NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.4145 0.0000 0.0000 62.8072 33.2625 174.6530 5 A 4.8583 7.7425 121.3866 50.1696 22.5869 173.2545 6 Y 5.1491 8.2483 115.9759 54.9118 43.5339 172.8280 *8 S 4.5369 8.3678 113.2119 58.6152 65.0344 173.0429 9 I 4.9694 8.4036 122.2810 60.1033 41.0511 174.1604 10 T 5.0136 8.8795 124.5580 61.8470 70.5315 174.3820 11 G 4.4984 8.9088 114.0343 44.3636 0.0000 174.3827 12 T 3.9426 8.1921 111.1813 64.3319 68.7720 175.8300 13 K 4.1664 8.4416 122.3392 58.3487 32.6204 177.4096 14 Q 4.2775 8.3006 114.9117 55.5244 30.4067 178.0303 15 G 3.7979 7.7293 106.7995 46.0185 0.0000 175.5970 16 L 4.4930 8.1978 120.5724 54.2305 40.2773 177.2374 17 I 3.7064 8.4732 126.3451 63.7097 37.6954 177.3221 18 T 4.4014 7.8256 108.5760 61.0129 68.9488 173.9988 19 A 4.3178 7.9813 126.1254 53.9272 18.6004 178.1088 20 G 3.9880 9.0951 110.5259 46.5046 0.0000 174.4741 21 A 4.3245 7.9213 122.0213 52.8642 19.4556 178.6056 22 F 5.1656 8.3627 118.2850 56.3470 39.1593 172.6955 23 T 4.5647 7.2465 114.2615 58.6472 73.7450 174.5884 24 E 3.6908 7.6071 119.1141 59.7639 29.1620 179.0774 25 D 4.3221 7.9095 116.7661 57.5084 40.8856 178.7886 26 S 4.3367 7.4850 110.8779 60.8543 62.7231 175.3396 27 V 4.4539 7.5168 112.3442 60.1839 33.4669 176.5631 28 G 3.8205 8.0085 111.9623 46.6026 0.0000 177.7614 29 N 4.3825 8.9590 122.5303 56.2166 38.8011 175.5038 30 T 4.1305 7.5236 106.6799 62.4661 69.1146 174.1717 31 Y 3.5092 7.4597 124.5281 58.2029 39.1681 175.2067 32 Q 3.7966 6.7504 126.5945 54.0131 31.3119 174.1383 33 E 4.1858 7.0948 123.1456 56.6975 29.9724 176.7952 34 G 3.9432 8.6242 107.2581 46.2486 0.0000 174.0424 35 H 5.1230 7.6573 116.9615 53.8934 30.1532 175.4820 36 E 4.4136 8.5128 120.4175 58.7994 29.6496 178.5652 37 D 5.0492 7.9822 116.1349 54.0817 41.4293 175.8458 38 Q 4.7480 8.1648 117.9679 54.2318 33.0590 175.1432 39 V 4.2609 7.9356 122.4311 61.4365 30.8239 176.5911 *41 V 3.9932 8.2343 126.5189 63.7641 32.4838 175.4996 42 Q 4.7429 8.4102 125.3321 55.1789 30.4011 175.5222 43 G 4.3478 7.7242 105.7837 45.2695 0.0000 172.3956 44 F 5.6898 8.8637 125.6276 56.8287 43.1134 173.3555 45 N 4.8540 8.3250 121.5678 52.2717 43.0921 172.9522 46 H 5.0382 8.4539 120.6837 55.6194 33.2872 172.2275 47 E 4.6663 8.2655 123.0963 54.9189 33.1342 173.5474 48 V 4.7248 8.2714 125.5779 61.0733 34.4083 174.3446 49 I 4.6517 8.0597 126.5565 59.1034 41.6734 175.0316 50 I 4.0524 8.3140 129.2192 60.8092 37.8853 175.5931 *61 G 3.6206 8.2539 109.2463 45.7899 0.0000 172.1188 62 Q 4.6637 8.2947 126.2477 53.3461 31.4522 175.3243 63 R 4.2323 8.3593 118.9567 56.3733 30.2758 176.1557 64 V 4.4501 8.1279 112.6836 60.0281 35.0858 174.4673 65 H 4.6571 9.6101 119.7294 54.1385 30.7669 174.2550 66 K 4.6877 7.9279 119.1517 53.8128 35.0862 174.4301 67 P 5.1771 0.0000 0.0000 62.7471 32.4052 176.4978 68 V 4.1107 9.1351 123.6893 62.7741 32.8538 174.7744 69 V 4.9743 9.1341 129.0179 61.1434 33.6471 174.3895 70 I 5.2874 9.2249 120.7419 59.5203 41.2538 174.0947 71 T 5.3100 8.9459 121.0741 61.8829 71.2898 173.6037 72 K 4.9552 9.3488 124.3740 55.3223 36.9068 175.5589 73 V 4.6310 8.2026 113.6100 59.8291 33.5023 176.2715 74 F 4.5257 8.9225 121.7527 58.2884 39.3587 175.1120 75 D 4.7719 8.5489 121.2053 51.4363 42.1157 175.5465 76 K 3.8505 8.6446 119.2673 59.9937 32.1931 178.6290 77 A 4.1472 8.4619 120.8155 54.6452 18.1038 179.6353 78 S 3.9471 8.1449 114.3392 61.6085 62.9701 175.2468 79 P 4.1779 0.0000 0.0000 65.2502 30.9542 178.8456 80 L 3.9754 7.7044 117.7297 57.6121 41.7836 179.0632 81 L 3.9707 8.4179 119.2538 58.0254 41.7037 179.7665 82 L 4.0087 8.2525 118.5883 57.1853 41.4203 179.5832 83 A 3.9204 8.1511 122.2586 54.6518 18.3775 179.2557 84 A 4.0770 8.5258 119.8238 55.4009 18.0180 179.5699 85 L 3.9765 7.5737 117.6255 58.1437 42.2881 178.7212 86 T 4.1017 7.7996 108.8989 63.8462 68.6711 176.7969 87 S 4.2571 8.3805 117.4865 59.3304 63.5287 175.3748 88 G 3.8711 7.6379 108.6934 44.7036 0.0000 172.7328 89 E 3.8151 7.9356 120.6292 56.0853 29.9280 176.4091 90 R 4.0660 8.5336 126.7754 55.9969 31.5439 175.3943 91 L 4.3541 9.0325 128.5465 55.0354 41.7074 177.8237 92 T 3.9378 8.7595 122.2439 66.3155 69.7311 174.4729 93 K 4.6496 8.2209 121.8043 54.8667 36.1687 174.8436 94 V 4.6713 8.5570 127.4589 60.9800 33.8910 173.6387 95 E 4.7614 9.0046 129.3002 54.4504 31.9450 174.9462 96 I 4.3228 8.6330 128.8795 59.8268 39.4992 174.7083 97 Q 4.9701 8.5660 127.5864 54.3672 30.4034 175.0170 98 W 5.0970 9.6476 125.0493 55.6492 31.0032 175.2101 99 Y 5.6207 9.0368 121.8980 56.7220 40.5139 174.8608 100 R 4.7768 8.9060 116.9812 55.3067 33.7931 173.8680 101 T 4.7702 8.3453 116.8701 62.8383 69.0452 175.5847 102 S 4.4201 9.3774 121.7661 57.5635 63.8819 175.0885 103 A 3.8591 8.5620 123.6848 55.0812 18.0401 178.4793 104 A 4.2701 7.7886 116.1561 52.6230 18.9863 177.7913 105 G 4.0410 8.8225 104.3769 45.5831 0.0000 173.6532 106 T 4.7790 7.6723 114.1689 61.0123 72.9962 173.5606 107 Q 4.7668 8.9120 124.8289 56.2621 29.5017 175.6029 108 E 4.8694 9.6383 122.0314 54.6100 33.5355 174.3338 109 H 4.1702 8.9061 122.7953 56.2117 30.0948 174.0033 110 Y 4.7459 9.0740 123.4481 56.7478 39.8392 174.3968 111 Y 4.7980 7.0558 120.0693 56.8990 42.5401 173.1459 112 T 5.4167 8.0543 120.3493 62.2357 73.4800 173.1577 113 T 4.7521 9.2807 121.5012 61.9688 71.9243 172.9622 114 V 4.5886 8.3185 127.1398 60.8969 34.2650 174.1552 115 L 4.8398 8.7050 128.1549 53.1106 44.1490 175.1175 116 E 4.9321 9.0675 123.0095 55.1388 32.0299 176.0575 117 D 4.5176 8.2394 123.4466 55.3591 39.3048 173.4831 118 A 4.6118 7.7048 119.0705 52.1710 20.5052 177.9476 119 I 4.8790 9.3164 120.6012 59.4529 41.3893 175.0359 120 I 4.3829 8.4565 126.8197 61.1502 37.3045 176.0501 121 V 4.3028 8.0319 119.6083 60.6785 33.0753 175.4258 122 D 4.3717 7.2295 116.9890 53.5423 44.3850 174.5220 123 I 5.1574 8.4517 125.4866 59.4177 41.0737 174.3514 124 K 4.6007 8.9723 128.1111 54.8905 34.4157 174.4701 125 D 5.6440 8.6957 127.4292 53.4681 42.5584 174.8142 126 Y 4.5535 8.5020 124.2260 58.0539 42.1373 175.8065 *139 T 3.9629 8.1601 113.5328 61.6212 68.9629 173.0789 140 H 4.4185 7.5029 121.6764 54.4139 29.6308 174.3073 141 L 5.0495 8.0434 124.0896 53.1502 45.2197 175.5414 142 E 5.2234 8.6426 118.4952 55.9103 33.6203 173.5995 143 D 5.4306 9.6008 127.9515 53.0713 43.4768 175.5983 144 V 4.7132 9.2681 122.8671 61.4113 34.6786 173.6701 145 H 5.4648 8.8652 124.7812 54.1522 31.3411 173.5428 146 F 6.1442 9.6971 121.7250 55.3032 42.2935 175.4271 147 T 4.6211 8.3297 113.6141 61.1849 71.5476 172.0898 148 Y 5.0789 5.8807 117.8432 57.9421 39.9747 173.2673 149 R 4.5111 8.8049 118.0871 57.3159 32.7408 176.1512 150 K 5.1434 8.1362 119.3579 54.9557 35.8949 174.5407 151 I 4.5866 8.7494 127.2730 59.3148 40.9476 174.1176 152 T 4.8203 8.3475 124.7494 61.3952 72.1444 173.0016 153 W 5.3588 9.4742 124.1835 55.2974 32.9768 174.6354 154 T 4.8434 8.1433 120.2578 62.0248 72.7884 172.4287 155 H 4.4291 9.2811 126.7019 54.6895 30.4632 175.3092 156 E 3.8704 8.5891 127.1871 59.0100 29.2943 178.7986 157 V 3.9626 8.0484 117.7511 64.2363 32.1907 176.4874 158 S 4.4714 8.4053 113.3973 57.6514 63.7647 173.6332 159 G 3.8056 8.3035 108.5227 47.1161 0.0000 173.3775 160 T 4.8749 7.3592 107.9394 59.9587 72.3040 173.4064 161 S 5.0601 8.4585 115.2537 58.2817 65.7587 173.5782 162 G 4.4922 9.1042 107.7327 46.1111 0.0000 171.6960 163 S 5.0853 8.5762 113.0304 58.0704 65.7767 173.8035 164 D 4.7911 8.8200 118.6058 53.1629 44.8995 174.3750 165 D 5.1161 8.8623 125.3530 53.8453 41.6212 176.0341 166 W 3.7187 8.6141 133.0075 57.9991 31.4790 175.9336 167 R 4.1779 7.3211 124.3974 56.8793 29.4811 174.4058 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 4.41 0.00 1.73 2.12 0.00 3.95 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 1.98 1.98 0.00 5 A 7.74 4.86 0.56 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 6 Y 8.25 5.15 0.00 2.76 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 *8 S 8.37 4.54 0.00 3.91 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.40 4.97 1.91 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.94 0.96 0.00 0.00 10 T 8.88 5.01 4.23 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 1.24 0.00 0.00 11 G 8.91 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.19 3.94 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 1.28 0.00 0.00 13 K 8.44 4.17 0.00 1.75 1.86 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.40 7.81 14 Q 8.30 4.28 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.54 0.00 0.00 0.00 0.00 0.00 2.31 2.62 0.00 15 G 7.73 3.80 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 0.00 0.00 0.00 16 L 8.20 4.49 0.00 1.74 1.60 0.96 0.98 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 17 I 8.47 3.71 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.82 0.94 0.00 0.00 18 T 7.83 4.40 4.35 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 1.25 0.00 0.00 19 A 7.98 4.32 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 20 G 9.10 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 21 A 7.92 4.32 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 22 F 8.36 5.17 0.00 3.44 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 23 T 7.25 4.56 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 24 E 7.61 3.69 0.00 1.74 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 2.15 1.47 0.00 25 D 7.91 4.32 0.00 2.56 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 26 S 7.48 4.34 0.00 4.07 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 27 V 7.52 4.45 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 1.04 0.00 0.00 0.92 0.00 0.00 28 G 8.01 3.82 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 0.00 0.00 0.00 29 N 8.96 4.38 0.00 2.70 2.87 0.00 0.00 6.85 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 30 T 7.52 4.13 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 1.25 0.00 0.00 31 Y 7.46 3.51 0.00 2.88 2.83 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 32 Q 6.75 3.80 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 33 E 7.09 4.19 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 34 G 8.62 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 35 H 7.66 5.12 0.00 2.74 2.75 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.51 4.41 0.00 2.12 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 0.00 2.47 2.54 0.00 37 D 7.98 5.05 0.00 2.67 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 38 Q 8.16 4.75 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 6.67 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 39 V 7.94 4.26 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 1.14 0.00 0.00 0.95 0.00 0.00 *41 V 8.23 3.99 1.73 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 0.97 0.00 0.00 0.78 0.00 0.00 42 Q 8.41 4.74 0.00 1.85 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.29 0.00 0.00 0.00 0.00 0.00 2.13 2.35 0.00 43 G 7.72 4.35 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 0.00 44 F 8.86 5.69 0.00 3.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.32 4.85 0.00 2.47 2.52 0.00 0.00 6.42 7.82 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 46 H 8.45 5.04 0.00 2.91 3.30 0.00 5.76 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.27 4.67 0.00 2.00 1.67 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 0.00 2.21 2.24 0.00 48 V 8.27 4.72 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 0.81 0.00 0.00 0.89 0.00 0.00 49 I 8.06 4.65 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.28 0.85 0.00 0.00 50 I 8.31 4.05 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.89 0.89 0.00 0.00 *61 G 8.25 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 0.00 0.00 0.00 62 Q 8.29 4.66 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 63 R 8.36 4.23 0.00 1.94 1.92 0.00 3.24 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 64 V 8.13 4.45 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.93 0.00 0.00 65 H 9.61 4.66 0.00 1.40 2.41 0.00 5.63 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.93 4.69 0.00 1.89 1.78 0.00 1.55 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.47 7.81 67 P 0.00 5.18 0.00 2.13 2.31 0.00 3.83 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 2.22 2.42 0.00 68 V 9.14 4.11 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 1.36 0.00 0.00 0.94 0.00 0.00 69 V 9.13 4.97 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 0.83 0.00 0.00 0.72 0.00 0.00 70 I 9.22 5.29 2.02 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.13 1.30 0.00 0.00 71 T 8.95 5.31 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 1.37 0.00 0.00 72 K 9.35 4.96 0.00 1.75 1.90 0.00 1.35 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.53 7.81 73 V 8.20 4.63 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 0.72 0.00 0.00 1.03 0.00 0.00 74 F 8.92 4.53 0.00 2.77 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.55 4.77 0.00 2.93 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.64 3.85 0.00 1.79 1.93 0.00 1.81 0.00 0.00 1.95 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.48 7.81 77 A 8.46 4.15 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.14 3.95 0.00 3.92 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 79 P 0.00 4.18 0.00 2.12 2.05 0.00 3.77 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 2.07 2.09 0.00 80 L 7.70 3.98 0.00 1.82 1.85 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.42 3.97 0.00 1.88 1.68 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.25 4.01 0.00 1.77 1.66 0.80 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.15 3.92 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 84 A 8.53 4.08 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.57 3.98 0.00 1.63 1.81 0.86 0.75 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 86 T 7.80 4.10 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 1.19 0.00 0.00 87 S 8.38 4.26 0.00 3.99 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 88 G 7.64 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 0.00 0.00 0.00 89 E 7.94 3.82 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 90 R 8.53 4.07 0.00 1.93 1.81 0.00 3.46 0.00 0.00 3.32 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 91 L 9.03 4.35 0.00 1.77 1.65 1.26 0.92 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 92 T 8.76 3.94 4.35 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 1.19 0.00 0.00 93 K 8.22 4.65 0.00 1.78 1.55 0.00 1.53 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.31 7.81 94 V 8.56 4.67 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 0.31 0.00 0.00 0.38 0.00 0.00 95 E 9.00 4.76 0.00 1.88 1.72 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 2.15 2.19 0.00 96 I 8.63 4.32 1.68 0.00 0.00 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 1.03 0.47 -0.04 0.00 0.00 97 Q 8.57 4.97 0.00 2.15 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.83 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 98 W 9.65 5.10 0.00 2.82 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 99 Y 9.04 5.62 0.00 3.05 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 0.00 100 R 8.91 4.78 0.00 1.62 1.60 0.00 2.27 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.46 0.00 101 T 8.35 4.77 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 1.22 0.00 0.00 102 S 9.38 4.42 0.00 4.04 4.14 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 0.00 0.00 0.00 103 A 8.56 3.86 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.79 4.27 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.82 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 0.00 106 T 7.67 4.78 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 1.26 0.00 0.00 107 Q 8.91 4.77 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.72 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 108 E 9.64 4.87 0.00 2.00 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 0.00 2.36 2.31 0.00 109 H 8.91 4.17 0.00 2.22 3.07 0.00 5.68 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Y 9.07 4.75 0.00 3.05 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 0.00 111 Y 7.06 4.80 0.00 1.62 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 0.00 0.00 0.00 112 T 8.05 5.42 4.14 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 0.00 0.00 1.25 0.00 0.00 113 T 9.28 4.75 4.45 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 0.00 0.00 1.24 0.00 0.00 114 V 8.32 4.59 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.84 0.00 0.00 115 L 8.70 4.84 0.00 1.32 1.18 0.59 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 116 E 9.07 4.93 0.00 1.87 1.82 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 2.18 2.19 0.00 117 D 8.24 4.52 0.00 2.78 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 0.00 118 A 7.70 4.61 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 0.00 119 I 9.32 4.88 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.80 0.88 0.00 0.00 120 I 8.46 4.38 1.78 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 0.91 0.49 0.73 0.00 0.00 121 V 8.03 4.30 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 0.59 0.00 0.00 0.96 0.00 0.00 122 D 7.23 4.37 0.00 2.60 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 I 8.45 5.16 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.67 0.92 0.00 0.00 124 K 8.97 4.60 0.00 1.85 1.77 0.00 1.49 0.00 0.00 1.33 0.00 0.00 2.35 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.50 1.40 7.81 125 D 8.70 5.64 0.00 2.79 3.06 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 0.00 126 Y 8.50 4.55 0.00 3.18 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 *139 T 8.16 3.96 4.14 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 0.00 0.00 0.98 0.00 0.00 140 H 7.50 4.42 0.00 2.71 2.20 0.00 5.66 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.04 5.05 0.00 0.46 1.00 0.90 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.64 5.22 0.00 2.42 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 143 D 9.60 5.43 0.00 2.78 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 0.00 144 V 9.27 4.71 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 0.06 0.00 0.00 0.92 0.00 0.00 145 H 8.87 5.46 0.00 3.06 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 9.70 6.14 0.00 3.00 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 0.00 147 T 8.33 4.62 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 1.14 0.00 0.00 148 Y 5.88 5.08 0.00 3.11 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 0.00 149 R 8.80 4.51 0.00 1.90 2.09 0.00 3.10 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 150 K 8.14 5.14 0.00 1.88 1.59 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.63 7.81 151 I 8.75 4.59 1.08 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.73 0.74 0.00 0.00 152 T 8.35 4.82 4.05 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 1.13 0.00 0.00 153 W 9.47 5.36 0.00 3.20 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 0.00 154 T 8.14 4.84 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 1.14 0.00 0.00 155 H 9.28 4.43 0.00 3.31 3.19 0.00 5.78 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.59 3.87 0.00 1.76 1.87 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 2.08 1.92 0.00 157 V 8.05 3.96 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 0.85 0.00 0.00 1.01 0.00 0.00 158 S 8.41 4.47 0.00 3.64 3.80 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 0.00 159 G 8.30 3.81 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 0.00 0.00 0.00 160 T 7.36 4.87 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 161 S 8.46 5.06 0.00 3.97 3.80 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 0.00 162 G 9.10 4.49 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 0.00 0.00 0.00 163 S 8.58 5.09 0.00 3.89 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 0.00 164 D 8.82 4.79 0.00 3.12 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 D 8.86 5.12 0.00 2.66 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 0.00 166 W 8.61 3.72 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 0.00 167 R 7.32 4.18 0.00 1.81 1.78 0.00 3.27 0.00 0.00 3.64 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 * Residues marked with a * may have inaccurate shift predictions.