.85 4.36 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 0.00 117 S 7.96 5.14 0.00 3.91 3.87 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 0.00 118 L 8.10 3.41 0.00 1.23 1.20 0.71 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 119 H 7.73 4.93 0.00 3.08 3.19 0.00 5.69 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 0.00 120 G 7.94 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 0.00 0.00 0.00 121 G 7.97 3.67 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 M 8.08 4.82 0.00 2.09 2.13 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 2.87 2.74 0.00 139 L 8.67 4.62 0.00 1.63 1.59 0.92 0.89 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 0.00 140 V 8.40 4.98 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 0.75 0.00 0.00 0.97 0.00 0.00 141 L 8.67 4.73 0.00 1.59 1.58 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.56 4.84 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 0.00 0.00 0.00 143 I 8.02 4.57 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.18 0.74 0.00 0.00 144 P 0.00 4.35 0.00 2.01 1.99 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 145 Y 8.79 3.58 0.00 3.12 3.16 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 *156 G 7.11 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 0.00 0.00 0.00 0.00 157 G 8.49 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 158 T 8.42 4.66 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 1.26 0.00 0.00 159 P 0.00 4.18 0.00 1.50 1.87 0.00 3.11 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 160 Y 7.54 4.46 0.00 3.17 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 0.00 161 G 6.83 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 0.00 0.00 0.00 0.00 162 A 8.03 4.80 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 0.00 163 S 8.77 5.96 0.00 3.94 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 0.00 164 H 8.82 5.41 0.00 3.28 3.21 0.00 5.85 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 0.00 165 F 8.99 5.30 0.00 2.91 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 A 9.09 4.22 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 0.00 167 G 6.98 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 168 A 8.86 3.97 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 0.00 169 D 8.20 4.36 0.00 2.62 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 0.00 170 G 7.90 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 K 7.33 4.07 0.00 2.06 1.84 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.38 7.81 172 R 7.94 3.66 0.00 1.52 1.64 0.00 2.71 0.00 0.00 2.59 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 173 S 8.31 4.45 0.00 3.98 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 0.00 174 L 8.14 4.08 0.00 1.50 1.58 0.65 1.17 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 0.00 175 D 9.06 4.73 0.00 3.03 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 0.00 176 E 8.61 3.84 0.00 1.99 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 2.26 2.35 0.00 177 H 8.08 4.26 0.00 3.23 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 E 8.77 3.96 0.00 2.20 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 2.46 2.68 0.00 179 L 8.05 3.94 0.00 1.84 1.80 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 180 T 7.77 3.90 4.39 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 1.21 0.00 0.00 181 L 8.16 3.98 0.00 1.80 1.68 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 182 C 8.42 3.85 0.00 3.01 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 0.00 183 R 7.73 3.83 0.00 1.96 1.94 0.00 3.12 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 184 A 7.87 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 L 8.01 3.90 0.00 1.75 1.77 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 186 G 7.82 3.78 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 0.00 0.00 0.00 187 K 8.31 4.31 0.00 1.94 1.98 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.32 7.81 188 R 8.31 3.87 0.00 1.95 2.03 0.00 3.13 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 189 L 8.26 3.85 0.00 1.86 1.87 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 190 A 7.94 3.63 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 0.00 191 E 8.71 4.02 0.00 1.99 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 2.39 2.55 0.00 192 T 8.20 3.81 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 1.20 0.00 0.00 193 A 7.91 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 G 8.49 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 0.00 195 K 8.31 3.97 0.00 1.87 1.92 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.72 7.81 196 L 7.80 4.05 0.00 1.62 1.74 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 197 E 8.14 4.33 0.00 2.08 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 2.22 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.