NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7472 8.3549 109.7400 45.1490 0.0000 176.2734 *2 K 4.3199 9.0068 127.9309 56.3969 34.3108 174.6811 3 I 5.0109 9.2461 127.2768 59.5149 39.4400 174.7024 4 A 5.4257 9.2666 129.8514 50.3691 21.4881 175.0600 5 L 5.1595 9.1945 124.4358 53.4698 44.5686 175.2458 6 I 5.0954 9.0454 126.7609 59.6803 40.9106 174.3678 7 I 4.9104 8.9250 128.0347 59.4184 40.2316 175.7244 8 E 4.4478 8.7355 124.9918 54.6548 31.4932 176.8358 9 N 4.3960 8.8154 116.2467 55.7919 37.3962 177.6802 10 S 4.1317 8.8799 113.5441 60.4240 63.3380 174.8950 11 Q 4.4888 8.0783 117.4369 55.0907 29.5245 176.7361 12 A 3.8794 7.7375 123.8234 55.4763 18.3495 180.2803 13 A 4.1339 7.9444 116.4144 54.3540 18.7981 178.0556 14 K 4.3479 8.4075 114.7269 56.5055 33.0891 177.9693 15 N 4.1501 8.1155 118.4637 56.8354 38.6853 176.4333 16 A 4.1297 7.9487 121.4891 55.1060 18.5563 179.6329 17 V 3.5973 7.7482 116.3873 66.1208 31.7025 178.3668 18 V 3.7131 7.9051 118.0861 66.2661 31.3540 177.4639 19 H 4.2644 8.7724 118.5042 59.3007 29.5676 176.8874 20 E 4.0064 8.6165 122.3677 58.5867 28.9866 178.6302 21 A 4.1012 8.1636 120.9742 54.9978 18.3928 179.4539 22 L 3.7507 8.2495 119.2310 58.4514 41.9091 179.3408 23 T 3.8059 8.3105 110.2666 65.1271 68.5030 176.4617 24 T 3.9319 7.9852 117.9482 66.1396 67.7557 176.1803 25 V 3.9436 7.6232 118.6947 65.7059 31.9622 178.0374 26 A 4.2618 8.1759 120.5573 54.9017 18.1466 179.5176 27 E 4.1128 7.9274 118.1380 58.6314 29.3936 177.6842 28 P 4.3113 0.0000 0.0000 64.6631 31.5315 176.8996 29 L 4.2231 7.1483 113.7706 54.6615 41.8358 177.4373 30 G 3.7925 8.3582 107.5616 45.7417 0.0000 173.2001 31 H 4.8365 7.7319 116.5656 54.3548 31.2478 174.0853 32 K 4.4448 8.3463 119.1824 54.7241 34.3966 175.4126 33 V 4.5869 7.8940 124.0818 60.9815 33.8540 174.4422 34 F 4.8053 9.2328 127.0483 55.7698 41.4492 174.2932 35 N 4.9859 8.8798 124.0632 52.9164 38.8014 173.9346 36 Y 4.3066 9.1325 124.1434 57.6556 38.7879 177.2007 37 G 2.9410 8.4135 106.4188 45.3074 0.0000 174.2302 *39 Y 4.8068 8.1701 115.5215 57.6268 39.7207 175.4762 40 T 4.7216 8.2644 107.4462 59.6860 72.0876 174.2535 41 A 4.1872 8.5284 123.3663 53.9677 18.4752 178.0719 42 E 4.3801 8.1174 114.2898 56.2092 30.1817 176.5182 43 D 4.4947 7.5839 119.4704 54.6908 41.4000 177.1643 44 K 3.9426 8.8415 122.7668 59.1095 32.2382 177.0082 45 A 4.3128 7.7529 122.0514 51.0987 17.5140 175.7529 46 S 4.6980 8.1725 115.5893 57.9580 64.1055 173.0551 47 L 4.9688 8.4066 124.7619 53.1591 45.1566 175.6653 48 T 4.8796 8.2038 111.9790 59.7461 71.0639 174.1250 49 Y 4.2769 8.5035 119.5187 60.0910 38.3861 178.6557 50 V 3.8586 6.6511 118.1459 63.2761 31.1594 177.2753 *52 N 4.6793 8.3899 117.6464 52.7823 40.5838 177.1818 53 G 3.5792 7.9076 104.5452 47.4206 0.0000 175.7109 54 L 3.9037 7.7804 122.3688 57.8688 42.0856 178.7919 55 L 3.8416 7.8262 119.6093 57.9355 41.9887 178.4034 56 A 4.0062 8.1426 120.9149 55.2356 18.2363 179.8295 57 G 3.5023 8.0712 104.0012 47.8925 0.0000 175.8360 58 I 3.7149 7.7220 122.2691 64.2408 37.3040 178.5838 59 L 4.1044 8.0586 119.8065 57.7355 41.2340 179.7095 60 L 4.1990 8.1216 119.0209 58.0160 41.4745 179.3455 61 N 4.3985 8.2562 115.3727 55.7668 38.6532 176.9819 62 S 4.4816 8.2659 115.0432 58.7270 63.3997 175.9431 63 G 3.9090 7.6445 109.8719 45.1063 0.0000 174.2556 64 A 3.9666 7.8701 121.6915 53.6625 18.5713 177.9170 65 A 4.8872 7.6776 116.6427 50.9359 22.2437 175.5356 66 D 4.8827 9.1685 120.1906 55.2673 42.3517 176.8140 67 F 5.0913 8.0750 119.8195 56.8017 43.2355 172.7699 68 V 4.9645 8.4852 125.4952 61.1094 34.3245 174.1393 69 V 4.9000 9.4440 128.3600 61.9108 33.8255 174.2777 70 T 4.9809 8.8748 122.9852 62.2002 71.0005 172.0510 71 G 4.3897 8.7588 107.1344 45.5157 0.0000 171.6018 *73 G 3.9928 8.1751 107.1149 45.2310 0.0000 174.7517 74 T 4.1471 8.0036 107.3947 60.5287 70.2728 174.2744 75 G 3.5488 7.7561 110.1464 45.8725 0.0000 174.3505 *77 G 3.0966 7.8142 108.7431 45.4253 0.0000 175.8117 78 S 4.5104 7.0496 112.4099 58.4577 61.8386 176.4865 *80 L 4.1807 8.1671 121.6856 54.8908 43.4385 179.3678 81 A 3.8683 8.1961 119.9959 55.0547 18.0172 179.5907 82 A 3.9261 8.0391 118.6161 55.2716 18.5940 179.1615 83 N 4.4039 7.5427 112.2377 54.5415 39.2291 176.0729 84 A 4.1886 7.3561 123.7481 50.5622 18.4209 175.3908 *86 P 3.8724 0.0000 0.0000 64.4473 32.6697 177.6410 87 G 3.8967 8.5450 106.8746 45.8699 0.0000 173.2518 88 V 4.2558 6.7849 118.5250 60.8583 33.0699 175.2495 89 F 4.8962 9.5778 126.0378 55.7684 40.9817 172.3295 90 C 4.9589 9.2481 123.8513 57.4232 32.8039 173.3624 91 G 3.4349 8.5737 114.2315 45.3830 0.0000 172.0850 92 L 4.9497 8.1908 124.3743 53.4122 42.9809 175.5334 93 V 4.2323 8.1205 126.8586 61.5618 33.0891 174.1685 94 I 4.2094 8.8116 126.9832 62.4031 39.2132 175.8503 95 D 5.0171 7.9301 118.2659 50.6006 43.3068 175.0750 96 P 4.2927 0.0000 0.0000 65.8541 31.1146 179.2243 97 T 3.9133 7.9303 114.4104 66.6340 68.4363 176.2578 98 D 4.3717 8.9195 121.1022 57.3190 40.8056 178.8409 99 A 4.0658 7.9649 121.2525 54.9770 18.5406 179.3597 100 F 4.0745 8.4562 119.2856 61.6758 39.5575 177.3553 101 L 3.7901 8.2731 118.6320 57.5792 41.3340 179.3863 102 F 4.6102 7.9332 122.2075 60.8717 39.3319 177.5375 103 G 3.4170 8.1136 105.3023 47.4228 0.0000 175.6035 104 Q 4.0108 7.6006 119.5760 57.8665 28.7525 178.1660 105 I 3.8715 7.9503 119.7006 63.1990 37.5396 176.5553 106 N 4.4173 7.7111 115.8391 52.6157 40.4411 174.2908 107 D 3.9987 7.5087 117.3628 54.8523 39.8874 172.4621 108 G 3.9973 6.2992 108.8870 45.3570 0.0000 172.2226 109 N 5.0104 8.5845 112.9893 52.0916 38.5809 173.8813 110 A 4.5421 7.4245 119.2474 51.1413 22.7027 175.8028 111 I 4.9059 8.6796 113.0534 59.2013 41.5647 174.2345 112 S 5.6424 9.3338 118.1641 54.7197 66.4525 170.6364 *114 P 4.1415 0.0000 0.0000 62.8971 31.7437 175.8040 115 Y 3.9937 8.3469 119.3885 58.0480 38.7404 175.4056 116 S 4.4739 7.9792 113.0411 59.6068 65.7222 173.5634 117 K 4.0358 8.1231 122.8593 58.1651 31.9606 177.2380 118 G 3.9352 9.0140 114.2245 45.7528 0.0000 173.5093 119 F 4.6398 8.1601 123.3336 56.1106 39.0906 176.3620 120 G 4.1874 7.3913 120.1515 43.9044 0.0000 171.8246 121 W 4.4828 8.9208 124.6813 58.2728 29.3459 175.4159 122 A 3.7854 9.0199 122.8581 52.9449 16.2348 178.8096 123 A 3.7653 7.5963 121.7599 55.6459 17.5306 180.2781 124 E 4.0796 7.8598 115.3803 58.9473 29.8688 178.9078 125 L 4.1258 7.9252 120.4821 57.1657 41.8295 178.4427 126 N 4.2480 7.9940 116.6515 56.4570 38.8825 176.5818 127 L 3.6413 7.6695 119.9290 57.9560 41.7495 179.6365 128 Q 4.0599 7.6173 116.7596 59.0093 28.2278 178.4282 129 D 4.3574 8.1458 119.9720 57.4202 40.8697 179.1366 130 V 3.5543 7.8862 118.8945 66.2464 31.5256 177.7646 131 Y 4.2037 7.7577 116.4989 61.0956 37.4278 178.6977 132 R 4.0666 8.2964 119.1946 59.1554 29.8922 179.2092 133 K 3.9875 7.5254 117.1947 59.1182 32.1585 178.9400 134 L 4.1013 7.3682 117.9108 56.0518 41.7119 177.6046 135 F 5.0165 7.8861 114.3364 56.9193 39.9398 174.4658 136 D 4.7864 8.0554 120.7901 53.4432 42.9714 176.1460 137 G 3.9950 8.8867 112.1133 44.5928 0.0000 172.2615 138 E 4.2169 8.2826 117.5471 56.1530 30.0325 176.7694 139 R 4.5134 8.1541 119.8594 55.2371 33.1651 175.7710 140 G 3.8497 8.6138 106.0407 46.7752 0.0000 174.9134 141 L 4.1310 8.1239 118.7535 54.3096 42.0976 177.8682 142 G 4.1570 9.2256 104.6210 46.1611 0.0000 172.7185 143 Y 4.5365 7.8728 118.6814 55.6623 41.9226 172.8328 144 P 3.3141 0.0000 0.0000 61.8685 32.2810 177.5482 145 R 4.0172 8.2013 119.7271 59.2782 29.7041 179.0288 146 E 3.9890 8.0821 115.8329 58.3848 29.9589 178.1098 147 R 4.4212 8.0374 118.1546 55.6641 30.3898 177.2982 148 A 4.0803 7.8645 122.5857 55.6691 18.6133 179.6643 149 E 4.1367 8.0646 116.1636 59.2666 29.5861 179.8565 150 I 3.5293 7.1132 115.1500 62.1538 36.3813 177.7199 *152 R 4.1567 8.0928 122.9677 56.3979 31.8595 177.6629 153 K 3.9562 8.1132 117.1504 59.7150 32.0116 178.9866 154 N 4.3277 8.3120 116.7095 56.4789 38.4082 177.6656 155 R 3.8947 7.9396 119.1189 59.0915 30.1662 179.1815 156 G 3.5579 7.7368 104.7028 47.7807 0.0000 175.9609 157 I 3.7666 7.7923 122.2575 63.9398 36.9706 178.3269 158 L 4.0031 8.0714 121.4199 58.1038 41.8294 179.1963 159 R 4.0859 7.9214 118.0867 59.4010 29.7701 178.9228 160 E 3.9830 7.9924 117.4271 59.0767 29.8386 178.9090 161 L 4.1037 8.0085 120.4531 58.1205 42.2658 178.9380 162 K 4.2101 8.3441 121.1936 59.1909 31.9336 178.3385 163 D 4.5909 8.3116 118.0861 57.2731 40.7311 178.3170 164 A 4.2221 7.7025 120.4057 54.3072 18.7443 179.1749 165 S 4.3333 7.8636 112.1672 59.6353 63.8713 173.9692 166 C 4.6252 7.9815 119.8853 57.8445 29.1529 173.9906 167 R 4.2999 8.2888 123.3551 55.5369 31.5968 179.2328 168 D 4.7299 8.0916 118.6811 52.7848 38.9044 178.6089 *170 L 4.1318 8.6100 115.5452 55.1530 44.0017 178.7422 171 T 3.7416 7.9355 114.7176 66.5262 68.3146 176.6602 172 V 3.5340 7.6816 120.0856 66.1138 31.3200 178.0906 173 L 3.9740 7.5961 116.8616 57.6314 41.5513 179.0955 174 K 3.9690 7.9900 118.7524 57.4149 32.1344 178.2885 175 T 4.4496 7.2215 107.8215 60.9299 70.1522 175.1917 176 V 3.7642 6.9056 120.9797 60.7444 32.4527 175.8732 177 D 4.3237 8.5170 119.7340 55.0137 41.8773 177.2383 178 Q 4.1204 8.7216 126.0972 58.7272 28.9015 178.1500 179 D 4.3510 8.1649 119.9812 56.9002 40.9469 178.2461 180 L 3.9086 8.3980 121.3212 57.8988 41.5600 178.7831 181 L 3.8768 7.7871 120.1379 58.2494 41.8340 179.1914 182 R 3.8487 7.8944 116.7154 59.0450 30.3082 178.6300 183 A 4.0446 8.0699 120.4483 55.0850 18.1796 179.5003 184 A 3.9657 7.8415 118.4561 54.1729 18.3753 178.3379 185 I 3.5068 6.7180 106.9199 60.4241 37.6188 176.1009 186 A 4.2330 7.6110 122.2081 52.7179 18.8982 178.8413 187 G 3.9373 7.8503 106.2666 45.1710 0.0000 174.7965 188 E 4.0673 9.0569 119.9495 58.4097 29.8139 177.9386 189 K 4.5185 8.0591 116.6054 56.0138 33.2403 177.4461 190 F 4.1156 8.5763 123.1773 61.5221 38.7592 177.0926 191 A 4.4676 8.3375 119.9262 55.2028 18.0679 179.0619 192 E 3.9792 8.1924 116.7639 59.0286 29.8575 178.2529 193 L 4.1411 7.4908 117.8725 56.8175 42.4219 178.6754 194 F 3.9542 8.1671 120.8497 61.4464 38.8216 176.8897 195 Y 3.9013 7.3720 115.2630 60.5887 37.4950 176.9689 196 P 4.3399 0.0000 0.0000 64.5961 31.6272 176.6902 197 N 4.5348 7.0775 114.9782 53.2492 39.5017 174.4004 198 C 3.9243 7.3690 119.7373 59.1219 31.6654 173.2231 199 K 4.1601 8.7011 126.3849 56.6741 32.8130 176.4403 200 D 4.7412 7.6618 118.6272 52.6157 42.1094 175.9248 201 D 4.4452 8.6008 128.2747 57.2069 40.9054 178.5676 202 A 4.1321 8.1108 121.0696 55.1109 18.4810 179.5850 203 I 3.7870 8.3535 118.1717 64.4913 37.1801 178.4884 204 A 4.5334 8.2106 121.6172 55.5049 18.2687 179.4152 205 N 4.3452 8.8568 115.4109 56.6156 38.5584 177.0860 206 Y 3.9984 8.3704 120.9187 60.7620 39.0792 177.9871 207 L 4.0981 8.3584 119.9671 57.9107 41.7427 179.7647 208 R 4.0318 8.4935 118.4238 59.0265 29.7440 179.0386 209 S 4.1834 7.6573 113.0437 60.7053 62.9877 176.1135 210 L 4.0318 7.3627 121.9914 56.5891 41.3233 176.5589 211 D 4.3579 7.8167 123.0060 53.3632 39.5642 175.1491 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 0 G 8.35 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 K 9.01 4.32 0.00 1.98 2.18 0.00 1.68 0.00 0.00 1.92 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.71 1.61 7.81 3 I 9.25 5.01 1.66 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.46 0.84 0.00 0.00 4 A 9.27 5.43 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 5 L 9.19 5.16 0.00 1.80 1.59 1.04 0.77 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 6 I 9.05 5.10 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.20 0.97 0.00 0.00 7 I 8.92 4.91 1.79 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.75 0.85 0.00 0.00 8 E 8.74 4.45 0.00 2.41 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 0.00 2.46 2.58 0.00 9 N 8.82 4.40 0.00 2.98 3.20 0.00 0.00 7.18 7.45 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 10 S 8.88 4.13 0.00 4.00 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 11 Q 8.08 4.49 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.71 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 12 A 7.74 3.88 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 13 A 7.94 4.13 1.31 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 0.00 0.00 0.00 14 K 8.41 4.35 0.00 1.70 1.66 0.00 1.36 0.00 0.00 1.17 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.29 7.81 15 N 8.12 4.15 0.00 2.69 2.90 0.00 0.00 7.00 7.84 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 16 A 7.95 4.13 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 17 V 7.75 3.60 2.30 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 1.19 0.00 0.00 1.01 0.00 0.00 18 V 7.91 3.71 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.54 0.00 0.00 19 H 8.77 4.26 0.00 3.31 3.46 0.00 5.66 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.62 4.01 0.00 2.12 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 2.34 2.19 0.00 21 A 8.16 4.10 1.61 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 22 L 8.25 3.75 0.00 1.83 1.84 0.18 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.31 3.81 4.30 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 1.13 0.00 0.00 24 T 7.99 3.93 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 25 V 7.62 3.94 2.35 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 1.25 0.00 0.00 1.24 0.00 0.00 26 A 8.18 4.26 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.93 4.11 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.13 0.00 28 P 0.00 4.31 0.00 2.05 2.11 0.00 3.78 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 2.20 2.10 0.00 29 L 7.15 4.22 0.00 1.84 1.65 1.14 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.36 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 31 H 7.73 4.84 0.00 3.07 3.03 0.00 5.59 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.35 4.44 0.00 1.60 1.15 0.00 1.71 0.00 0.00 1.90 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.36 7.81 33 V 7.89 4.59 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 0.82 0.00 0.00 0.76 0.00 0.00 34 F 9.23 4.81 0.00 3.30 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 3.93 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 83 N 7.54 4.40 0.00 2.53 2.85 0.00 0.00 7.04 7.23 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 84 A 7.36 4.19 1.31 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 0.00 0.00 0.00 *86 P 0.00 3.87 0.00 2.21 2.29 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.16 0.00 87 G 8.55 3.90 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 0.00 0.00 0.00 88 V 6.78 4.26 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 0.76 0.00 0.00 0.90 0.00 0.00 89 F 9.58 4.90 0.00 2.97 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 90 C 9.25 4.96 0.00 2.94 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 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 K 8.12 4.04 0.00 1.71 1.73 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.40 7.81 118 G 9.01 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 0.00 119 F 8.16 4.64 0.00 3.03 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 0.00 120 G 7.39 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 0.00 0.00 0.00 0.00 121 W 8.92 4.48 0.00 3.19 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 9.02 3.79 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 0.00 123 A 7.60 3.77 0.32 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 0.00 124 E 7.86 4.08 0.00 2.23 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 2.34 2.35 0.00 125 L 7.93 4.13 0.00 1.82 1.71 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 126 N 7.99 4.25 0.00 2.78 2.93 0.00 0.00 7.22 6.66 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 0.00 127 L 7.67 3.64 0.00 1.89 1.32 1.23 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.62 4.06 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.79 0.00 0.00 0.00 0.00 0.00 2.68 2.64 0.00 129 D 8.15 4.36 0.00 2.79 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 0.00 130 V 7.89 3.55 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 0.99 0.00 0.00 0.91 0.00 0.00 131 Y 7.76 4.20 0.00 3.29 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 0.00 132 R 8.30 4.07 0.00 2.05 2.03 0.00 3.15 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.98 0.00 133 K 7.53 3.99 0.00 1.89 1.99 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.71 1.86 7.81 134 L 7.37 4.10 0.00 0.39 0.72 0.76 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 135 F 7.89 5.02 0.00 3.11 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 D 8.06 4.79 0.00 2.73 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 0.00 137 G 8.89 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 0.00 0.00 0.00 138 E 8.28 4.22 0.00 1.99 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 2.33 2.35 0.00 139 R 8.15 4.51 0.00 1.79 1.93 0.00 3.36 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 140 G 8.61 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 0.00 141 L 8.12 4.13 0.00 1.84 1.74 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 142 G 9.23 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 0.00 0.00 0.00 0.00 143 Y 7.87 4.54 0.00 3.02 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 3.31 0.00 2.08 1.56 0.00 3.63 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 2.02 1.94 0.00 145 R 8.20 4.02 0.00 1.88 1.95 0.00 3.25 0.00 0.00 3.39 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.26 0.00 146 E 8.08 3.99 0.00 2.08 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 0.00 2.19 2.29 0.00 147 R 8.04 4.42 0.00 1.89 1.95 0.00 3.14 0.00 0.00 3.17 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 148 A 7.86 4.08 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 0.00 149 E 8.06 4.14 0.00 1.98 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 2.38 2.33 0.00 150 I 7.11 3.53 1.99 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 1.17 0.57 0.90 0.00 0.00 *152 R 8.09 4.16 0.00 1.83 1.93 0.00 3.31 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 1.56 1.62 0.00 153 K 8.11 3.96 0.00 2.00 1.82 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.67 7.81 154 N 8.31 4.33 0.00 2.78 2.85 0.00 0.00 7.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 R 7.94 3.89 0.00 1.89 1.80 0.00 3.02 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 156 G 7.74 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.79 3.77 1.98 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 1.64 0.90 0.91 0.00 0.00 158 L 8.07 4.00 0.00 1.79 1.80 1.03 0.77 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 0.00 159 R 7.92 4.09 0.00 2.03 2.01 0.00 3.19 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.67 0.00 160 E 7.99 3.98 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 161 L 8.01 4.10 0.00 1.91 1.94 0.94 0.31 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 0.00 162 K 8.34 4.21 0.00 2.05 1.99 0.00 1.56 0.00 0.00 1.14 0.00 0.00 2.69 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.32 7.81 163 D 8.31 4.59 0.00 2.91 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 0.00 164 A 7.70 4.22 1.38 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 0.00 165 S 7.86 4.33 0.00 4.05 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 C 7.98 4.63 0.00 2.99 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 0.00 167 R 8.29 4.30 0.00 1.77 1.83 0.00 3.19 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 168 D 8.09 4.73 0.00 2.81 2.46 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 *170 L 8.61 4.13 0.00 1.74 1.89 0.83 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 171 T 7.94 3.74 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 1.16 0.00 0.00 172 V 7.68 3.53 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 0.98 0.00 0.00 0.93 0.00 0.00 173 L 7.60 3.97 0.00 1.58 1.62 0.97 0.88 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 0.00 174 K 7.99 3.97 0.00 1.67 1.72 0.00 1.46 0.00 0.00 1.48 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.70 0.81 7.81 175 T 7.22 4.45 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 1.22 0.00 0.00 176 V 6.91 3.76 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.90 0.00 0.00 177 D 8.52 4.32 0.00 2.70 2.58 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 0.00 178 Q 8.72 4.12 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.70 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 179 D 8.16 4.35 0.00 2.85 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 0.00 180 L 8.40 3.91 0.00 1.69 1.85 0.84 0.68 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 0.00 181 L 7.79 3.88 0.00 1.82 1.79 0.86 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 182 R 7.89 3.85 0.00 1.90 1.92 0.00 3.18 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 183 A 8.07 4.04 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 0.00 184 A 7.84 3.97 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 0.00 185 I 6.72 3.51 0.56 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 1.12 0.36 0.29 0.00 0.00 186 A 7.61 4.23 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 0.00 187 G 7.85 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 0.00 188 E 9.06 4.07 0.00 2.12 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 0.00 2.46 2.32 0.00 189 K 8.06 4.52 0.00 1.88 1.80 0.00 1.89 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.18 7.81 190 F 8.58 4.12 0.00 3.30 3.27 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 0.00 191 A 8.34 4.47 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 0.00 0.00 0.00 0.00 0.00 192 E 8.19 3.98 0.00 2.00 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 2.29 2.41 0.00 193 L 7.49 4.14 0.00 1.22 1.28 0.44 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 194 F 8.17 3.95 0.00 1.89 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 0.00 0.00 0.00 195 Y 7.37 3.90 0.00 3.07 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 0.00 196 P 0.00 4.34 0.00 1.98 2.09 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 197 N 7.08 4.53 0.00 2.78 2.55 0.00 0.00 6.46 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 C 7.37 3.92 0.00 1.60 2.50 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 0.00 199 K 8.70 4.16 0.00 1.86 1.81 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.41 7.81 200 D 7.66 4.74 0.00 2.71 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 0.00 201 D 8.60 4.45 0.00 2.76 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 0.00 202 A 8.11 4.13 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 0.00 203 I 8.35 3.79 2.15 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 1.52 0.78 1.15 0.00 0.00 204 A 8.21 4.53 1.63 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 0.00 0.00 0.00 0.00 0.00 0.00 205 N 8.86 4.35 0.00 2.99 2.96 0.00 0.00 6.70 7.48 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 0.00 206 Y 8.37 4.00 0.00 3.23 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 0.00 207 L 8.36 4.10 0.00 2.06 1.84 0.75 0.87 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 0.00 208 R 8.49 4.03 0.00 2.11 1.93 0.00 3.16 0.00 0.00 3.07 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.36 0.00 209 S 7.66 4.18 0.00 3.92 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 0.00 210 L 7.36 4.03 0.00 1.70 1.68 0.84 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 211 D 7.82 4.36 0.00 2.70 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 * Residues marked with a * may have inaccurate shift predictions.