NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4721 8.1933 119.0035 58.5893 65.0291 171.8557 1 L 4.9259 7.9993 116.5501 54.2662 45.3052 174.8614 2 T 4.7262 9.5820 121.0535 61.7982 72.0364 172.8871 3 L 5.2431 8.7522 126.5069 54.1370 43.3047 176.0643 4 R 4.8744 8.8340 117.4162 54.7425 33.2906 174.2139 5 L 4.1926 8.6192 120.1794 54.7150 42.1162 177.2326 6 A 4.4422 8.6238 125.4752 52.2188 19.2643 176.5070 7 E 4.7687 9.5300 118.5800 53.8223 33.8849 176.7261 8 H 4.2552 9.1346 119.6670 59.7388 29.5464 177.0799 9 R 4.1532 7.9952 114.6251 58.0994 29.5422 177.2819 10 D 4.5524 8.3696 120.1538 55.5759 41.0544 177.8183 11 L 3.1574 7.2977 121.7649 57.9562 41.8140 178.3842 12 E 3.7959 8.0036 118.0882 59.4956 29.4965 178.6534 13 A 4.0645 7.8710 120.0916 54.9455 18.5132 179.6185 14 V 3.5882 8.0351 117.2426 66.2248 31.5932 178.5400 15 V 3.5997 8.0469 118.0634 65.7453 31.3507 177.7875 16 A 4.0599 8.1649 120.6217 55.3101 18.0235 179.6846 17 I 3.7797 7.9558 117.2139 64.6006 37.6470 177.6126 18 Y 4.1955 8.3606 120.3678 61.0785 38.6536 178.2143 19 N 4.3837 8.9090 117.7714 56.0921 38.3792 177.4525 20 S 4.2647 8.0191 115.0317 60.7524 62.9039 175.7050 21 T 4.2534 7.7009 112.2310 62.8082 69.0746 176.8142 22 I 3.4100 7.3080 123.0045 64.2499 36.8722 177.6761 23 A 3.9910 7.9750 121.2598 55.3290 18.1517 178.9447 24 S 4.1350 7.5062 107.8672 59.3479 63.1666 174.5834 25 R 3.3479 7.5448 117.1576 57.8588 26.9370 176.2349 *27 V 3.8702 7.7836 117.4367 59.7328 34.1636 175.2675 28 T 4.6331 7.7704 110.8144 60.7849 69.2339 173.3381 29 A 4.7640 8.5712 127.2772 52.0576 19.0652 176.6232 30 D 5.0665 7.8525 117.5824 53.6691 42.9574 176.5755 31 T 4.4070 8.4332 111.5342 61.5373 70.3006 174.3474 32 E 4.7586 7.7833 120.9931 53.2309 32.6645 173.8593 33 P 4.5209 0.0000 0.0000 63.2044 31.8490 176.1465 34 V 4.3478 8.6381 114.3031 60.1115 34.0053 175.2272 35 T 4.6575 8.3594 110.8218 59.0849 71.1876 173.7250 36 P 4.0933 0.0000 0.0000 66.5592 31.5804 179.4085 37 E 4.0223 7.5127 112.7047 58.8967 29.6623 180.3309 38 D 4.5945 8.0523 117.4239 56.0420 41.2389 177.0317 39 R 4.4617 7.4618 119.0012 54.0684 30.2465 175.6105 *41 E 4.2545 8.1783 120.7548 56.0032 31.8965 178.0911 42 W 4.1595 8.5099 125.9436 60.5363 30.7679 177.1067 43 F 3.5259 8.6431 120.5353 61.4484 38.6975 177.1693 44 S 4.2208 8.0488 111.9603 60.2113 62.8451 175.9940 45 G 3.5750 7.4614 107.8338 45.8314 0.0000 173.8100 46 H 4.3025 6.7431 118.3821 55.6372 29.6032 174.3226 47 T 4.6412 8.0914 111.3082 59.4842 71.7159 174.3362 48 E 3.8107 8.7146 121.2431 58.8064 29.6571 177.6576 49 S 4.5001 7.3042 109.5729 59.0670 64.2633 174.6227 50 R 4.5833 7.6139 120.0381 53.5851 30.2210 172.3278 51 P 4.8647 0.0000 0.0000 61.4721 34.7295 174.9557 52 L 5.0325 7.7525 121.0361 53.4663 44.2658 174.3521 53 Y 5.2300 9.4877 124.0709 56.3869 41.2251 175.2050 54 V 5.1973 9.0743 115.3646 59.6279 35.7695 174.3408 55 A 5.3319 9.1933 125.1500 50.4191 21.1417 175.2337 56 E 5.1957 9.1143 122.9058 54.7199 32.1859 176.3698 57 D 4.9140 9.2038 123.5135 51.4871 40.7809 176.9158 58 E 3.9887 8.6620 116.5910 58.6342 29.2900 177.2436 59 N 4.6234 8.6635 116.2806 52.8849 38.9227 175.8983 60 G 3.9895 8.4885 107.2858 45.2309 0.0000 173.4160 61 N 4.6666 7.9766 117.5153 51.7025 39.7216 174.5978 62 V 4.0934 8.4650 122.3578 63.3264 31.7739 175.1885 63 A 4.7707 9.0089 129.1082 52.2442 21.0231 175.3853 64 A 5.0057 7.8507 115.5747 51.4558 22.7851 174.8787 65 W 5.8448 8.6596 115.1792 55.5397 32.3959 173.9282 66 I 5.1525 9.4939 121.7937 59.7368 40.2155 174.3413 67 S 5.3546 9.6402 122.1744 56.5777 65.2225 172.3775 68 F 5.3482 9.2038 125.8866 56.0476 40.6402 175.0816 69 E 5.0337 9.4545 122.5459 54.3546 33.8783 175.7202 70 T 4.3811 8.5636 111.9447 61.8929 69.8030 174.4352 71 F 5.3226 8.9828 125.1600 60.0875 39.9196 175.3321 72 Y 4.5046 7.7516 119.0173 55.7300 41.9302 175.9335 73 G 3.8173 7.7544 117.5904 45.0355 0.0000 173.1335 74 R 4.7018 7.4454 118.4946 53.9816 34.1218 173.4666 75 P 4.7162 0.0000 0.0000 65.0075 31.5621 178.2674 76 A 3.8587 8.2030 119.4947 54.8808 18.3863 177.4781 77 Y 4.7592 8.3197 112.0035 57.9460 38.4198 177.2264 78 N 4.3353 8.4667 121.2670 56.3367 38.9616 176.2472 79 K 4.6976 8.1562 115.2244 56.3481 33.5260 175.7869 80 T 5.3043 8.2814 117.6217 61.8561 70.7302 173.4092 81 A 5.1678 9.3173 126.7866 50.6545 23.6897 174.1581 82 E 5.1827 9.6825 118.7524 54.6802 32.4900 175.7906 83 V 4.8705 8.5580 122.3457 59.8224 33.9808 174.8516 84 S 4.7943 9.1829 119.3637 56.4573 65.9277 172.8954 85 I 4.8753 8.1041 123.5083 59.6063 40.1026 174.2491 86 Y 4.3040 7.9673 124.2255 55.8677 41.1317 174.7273 87 I 4.7887 8.0380 123.3133 58.9153 40.6390 174.8712 88 D 4.3392 8.9828 126.2851 54.7596 41.5327 176.8079 89 E 3.3836 9.0298 126.7736 59.4276 29.7140 178.5082 90 A 4.1984 8.3530 119.7354 53.9780 18.5110 177.4865 91 C 4.5712 8.7211 115.7040 59.7140 28.8160 175.0758 92 R 3.8838 7.5055 119.2447 57.5034 29.7737 181.3173 93 G 3.7109 9.4599 111.3443 45.9852 0.0000 174.7731 94 K 4.4640 7.6343 113.5504 53.9576 35.2076 179.0048 95 G 3.9950 8.3631 106.7224 47.0388 0.0000 175.7784 96 V 3.7444 7.8638 120.9219 65.6110 31.4735 178.0031 97 G 3.6535 8.1080 105.0707 47.9842 0.0000 175.1770 98 S 3.9915 8.0129 115.3018 61.1432 62.4501 175.4678 99 Y 4.0176 7.6715 120.9848 60.7186 38.4934 177.9266 100 L 3.8149 8.1540 120.0975 57.6488 41.6240 179.3338 101 L 3.6641 7.8390 120.3129 57.9225 41.9407 178.6630 102 Q 3.7920 7.7296 119.5142 59.2940 28.9401 178.3153 103 E 3.7379 7.8760 119.2257 59.1351 29.3549 179.0797 104 A 4.1488 8.1297 121.1593 55.4023 18.2388 179.7751 105 L 4.0948 7.9803 116.4457 57.6258 41.6899 179.4306 106 R 4.0247 7.6055 118.3707 59.2858 30.3076 178.3574 107 I 3.7673 7.9987 119.4842 64.0975 37.0842 177.8850 108 A 3.7270 8.2659 122.2495 55.1026 18.2565 177.8986 109 P 4.1861 0.0000 0.0000 65.8180 31.2206 178.1569 110 N 4.5790 7.9760 113.1856 54.7376 38.6460 176.2637 111 L 4.3967 7.7228 119.4889 54.1350 42.0767 177.2221 112 G 3.8733 7.6689 107.0494 45.6950 0.0000 173.3948 113 I 4.2426 7.5273 120.2888 60.6174 38.1098 175.3568 114 R 4.4623 9.1858 125.9297 56.6933 32.0213 176.0594 115 S 5.2285 8.0871 114.8455 56.6328 66.2216 173.3965 116 L 5.8235 9.0654 125.8908 52.1826 45.8812 174.5090 *118 A 4.4139 8.2184 121.2781 51.7344 20.0791 175.6064 119 F 4.7299 8.9476 120.8375 55.9905 40.4328 175.3886 120 I 4.3307 8.1924 124.8607 58.7673 40.9309 175.4678 121 F 4.9581 8.4526 125.1108 57.6838 39.3696 176.7606 122 G 3.7538 9.3176 112.8700 48.6730 0.0000 174.0068 123 H 4.6221 8.3807 112.6642 55.9750 29.5896 175.6706 124 N 4.6174 7.9334 121.8435 51.9946 37.3849 174.9936 125 K 3.9084 8.1316 122.4902 58.6379 32.6343 176.4517 126 P 4.2394 0.0000 0.0000 65.9361 31.3324 178.8593 127 S 4.2100 8.1624 113.3437 61.4756 62.6750 176.7592 128 L 4.0053 8.0301 124.2495 58.3391 41.4674 180.4151 129 K 4.0415 8.4417 124.0607 59.4375 31.4200 180.6415 130 L 4.1294 7.7597 120.6880 58.3551 42.3555 178.9051 131 F 3.8649 8.3886 117.4650 60.5339 38.5598 177.5963 132 E 4.5475 8.0892 118.4629 58.5139 29.2934 179.0104 133 K 4.2282 7.9111 116.9803 58.0640 32.2339 177.1320 134 H 4.8089 8.2300 116.2077 55.5044 29.0814 175.9108 135 G 3.9488 8.5711 107.7139 45.2649 0.0000 174.5126 136 F 4.3826 8.1305 118.4423 56.8951 40.1003 174.1543 137 A 4.8682 8.3064 124.8584 49.7255 22.7757 174.9867 138 E 4.3357 8.8673 121.1871 56.3906 29.5707 176.4913 139 W 4.8924 9.2307 127.5231 57.5312 30.5319 176.3747 140 G 4.0496 7.5988 104.7511 45.5386 0.0000 172.4912 141 L 4.8516 8.4084 122.1998 53.6059 45.0571 175.5239 142 F 5.2421 9.1578 127.4477 55.0869 39.9523 173.4256 143 P 4.7231 0.0000 0.0000 63.3571 32.2810 176.8142 144 G 4.7755 9.6427 113.6663 46.2622 0.0000 173.9657 145 I 3.9856 7.4910 112.0020 61.3339 38.3856 175.3033 146 A 4.7806 8.0264 125.3456 50.3386 20.5541 175.2854 147 E 5.7428 8.3935 122.1128 53.6726 32.5272 174.9071 *149 D 4.4053 8.3735 119.7168 54.2042 42.2229 177.3476 150 G 3.9228 8.6135 104.9042 45.7330 0.0000 174.1184 151 K 4.5619 7.4728 119.0564 54.2447 34.8424 175.0963 152 R 5.0815 8.1101 120.6980 55.1099 31.8954 175.3309 153 Y 4.6844 9.4234 120.7801 56.2294 41.9218 174.5261 154 D 5.2800 8.6982 121.5060 53.4660 43.4222 174.9706 155 L 5.1405 8.8676 124.1007 53.4394 44.4886 175.1689 156 K 4.7847 9.1072 126.2744 54.8987 34.8625 175.4188 157 I 4.2727 8.1480 124.7437 59.3795 39.4315 174.5277 158 L 4.8786 8.2916 127.4688 52.8693 43.9655 176.1943 159 G 2.3744 7.8718 108.6880 44.0668 0.0000 171.3134 160 R 4.6636 7.8326 119.9327 54.5479 33.8632 173.2356 161 E 4.7695 8.8137 127.5477 55.5441 30.0522 175.4456 162 L 4.2421 9.2665 128.1711 57.5870 42.1552 178.4119 163 S 4.1023 8.2461 117.4249 59.1857 63.3631 175.0392 164 E 4.1715 8.7646 119.5837 56.2702 29.4193 174.1243 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 S 8.19 4.47 0.00 3.44 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 L 8.00 4.93 0.00 1.37 1.63 1.00 0.56 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 2 T 9.58 4.73 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 3 L 8.75 5.24 0.00 1.58 1.66 0.80 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.83 4.87 0.00 1.94 2.06 0.00 2.83 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 5 L 8.62 4.19 0.00 1.50 1.48 0.88 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.62 4.44 1.14 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 0.00 0.00 7 E 9.53 4.77 0.00 2.01 1.85 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 2.22 2.45 0.00 8 H 9.13 4.26 0.00 3.29 3.33 0.00 5.67 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 9 R 8.00 4.15 0.00 2.01 2.06 0.00 3.09 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 10 D 8.37 4.55 0.00 2.99 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 11 L 7.30 3.16 0.00 0.48 1.23 0.31 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.00 3.80 0.00 1.97 1.88 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 2.36 2.32 0.00 13 A 7.87 4.06 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 14 V 8.04 3.59 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 0.18 0.00 0.00 0.85 0.00 0.00 15 V 8.05 3.60 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 0.89 0.00 0.00 0.83 0.00 0.00 16 A 8.16 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 17 I 7.96 3.78 2.47 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.92 1.05 0.00 0.00 18 Y 8.36 4.20 0.00 3.25 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 19 N 8.91 4.38 0.00 2.92 2.88 0.00 0.00 6.85 7.15 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 20 S 8.02 4.26 0.00 4.06 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 21 T 7.70 4.25 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 1.32 0.00 0.00 22 I 7.31 3.41 1.91 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 0.75 0.92 0.00 0.00 23 A 7.98 3.99 1.27 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 24 S 7.51 4.13 0.00 3.84 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 25 R 7.54 3.35 0.00 1.86 1.68 0.00 3.21 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.77 0.00 *27 V 7.78 3.87 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 0.71 0.00 0.00 0.93 0.00 0.00 28 T 7.77 4.63 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 1.05 0.00 0.00 29 A 8.57 4.76 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 30 D 7.85 5.07 0.00 2.72 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 31 T 8.43 4.41 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 1.19 0.00 0.00 32 E 7.78 4.76 0.00 1.94 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 2.20 2.20 0.00 33 P 0.00 4.52 0.00 2.19 2.07 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 34 V 8.64 4.35 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 0.81 0.00 0.00 0.97 0.00 0.00 35 T 8.36 4.66 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 1.23 0.00 0.00 36 P 0.00 4.09 0.00 2.13 2.04 0.00 3.56 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 37 E 7.51 4.02 0.00 2.05 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 2.26 2.15 0.00 38 D 8.05 4.59 0.00 2.74 2.71 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 0.00 0.00 0.00 39 R 7.46 4.46 0.00 1.77 1.88 0.00 3.03 0.00 0.00 2.74 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.35 0.00 *41 E 8.18 4.25 0.00 2.08 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 2.32 2.27 0.00 42 W 8.51 4.16 0.00 3.20 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.64 3.53 0.00 3.23 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 44 S 8.05 4.22 0.00 3.86 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 45 G 7.46 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 46 H 6.74 4.30 0.00 2.63 3.10 0.00 5.80 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 47 T 8.09 4.64 4.18 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 1.14 0.00 0.00 48 E 8.71 3.81 0.00 1.90 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 2.26 2.26 0.00 49 S 7.30 4.50 0.00 4.06 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 50 R 7.61 4.58 0.00 1.85 2.10 0.00 3.43 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 51 P 0.00 4.86 0.00 1.45 2.04 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.90 0.00 52 L 7.75 5.03 0.00 0.76 0.90 0.89 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 9.49 5.23 0.00 3.08 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 54 V 9.07 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0.00 0.00 0.00 1.25 0.00 0.00 71 F 8.98 5.32 0.00 3.15 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 7.75 4.50 0.00 2.03 2.34 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 73 G 7.75 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 74 R 7.45 4.70 0.00 2.10 2.41 0.00 3.62 0.00 0.00 4.00 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.85 0.00 75 P 0.00 4.72 0.00 2.26 2.14 0.00 4.03 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 2.16 2.11 0.00 76 A 8.20 3.86 1.04 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 77 Y 8.32 4.76 0.00 3.53 3.31 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 78 N 8.47 4.34 0.00 2.83 2.95 0.00 0.00 6.95 7.62 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 79 K 8.16 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8.13 4.15 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 0.00 105 L 7.98 4.09 0.00 1.75 1.76 0.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 106 R 7.61 4.02 0.00 1.77 2.04 0.00 3.23 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 107 I 8.00 3.77 2.03 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.40 0.69 0.00 0.00 108 A 8.27 3.73 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.19 0.00 2.15 2.11 0.00 3.63 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 110 N 7.98 4.58 0.00 2.80 2.84 0.00 0.00 7.03 7.94 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 0.00 111 L 7.72 4.40 0.00 1.57 1.72 0.09 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 0.00 112 G 7.67 3.87 0.00 0.00 0.00 0.00 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0.00 0.00 1.37 1.31 7.81 130 L 7.76 4.13 0.00 1.69 1.96 0.87 0.48 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 0.00 131 F 8.39 3.86 0.00 2.93 2.71 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 0.00 0.00 0.00 132 E 8.09 4.55 0.00 2.19 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 2.55 2.38 0.00 133 K 7.91 4.23 0.00 1.88 1.77 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.69 7.81 134 H 8.23 4.81 0.00 3.25 3.37 0.00 5.86 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 0.00 135 G 8.57 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 0.00 136 F 8.13 4.38 0.00 3.26 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 0.00 137 A 8.31 4.87 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 0.00 138 E 8.87 4.34 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 139 W 9.23 4.89 0.00 3.20 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 0.00 140 G 7.60 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 0.00 0.00 0.00 0.00 141 L 8.41 4.85 0.00 1.74 1.55 0.94 0.82 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 0.00 142 F 9.16 5.24 0.00 3.02 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 0.00 143 P 0.00 4.72 0.00 2.16 2.26 0.00 4.00 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.04 0.00 144 G 9.64 4.78 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 0.00 145 I 7.49 3.99 1.98 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.85 1.09 0.00 0.00 146 A 8.03 4.78 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 0.00 147 E 8.39 5.74 0.00 1.95 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 2.21 2.39 0.00 *149 D 8.37 4.41 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.61 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 K 7.47 4.56 0.00 1.87 1.28 0.00 1.48 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.41 7.81 152 R 8.11 5.08 0.00 1.61 1.83 0.00 3.14 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 153 Y 9.42 4.68 0.00 2.57 2.51 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 0.00 154 D 8.70 5.28 0.00 2.72 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 0.00 155 L 8.87 5.14 0.00 2.03 1.69 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 156 K 9.11 4.78 0.00 1.76 1.53 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.37 7.81 157 I 8.15 4.27 1.54 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.33 0.43 0.00 0.00 158 L 8.29 4.88 0.00 1.10 1.48 0.72 0.79 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 0.00 159 G 7.87 2.37 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 0.00 160 R 7.83 4.66 0.00 0.67 0.66 0.00 2.77 0.00 0.00 2.61 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.30 0.00 161 E 8.81 4.77 0.00 2.15 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 2.27 2.53 0.00 162 L 9.27 4.24 0.00 1.51 1.70 0.94 1.10 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 0.00 163 S 8.25 4.10 0.00 3.89 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 0.00 164 E 8.76 4.17 0.00 1.98 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 2.23 1.88 0.00 * Residues marked with a * may have inaccurate shift predictions.