NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2385 8.2993 121.7900 55.7582 34.3745 175.7994 5 T 4.5075 7.7477 108.9386 59.0132 72.5755 173.6541 6 I 3.7313 8.3533 122.2479 64.3904 37.3766 179.4719 7 E 4.0571 8.1609 119.7330 59.5208 29.4861 178.4870 8 D 4.4095 8.0978 118.9068 57.3305 40.7876 178.9455 9 V 3.6112 7.8523 118.7609 65.9038 31.4920 177.8273 10 F 4.1547 8.7855 120.7654 61.4152 39.2458 176.9111 11 I 3.4991 8.3056 118.6682 64.1091 37.7640 177.1908 12 H 4.0789 8.4578 119.2789 59.4844 29.7202 177.2995 13 L 3.8275 8.0532 120.8536 57.5261 41.2768 179.3776 14 L 3.6738 7.7257 120.5065 58.1143 41.9524 179.2377 15 S 4.0608 8.0931 115.2870 61.3795 62.5429 176.2312 16 D 4.2712 8.0206 120.8864 57.6942 40.9300 178.4457 17 T 3.8410 7.9843 116.3838 66.5320 68.3289 175.9558 18 Y 3.9885 8.2857 121.8631 60.7921 38.7779 178.1857 19 S 4.0956 8.2325 113.7469 61.3263 62.4604 175.8628 20 A 3.9930 8.2542 123.7298 55.3872 18.1744 179.5075 21 E 3.9212 8.4403 117.2765 59.1608 28.7719 179.3978 22 K 3.7300 7.8367 119.6749 59.7547 32.3359 178.9189 23 Q 4.1856 8.1823 118.2990 58.7783 28.5569 178.3545 24 L 3.9313 8.2702 122.1314 58.1414 41.4978 178.9096 25 T 3.7483 7.8429 109.7701 65.0518 68.4742 176.4778 26 R 3.8579 7.4109 121.2890 58.6665 30.0808 178.7656 27 A 3.9399 7.7965 120.3536 55.3804 18.2580 179.7414 28 L 3.8277 8.3558 117.5019 57.6939 41.4047 179.6217 29 A 4.0087 7.4767 119.3198 54.9602 18.6344 179.5931 30 K 4.0353 7.8574 116.5782 59.5540 32.1461 179.5670 31 L 3.6502 8.0381 119.4258 57.6338 41.1309 179.4299 32 A 4.2590 7.9272 119.7649 54.8926 18.4016 178.9950 33 R 4.2700 7.5422 113.2086 56.8561 30.6635 177.5722 34 A 4.3395 7.7298 119.9892 51.9763 19.3247 176.9139 35 T 4.6527 7.1071 111.0195 60.1657 70.5468 173.5533 36 S 4.3826 8.6089 120.2957 58.6537 63.9378 174.3336 37 N 4.5529 8.1522 121.2485 52.7421 38.7208 174.3150 38 E 3.9528 8.7619 129.6385 59.5558 29.6242 178.7227 39 K 3.9697 8.0447 117.7877 59.1747 32.1450 179.0390 40 L 3.7395 9.1541 121.5551 57.9848 42.0652 178.6262 41 S 4.3050 8.4736 113.5869 61.9210 62.2413 176.3667 42 Q 4.0641 8.3480 120.2782 58.8318 28.3811 178.5753 43 A 3.9623 7.6993 121.7121 55.0695 18.3562 179.7591 44 F 4.4343 8.1006 116.4810 60.9804 39.0988 177.4929 45 H 4.2879 8.6030 117.8544 59.0922 29.6785 177.2282 46 A 3.9843 8.6684 123.1053 55.4924 18.1760 179.1648 47 H 4.3051 8.5465 116.7230 59.0005 29.7640 177.2501 48 L 3.9110 8.0117 122.5751 58.0167 41.8811 178.8998 49 E 3.9444 8.0130 118.0400 59.4802 29.5107 178.8230 50 E 3.9654 8.2585 119.2838 59.6940 29.5808 179.0704 51 T 4.1422 8.1636 117.5327 66.3329 68.4626 176.4744 52 H 4.2534 8.1221 118.2051 58.7363 28.6981 178.1269 53 G 3.6477 8.1135 107.6966 47.8402 0.0000 175.8713 54 Q 4.0873 8.1722 120.2626 58.6328 28.7643 178.7642 55 I 3.8084 7.7893 121.2169 64.3181 37.2104 178.1865 56 E 4.3061 8.0450 120.4312 58.9435 29.2778 179.4240 57 R 3.9877 7.9992 118.6850 59.4150 30.0942 178.6847 58 I 3.8848 7.8840 119.8960 64.3810 37.0758 178.0677 59 D 4.4275 8.1440 119.6716 57.4270 40.6693 178.8421 60 Q 4.1175 8.0190 118.3898 58.8527 28.4827 178.9205 61 V 3.6300 7.6854 118.2898 66.0099 31.5993 177.9161 62 V 3.7337 7.9358 117.9361 66.1855 31.1977 177.8748 63 E 4.0487 8.1759 116.9105 58.7466 29.3678 178.9236 64 S 4.3855 7.7312 113.2398 59.1481 63.4618 174.0666 65 E 4.4508 7.4872 122.3669 54.4065 32.7299 176.1159 66 S 4.1067 9.0151 120.7556 61.7531 63.0057 175.7318 67 N 4.5163 7.9151 115.5365 54.7280 37.6940 175.5728 68 L 4.1750 7.4139 119.0021 54.8447 42.1469 175.7391 69 K 4.4344 8.0618 121.0924 55.7097 35.2101 174.6018 70 I 4.3162 7.9285 121.5286 59.1683 39.0153 175.5974 71 K 4.3615 8.7118 125.8843 54.7641 33.1814 176.8831 72 R 3.8501 8.2220 123.4760 56.0004 30.7107 175.6541 *74 K 3.8829 8.3472 124.5103 56.2075 32.8696 174.7398 75 C 4.5902 8.7994 127.0968 58.0314 31.0419 173.1931 76 V 3.6295 8.4014 128.4322 65.8437 31.6052 178.1714 77 A 3.7147 7.8686 118.5482 53.0614 17.9627 178.2035 *79 E 4.2329 8.3694 121.3834 57.4645 31.5456 178.3555 80 G 3.5493 7.9954 105.3456 47.8053 0.0000 175.7523 81 L 3.9810 7.7824 121.4244 57.4630 41.4554 179.6808 82 I 3.7860 7.5557 119.4577 64.1954 37.1475 178.0771 83 E 3.9258 8.2467 119.5695 58.9393 29.3526 178.9757 84 E 3.8612 8.2187 119.4569 59.2588 29.7544 178.7663 85 A 4.0496 7.8477 120.6163 55.2011 18.4541 179.1231 86 N 4.2265 8.4426 115.8137 56.8079 38.7481 176.9383 87 E 4.1579 8.1471 119.4199 59.0390 29.7245 179.3078 88 V 3.7380 7.2922 117.4004 65.8945 31.4712 177.9216 89 I 3.6206 7.5142 118.1290 64.6296 36.9535 176.9669 90 E 4.2426 8.4741 116.5321 56.6228 29.4753 176.7723 91 S 4.5349 7.5868 115.0735 57.7770 64.6519 173.9827 92 T 4.4277 8.1324 108.1329 61.3577 68.7220 174.7003 93 E 4.0994 7.7926 121.7232 57.1273 30.2196 176.2263 94 K 4.6516 8.2051 120.9565 55.3414 37.3497 180.1579 95 N 3.9006 8.6951 119.9748 53.1096 39.5049 176.7848 96 E 4.5661 9.0783 121.0777 58.5697 29.4833 178.0689 97 V 3.5180 7.6697 117.9070 65.9495 31.8071 177.6298 98 R 4.0294 7.7598 118.4248 59.9475 29.8373 178.2394 99 D 4.4319 8.7083 118.5081 57.0619 40.7268 178.6591 100 A 3.9729 8.0579 121.2831 55.0801 18.4103 179.5898 101 A 3.9720 7.9814 119.0633 55.1875 18.3892 179.8779 102 L 4.0249 8.1332 117.5556 58.0409 41.6841 179.8584 103 I 3.7587 8.1345 119.6510 64.3472 37.1678 178.3595 104 A 3.9935 8.2528 121.4437 55.1059 18.3152 179.5465 105 A 3.9625 8.6551 119.4582 55.3370 18.5033 179.7775 106 A 4.1254 8.4498 119.4412 55.4097 18.3686 179.8830 107 Q 4.0894 8.3762 116.7159 58.7233 28.7085 178.9706 108 K 4.0358 7.9149 119.5688 59.3535 32.0426 179.4745 109 V 3.6832 7.8126 118.3384 66.1402 31.3537 178.0093 110 E 4.0701 8.3719 118.4203 59.4226 29.3378 178.6352 111 H 4.1047 8.5653 118.7677 59.4352 29.9071 176.6801 112 Y 4.1001 8.1904 121.1727 60.8133 38.6082 177.8069 113 E 4.0288 8.6198 119.5847 59.4706 29.5602 179.3148 114 I 3.7368 8.1537 119.8631 64.5514 37.2269 178.3421 115 A 3.9490 7.8639 121.2410 55.1272 18.0780 179.8914 116 S 3.7747 7.8578 113.6043 62.0794 62.8398 176.6587 117 Y 4.0858 8.3766 119.5825 60.5056 37.6065 178.6188 118 G 3.6199 8.3786 107.2559 48.0501 0.0000 175.9526 119 T 3.8880 7.8516 118.4662 66.3487 68.4469 176.8303 120 L 4.1803 8.1265 120.7416 57.7733 41.5630 179.4633 121 A 4.1249 8.4681 121.0365 55.5242 18.2996 179.8954 122 T 3.8158 7.9287 114.0717 66.6492 68.5234 176.9969 123 L 3.8945 8.1485 120.6873 57.7183 41.7173 179.3307 124 A 3.2530 8.2319 120.9682 55.0100 18.3371 179.4774 125 E 3.8461 8.2406 117.0310 59.7845 29.4024 179.6743 126 Q 4.0542 8.1921 116.3339 57.7673 28.8221 177.5393 127 L 4.1472 7.1527 118.3759 53.7912 41.8874 177.1652 128 G 3.8119 7.3692 107.0356 46.6482 0.0000 175.1859 129 Y 4.8544 7.2640 120.2023 55.7913 35.9555 175.7544 130 R 3.8855 8.1850 123.8995 59.4598 30.5737 177.3953 131 K 3.9486 8.1180 118.3741 59.3066 32.2039 178.4494 132 A 4.0237 8.0460 120.3520 55.1843 18.4929 179.0712 133 A 4.0355 8.2112 119.3861 55.4581 18.1843 180.0094 134 K 3.9538 7.8393 115.6031 59.5817 32.5583 179.3298 135 L 4.1751 8.0034 119.1921 57.9312 41.5225 179.6428 136 L 4.2260 8.5423 119.2954 57.7561 41.5180 179.7129 137 K 4.0556 8.3681 118.3547 58.9981 32.0456 179.3417 138 E 3.9526 7.9813 119.1115 59.6259 29.3239 179.4086 139 T 3.6737 7.6655 115.3216 66.1625 68.4990 176.1210 140 L 3.8507 7.9019 122.5760 58.5777 42.0185 179.1121 141 E 3.9943 8.2859 118.1350 59.3582 29.2996 179.2829 142 E 3.9341 7.9580 118.4235 59.4314 29.4233 179.2338 143 E 4.0352 8.3334 118.7843 59.1711 29.4133 179.5982 144 K 3.9443 8.1167 118.5022 59.4063 32.1535 179.3070 145 A 3.9760 8.1879 121.1632 55.3713 18.2596 179.8386 146 T 3.7686 8.3294 114.8278 66.6893 68.4866 176.4133 147 D 4.3035 8.2844 120.2731 57.4333 41.2969 178.3482 148 I 3.7174 7.9434 120.4576 64.2111 37.0520 178.3549 149 K 4.0908 8.1272 120.5471 59.4637 31.9641 178.9295 150 L 3.9507 7.8669 119.3521 58.0020 41.3912 179.6708 151 T 3.8969 7.9335 115.8300 66.6162 68.3792 176.5709 152 D 4.3339 8.1781 120.8834 57.3527 40.7113 178.9046 153 L 3.9678 7.9337 119.3580 57.5204 41.5711 179.3272 154 A 3.9667 8.0995 120.9065 55.1130 18.3263 179.6251 155 I 3.6273 7.9418 118.4501 64.7283 37.3287 178.2737 156 N 4.2995 8.1984 117.1318 56.5380 38.2667 177.0278 157 N 4.3477 8.4844 118.5528 56.5754 38.7654 177.1416 158 V 3.6477 7.7618 119.2204 65.3439 31.7333 176.8187 159 N 4.7529 7.7670 113.3672 51.6221 38.9896 175.1785 160 K 3.8740 7.1065 122.3014 56.9596 32.6891 176.5645 161 K 4.1698 8.3851 124.2575 56.8824 33.0980 175.8576 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 K 8.30 4.24 0.00 1.74 1.92 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 5 T 7.75 4.51 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 1.22 0.00 0.00 6 I 8.35 3.73 1.83 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.72 0.86 0.00 0.00 7 E 8.16 4.06 0.00 2.05 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 2.52 2.48 0.00 8 D 8.10 4.41 0.00 2.92 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 9 V 7.85 3.61 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 1.13 0.00 0.00 0.96 0.00 0.00 10 F 8.79 4.15 0.00 3.11 3.29 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 11 I 8.31 3.50 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.03 1.05 0.00 0.00 12 H 8.46 4.08 0.00 3.27 3.55 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.05 3.83 0.00 1.57 1.55 0.92 0.77 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 14 L 7.73 3.67 0.00 1.06 1.42 0.77 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.09 4.06 0.00 4.01 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 16 D 8.02 4.27 0.00 2.77 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 17 T 7.98 3.84 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 18 Y 8.29 3.99 0.00 3.13 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 19 S 8.23 4.10 0.00 4.02 4.07 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 20 A 8.25 3.99 1.50 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 21 E 8.44 3.92 0.00 1.96 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 2.60 2.54 0.00 22 K 7.84 3.73 0.00 1.95 1.81 0.00 1.19 0.00 0.00 1.26 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.45 7.81 23 Q 8.18 4.19 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 24 L 8.27 3.93 0.00 1.92 1.75 0.92 0.68 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 25 T 7.84 3.75 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 0.95 0.00 0.00 26 R 7.41 3.86 0.00 2.22 1.98 0.00 3.17 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 27 A 7.80 3.94 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 28 L 8.36 3.83 0.00 1.65 1.77 0.81 0.75 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 29 A 7.48 4.01 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 30 K 7.86 4.04 0.00 1.92 1.79 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.57 7.81 31 L 8.04 3.65 0.00 1.00 0.13 0.46 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.93 4.26 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.54 4.27 0.00 1.90 1.97 0.00 3.15 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 34 A 7.73 4.34 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 35 T 7.11 4.65 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 1.38 0.00 0.00 36 S 8.61 4.38 0.00 4.02 3.97 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 37 N 8.15 4.55 0.00 2.95 2.80 0.00 0.00 6.74 7.06 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 38 E 8.76 3.95 0.00 2.12 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 2.48 0.00 39 K 8.04 3.97 0.00 1.93 1.81 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.42 7.81 40 L 9.15 3.74 0.00 1.64 1.82 0.37 0.40 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 41 S 8.47 4.30 0.00 4.03 4.07 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 42 Q 8.35 4.06 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.65 0.00 43 A 7.70 3.96 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 44 F 8.10 4.43 0.00 3.32 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 45 H 8.60 4.29 0.00 3.39 3.51 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.67 3.98 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 47 H 8.55 4.31 0.00 3.36 3.52 0.00 5.61 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.01 3.91 0.00 1.90 1.88 0.97 0.82 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 49 E 8.01 3.94 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 50 E 8.26 3.97 0.00 2.06 2.22 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 2.33 2.47 0.00 51 T 8.16 4.14 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 1.16 0.00 0.00 52 H 8.12 4.25 0.00 3.35 3.33 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.11 3.65 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 0.00 54 Q 8.17 4.09 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.55 0.00 55 I 7.79 3.81 1.98 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.22 0.75 0.00 0.00 56 E 8.05 4.31 0.00 2.19 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 2.56 2.35 0.00 57 R 8.00 3.99 0.00 1.93 2.12 0.00 3.09 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 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85 A 7.85 4.05 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 86 N 8.44 4.23 0.00 2.92 2.91 0.00 0.00 7.24 8.49 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 87 E 8.15 4.16 0.00 2.23 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 2.33 2.30 0.00 88 V 7.29 3.74 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 1.04 0.00 0.00 0.93 0.00 0.00 89 I 7.51 3.62 1.98 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.73 0.87 0.00 0.00 90 E 8.47 4.24 0.00 1.89 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 0.00 2.52 2.36 0.00 91 S 7.59 4.53 0.00 4.00 4.11 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 92 T 8.13 4.43 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 1.21 0.00 0.00 93 E 7.79 4.10 0.00 2.00 1.95 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 127 L 7.15 4.15 0.00 0.57 0.43 0.47 0.81 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 0.00 128 G 7.37 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 0.00 129 Y 7.26 4.85 0.00 2.92 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 0.00 130 R 8.18 3.89 0.00 1.90 1.97 0.00 3.19 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 131 K 8.12 3.95 0.00 1.88 1.81 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.53 7.81 132 A 8.05 4.02 1.54 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 0.00 0.00 133 A 8.21 4.04 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 0.00 134 K 7.84 3.95 0.00 1.89 1.91 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.78 1.65 7.81 135 L 8.00 4.18 0.00 1.95 1.77 1.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.54 4.23 0.00 1.80 1.96 1.25 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 137 K 8.37 4.06 0.00 2.03 1.87 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.59 7.81 138 E 7.98 3.95 0.00 2.25 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 0.00 2.32 2.63 0.00 139 T 7.67 3.67 3.69 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 -0.05 0.00 0.00 140 L 7.90 3.85 0.00 1.87 1.88 1.00 1.32 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 0.00 141 E 8.29 3.99 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.48 0.00 142 E 7.96 3.93 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 143 E 8.33 4.04 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 144 K 8.12 3.94 0.00 1.97 1.84 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.59 7.81 145 A 8.19 3.98 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 0.00 146 T 8.33 3.77 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 0.95 0.00 0.00 147 D 8.28 4.30 0.00 2.94 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 0.00 148 I 7.94 3.72 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 1.40 0.82 0.89 0.00 0.00 149 K 8.13 4.09 0.00 1.84 1.92 0.00 1.46 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.44 7.81 150 L 7.87 3.95 0.00 1.93 1.67 0.94 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 151 T 7.93 3.90 4.38 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 1.20 0.00 0.00 152 D 8.18 4.33 0.00 2.87 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 0.00 153 L 7.93 3.97 0.00 1.80 1.64 0.77 0.77 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 0.00 154 A 8.10 3.97 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 0.00 155 I 7.94 3.63 2.02 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 1.52 0.73 0.90 0.00 0.00 156 N 8.20 4.30 0.00 2.86 2.86 0.00 0.00 6.73 6.52 0.00 0.00 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 N 8.48 4.35 0.00 2.81 2.95 0.00 0.00 6.89 8.41 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 0.00 158 V 7.76 3.65 2.25 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 0.89 0.00 0.00 0.97 0.00 0.00 159 N 7.77 4.75 0.00 2.74 2.83 0.00 0.00 6.96 7.60 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 0.00 160 K 7.11 3.87 0.00 1.85 1.85 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.66 1.48 7.81 161 K 8.39 4.17 0.00 1.72 1.61 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.53 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.