NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7599 8.1633 118.3374 55.3250 33.6919 173.3918 2 I 5.0563 8.4013 118.4650 58.6694 41.2216 173.1516 3 L 5.1002 10.4907 128.6043 53.3756 45.2533 174.9529 4 V 4.8379 8.9615 125.1496 61.6300 34.4383 174.0705 5 T 5.6396 8.7379 122.1656 59.0147 71.5399 172.4815 6 G 4.1051 8.0364 111.4840 46.3945 0.0000 172.8124 7 G 4.3498 8.3804 108.2328 44.4977 0.0000 172.5329 8 A 4.0807 8.4948 122.9174 53.0807 19.0175 178.0594 9 R 3.8855 8.5101 122.2711 57.4018 27.4429 177.3255 10 S 4.3428 8.0434 112.3656 58.8509 64.3569 175.7253 11 G 4.0392 8.2898 109.6350 45.2448 0.0000 175.1211 12 K 3.9912 8.0227 121.1688 59.8070 32.4049 179.1129 13 S 4.5523 8.1912 119.6435 61.7522 62.8691 177.4847 14 R 3.9749 7.9624 122.6186 61.4654 29.1827 180.0272 15 H 4.2313 8.4457 118.2641 59.0333 29.8696 176.9562 16 A 3.8673 8.2814 123.0678 55.5618 18.1975 179.3935 17 E 4.1416 8.4528 116.5959 59.7052 29.2928 179.6385 18 A 4.0302 7.7930 119.9058 55.0236 18.4879 179.1755 19 L 3.9049 7.8200 117.0570 57.9636 41.6834 179.7231 20 I 3.8792 7.7267 118.9112 63.8628 38.0684 177.5997 21 G 3.7379 9.1199 110.0046 46.8254 0.0000 175.0941 22 D 4.6459 8.9371 123.4241 53.4283 39.4158 176.1924 23 A 3.9153 7.4757 122.2742 52.4846 18.6216 175.5169 24 P 4.3339 0.0000 0.0000 66.0757 31.4279 176.6910 25 Q 4.8935 7.9819 119.2298 52.8661 31.6633 175.9772 26 V 4.4822 8.3455 123.1587 59.7448 35.4374 173.9290 27 L 5.0498 8.0564 127.6023 53.4140 44.8187 174.3678 28 Y 4.7761 9.4810 129.2141 56.7719 40.2978 173.9638 29 I 4.8175 8.9537 129.2612 59.6600 39.4360 174.5241 30 A 5.2527 9.5044 131.0964 50.5879 20.4301 176.6904 31 T 4.7885 8.5564 112.6879 62.5846 69.7812 176.0891 32 S 4.2721 8.1831 118.4920 58.5060 63.6040 173.1650 33 Q 4.5313 8.2775 122.2451 54.2246 30.0439 176.0832 34 I 4.0300 8.4413 127.0450 61.4902 35.9888 175.9481 35 L 4.6050 7.9752 130.0779 54.5217 41.6546 175.3454 36 D 4.6067 7.4539 121.5656 55.3242 44.3710 179.3242 37 D 4.5771 8.2861 124.5496 59.2051 40.0034 180.6953 38 E 4.2009 8.0198 117.6109 61.8210 29.7098 183.0186 39 M 4.2608 7.8493 117.6464 58.1105 32.2525 177.7628 40 A 4.1222 8.6207 121.4035 55.0735 18.7880 179.4535 41 A 3.9757 8.7814 120.5170 55.1508 18.3665 179.9336 42 R 4.0813 7.9734 114.2396 59.1693 29.7282 179.0090 43 I 3.8372 7.6977 122.3754 64.4397 36.9560 178.7125 44 Q 4.0653 7.7609 123.2091 61.4855 27.9764 183.9431 *45 H 4.5613 8.1448 122.9875 60.1842 27.6430 179.8897 *46 H 4.2488 7.9047 119.3825 59.8388 27.9850 180.4405 47 K 4.1485 8.1475 121.5646 59.4866 31.7414 179.0033 48 D 4.4761 8.2519 118.1253 57.0391 40.8325 178.1223 49 G 3.7384 7.5111 104.9200 45.4776 0.0000 174.0551 50 R 3.5616 8.8584 120.7904 55.3870 30.4185 174.4236 51 P 4.4140 0.0000 0.0000 61.5912 32.3293 177.2499 52 A 4.1754 8.4627 122.6425 54.8722 18.8738 178.0001 53 H 4.9780 8.2308 110.6461 55.3360 29.1055 173.8304 54 W 5.2173 7.9302 121.1657 56.4087 31.4157 175.8599 55 R 4.7254 9.3394 125.8650 55.8526 31.0247 172.0338 56 T 5.4091 8.4770 118.3812 61.6831 71.7443 174.0482 57 A 4.4308 8.5579 124.9973 50.9372 22.7032 176.5704 58 E 5.0229 8.6389 125.5444 54.8169 27.3917 175.0059 59 C 5.0096 7.7761 122.1103 57.6518 36.3756 174.9903 60 W 5.2704 8.0556 114.5576 57.2719 29.5126 174.3503 61 R 4.4203 7.0197 117.6050 55.8416 33.3200 174.4091 62 H 5.0194 8.4484 114.1588 55.4238 26.4178 176.7098 63 L 4.1673 7.3095 120.0322 56.9204 41.9250 179.3692 64 D 4.4155 8.0430 118.9050 56.2551 38.9638 178.1352 65 T 4.0907 8.2889 116.8356 65.1895 68.6675 176.1570 66 L 4.6136 7.4582 119.1868 55.7832 43.2488 177.4454 67 I 3.9977 9.6701 122.6246 60.6580 36.0812 175.1571 68 T 4.5190 7.8835 119.2658 59.8389 69.4605 175.1777 69 A 4.4670 8.6466 127.1033 53.4231 18.7538 178.1315 70 D 4.6626 7.9196 113.4037 53.1130 40.2299 176.8677 71 L 3.9724 7.1656 119.2315 55.0592 42.4129 176.7395 72 A 4.2298 8.4030 125.3870 51.0437 19.0186 176.9495 73 P 5.0455 0.0000 0.0000 65.1458 31.4435 177.4987 74 D 4.6120 7.8636 116.3154 54.0371 40.6634 181.5994 75 D 5.0176 7.8235 117.4547 54.4966 43.0207 175.0707 76 A 5.2356 8.3707 119.9973 50.6760 23.5132 175.1398 77 I 4.8341 8.7677 119.0938 59.4319 41.7328 174.4723 78 L 4.9182 8.6630 128.3254 53.2425 44.7410 174.4964 79 L 4.9759 8.9552 129.6158 53.2707 44.3528 174.6852 80 E 4.6546 9.5492 128.0493 54.6908 32.4362 173.8075 81 C 4.8694 8.8827 121.1706 55.8134 33.7889 175.2204 82 I 3.6896 8.9539 120.5645 65.2494 36.5835 178.5481 83 T 4.1134 8.1536 115.6283 67.4627 68.1636 176.4652 84 T 3.8647 7.8608 116.7380 66.6424 68.6372 176.3835 85 M 3.9334 7.8297 120.0101 58.7226 32.3287 178.4690 86 V 3.7194 8.4196 118.6699 66.4297 31.7891 178.1769 87 T 4.0014 8.2370 115.8606 66.4009 68.2397 176.5314 88 N 3.8915 8.5276 119.3969 56.0255 38.3034 177.2251 89 L 4.1737 8.1700 120.5074 57.9986 41.7038 179.1803 90 L 3.7691 7.8727 118.6098 58.3832 41.4651 179.9241 91 F 4.3488 8.0094 115.2578 59.8463 39.1319 177.4611 92 A 4.2006 7.8431 120.7799 55.0070 18.0390 179.1148 93 L 3.8174 8.0117 116.8663 58.1581 41.7663 179.7210 94 G 2.2996 7.3458 105.3783 47.5262 0.0000 174.0610 95 G 3.9937 8.1227 111.4926 46.4014 0.0000 174.4548 96 E 4.5095 8.7814 114.6933 56.6240 29.8753 172.6903 97 N 5.3599 7.5495 116.3979 51.8007 41.9785 174.5516 98 D 4.4003 8.6615 120.4574 53.3834 42.0086 175.4372 99 P 2.0000 0.0000 0.0000 65.2273 31.6632 178.3425 100 E 4.0761 10.7133 114.3005 59.1373 29.6155 183.4609 101 Q 4.2845 7.7983 114.7786 56.0539 28.3350 176.2271 102 W 4.5800 7.6888 118.0898 57.0436 30.2695 176.4460 103 D 4.8334 7.8679 120.6208 52.1266 39.5788 175.8538 104 Y 4.1803 8.0134 121.0056 61.0873 38.1449 178.1106 105 A 4.0650 8.0880 120.6973 55.1474 18.5014 179.4017 106 A 3.8770 8.4954 119.5792 55.4766 18.4373 179.3477 107 M 3.7911 7.9518 116.2103 58.8604 32.0930 178.5832 108 E 3.5831 8.6500 119.2697 59.4732 29.4419 179.1810 109 R 3.9430 7.5662 117.1260 59.0233 30.3392 178.4627 110 A 4.1352 8.5047 121.0433 54.9499 18.3582 179.7220 111 I 3.6875 8.5669 119.4887 64.8225 37.2583 178.2519 112 D 4.4301 8.2642 119.5958 57.4689 40.5587 178.8165 113 D 4.3325 7.7791 119.4539 57.5791 40.8942 178.7373 114 E 4.0331 8.1477 118.4822 59.2694 29.4000 179.3530 115 I 3.7235 7.8847 119.9576 64.4847 37.1867 178.2056 116 Q 4.0080 8.6063 119.1648 59.1792 28.4665 179.3509 117 I 3.6786 7.7105 120.4610 64.2195 37.1958 177.9873 118 L 3.9292 7.9603 121.0494 58.4458 41.9182 178.9189 119 I 3.6796 8.0749 119.6060 64.3999 36.9781 178.1233 120 A 3.9433 8.1672 121.1317 55.1148 18.0943 179.3447 121 A 3.9129 8.1966 119.3390 55.8166 18.2972 179.5668 122 C 4.0348 8.3192 113.9157 63.2193 28.2235 176.2739 123 Q 4.1593 8.3546 119.2154 58.5704 28.1208 177.9865 124 R 4.4789 8.1212 117.0188 55.2985 29.4786 175.2675 125 C 4.7988 7.3747 121.8050 57.1662 31.8648 172.4918 126 P 4.2559 0.0000 0.0000 64.9287 31.3168 176.2267 127 A 4.6850 7.0226 121.1899 50.9221 19.7338 177.0825 128 K 4.1241 8.7668 121.4667 56.4383 33.6878 176.0327 129 V 4.7899 8.3700 126.1373 61.1330 34.8536 173.8139 130 V 4.9214 9.1592 128.0916 61.0791 34.1400 174.1546 131 L 5.2121 8.9929 127.0570 52.9126 45.5485 175.3785 132 V 4.7645 8.3576 122.7515 61.6390 33.7132 174.4961 133 T 5.0706 9.1928 121.8671 60.5667 71.6017 171.5873 134 N 5.5604 8.4067 119.7182 51.3610 41.7882 174.4939 135 E 4.3952 8.7517 122.0419 55.2894 30.2640 176.6481 136 V 4.5404 8.4742 116.5741 60.8878 33.2475 175.9367 137 G 4.1279 8.0905 107.0081 45.7359 0.0000 173.2922 138 M 4.3490 8.3513 116.9112 54.7350 32.3374 175.2666 139 G 4.3504 7.4600 106.6267 43.5227 0.0000 172.6492 140 I 3.8869 8.0584 118.7516 60.0330 38.6243 176.3746 141 V 3.5615 8.3292 125.8702 62.8458 31.6345 173.8769 142 P 4.4193 0.0000 0.0000 62.7693 31.9961 176.6740 143 E 4.0486 8.9431 120.0878 58.8738 30.0568 174.8225 144 N 4.3522 8.1071 118.6661 53.2711 40.0448 174.5151 145 R 3.8295 8.7499 128.1537 60.4228 29.8086 177.2497 146 L 3.7939 8.4699 120.1329 56.9440 41.8108 178.6430 147 A 4.3949 7.8556 119.5218 55.2715 18.6830 179.2653 148 R 3.8016 8.1513 117.2051 60.1827 30.0260 178.4674 149 H 4.0501 7.9456 115.5956 58.4899 28.5362 177.5652 150 F 4.1841 9.4017 123.6225 61.1720 39.1901 177.1185 151 R 3.5556 8.3825 118.7529 59.3047 29.8291 178.2843 152 D 4.2022 7.6337 118.6673 57.3842 40.8837 178.4889 153 I 3.5630 7.8410 120.2538 64.4566 37.0863 177.9722 154 A 3.8447 8.0268 122.2059 55.2926 18.0818 179.7413 155 G 3.5809 7.8302 103.8390 48.1793 0.0000 176.0490 156 R 3.9155 7.9092 120.4027 58.8936 29.9929 179.2715 157 V 3.5743 7.8726 118.0791 65.9683 31.4960 177.7160 158 N 4.2964 8.3547 116.4077 56.4668 38.4300 177.1878 159 Q 3.9682 8.0939 119.1825 59.0966 28.8707 179.1952 160 R 3.8902 7.8597 118.7342 59.3587 30.1933 179.0185 161 L 3.9486 8.1825 118.5259 57.8126 41.4398 179.4420 162 A 3.9690 8.2454 119.3442 55.0698 18.3885 179.0786 163 A 4.0666 8.2637 117.9890 55.4816 18.5674 179.4164 164 A 4.0111 8.3289 117.7281 54.2368 18.8880 178.2674 165 A 4.0507 7.6872 119.0331 53.2448 18.8891 177.2684 166 D 4.6737 8.5155 120.2039 56.2032 41.7419 176.6829 167 E 4.7072 7.8918 118.4559 54.8206 33.3371 173.8464 168 V 5.0038 8.2860 125.2395 61.0270 35.3897 174.0173 169 W 5.3779 9.0799 125.6164 54.9700 33.2426 173.5452 170 L 5.0723 10.0100 127.1183 53.3891 43.8011 174.9580 171 V 4.8437 8.5457 126.3008 61.1310 33.5744 174.8519 172 V 4.3384 8.8460 127.8232 62.2879 33.6842 175.4792 173 S 3.7808 9.8514 123.3154 59.7428 60.3527 173.3997 174 G 3.8608 8.5481 106.1974 45.5786 0.0000 173.8680 175 I 4.3313 8.1970 122.3497 59.1829 38.8095 175.4422 176 G 3.9505 8.7554 115.6070 46.1412 0.0000 172.4701 177 V 4.4874 10.0943 125.2284 60.7548 34.3944 174.5071 178 K 3.7781 8.5215 130.8169 55.8631 31.6494 176.1786 179 I 4.1632 7.8316 121.2621 61.0977 38.9827 175.9492 180 K 3.9804 7.3396 128.4276 56.7386 32.1286 175.1200 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 1 M 8.16 4.76 0.00 2.16 2.43 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.66 0.00 2 I 8.40 5.06 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.00 1.16 0.00 0.00 3 L 10.49 5.10 0.00 1.80 1.55 1.01 0.73 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 4 V 8.96 4.84 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 1.01 0.00 0.00 1.00 0.00 0.00 5 T 8.74 5.64 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 1.34 0.00 0.00 6 G 8.04 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 0.00 0.00 0.00 7 G 8.38 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 8 A 8.49 4.08 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 9 R 8.51 3.89 0.00 1.99 2.04 0.00 3.37 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 10 S 8.04 4.34 0.00 4.19 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 0.00 11 G 8.29 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 12 K 8.02 3.99 0.00 2.04 2.13 0.00 1.61 0.00 0.00 1.96 0.00 0.00 3.04 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.53 1.58 7.81 13 S 8.19 4.55 0.00 3.94 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 0.00 14 R 7.96 3.97 0.00 1.81 1.94 0.00 3.25 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.25 0.00 15 H 8.45 4.23 0.00 3.18 3.33 0.00 5.77 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 16 A 8.28 3.87 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 E 8.45 4.14 0.00 2.26 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 0.00 2.66 2.74 0.00 18 A 7.79 4.03 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.82 3.90 0.00 1.61 1.66 0.26 0.25 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 20 I 7.73 3.88 2.12 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 1.38 0.44 0.88 0.00 0.00 21 G 9.12 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.94 4.65 0.00 2.82 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 23 A 7.48 3.92 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.33 0.00 2.20 2.25 0.00 3.87 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 2.01 2.01 0.00 25 Q 7.98 4.89 0.00 1.72 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.88 0.00 0.00 0.00 0.00 0.00 2.24 1.88 0.00 26 V 8.35 4.48 0.67 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 -0.70 0.00 0.00 0.46 0.00 0.00 27 L 8.06 5.05 0.00 1.75 1.40 1.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 9.48 4.78 0.00 3.28 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 29 I 8.95 4.82 1.77 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 1.14 0.79 0.96 0.00 0.00 30 A 9.50 5.25 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 31 T 8.56 4.79 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 1.33 0.00 0.00 32 S 8.18 4.27 0.00 3.91 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.28 4.53 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.22 0.00 0.00 0.00 0.00 0.00 2.40 2.26 0.00 34 I 8.44 4.03 1.88 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 1.29 0.50 0.93 0.00 0.00 35 L 7.98 4.61 0.00 1.66 1.53 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.45 4.61 0.00 2.62 2.49 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 37 D 8.29 4.58 0.00 2.68 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 38 E 8.02 4.20 0.00 1.97 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 2.31 1.93 0.00 39 M 7.85 4.26 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 40 A 8.62 4.12 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 41 A 8.78 3.98 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 42 R 7.97 4.08 0.00 2.09 2.29 0.00 2.79 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 43 I 7.70 3.84 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 1.43 0.63 0.93 0.00 0.00 44 Q 7.76 4.07 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 *45 H 8.14 4.56 0.00 2.90 3.11 0.00 7.18 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *46 H 7.90 4.25 0.00 3.00 3.01 0.00 7.18 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.15 4.15 0.00 1.73 1.83 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.65 7.81 48 D 8.25 4.48 0.00 2.54 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 49 G 7.51 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.86 3.56 0.00 1.67 1.74 0.00 3.18 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 51 P 0.00 4.41 0.00 1.79 1.77 0.00 2.48 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.53 0.00 52 A 8.46 4.18 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 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4.42 0.00 1.09 1.10 0.00 3.05 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.62 0.00 62 H 8.45 5.02 0.00 3.28 3.40 0.00 5.93 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.31 4.17 0.00 1.90 1.72 0.96 0.97 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 64 D 8.04 4.42 0.00 2.90 2.94 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 65 T 8.29 4.09 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 1.19 0.00 0.00 66 L 7.46 4.61 0.00 1.68 1.69 0.92 0.83 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 67 I 9.67 4.00 1.86 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 1.16 0.52 0.90 0.00 0.00 68 T 7.88 4.52 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 1.33 0.00 0.00 69 A 8.65 4.47 1.31 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.04 0.75 0.83 0.00 0.00 78 L 8.66 4.92 0.00 1.52 1.39 1.28 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.96 4.98 0.00 1.63 1.44 0.92 0.64 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 80 E 9.55 4.65 0.00 1.63 1.70 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 2.26 2.25 0.00 81 C 8.88 4.87 0.00 3.21 2.99 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 82 I 8.95 3.69 1.90 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 1.68 0.82 0.94 0.00 0.00 83 T 8.15 4.11 4.36 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 1.58 0.00 0.00 84 T 7.86 3.86 4.43 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 1.14 0.00 0.00 85 M 7.83 3.93 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.73 0.00 86 V 8.42 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 7.87 4.83 0.00 2.66 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 0.00 104 Y 8.01 4.18 0.00 3.22 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 0.00 105 A 8.09 4.07 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 0.00 106 A 8.50 3.88 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 0.00 107 M 7.95 3.79 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.21 0.00 108 E 8.65 3.58 0.00 2.12 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 0.00 2.33 2.38 0.00 109 R 7.57 3.94 0.00 2.06 1.97 0.00 3.22 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 110 A 8.50 4.14 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 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0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.54 0.93 0.00 0.00 120 A 8.17 3.94 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 0.00 121 A 8.20 3.91 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 0.00 122 C 8.32 4.03 0.00 3.03 3.02 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 0.00 123 Q 8.35 4.16 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 124 R 8.12 4.48 0.00 1.84 1.94 0.00 3.10 0.00 0.00 3.09 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.96 0.00 125 C 7.37 4.80 0.00 2.99 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 0.00 126 P 0.00 4.26 0.00 2.43 2.29 0.00 3.55 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.07 0.00 127 A 7.02 4.68 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 0.00 128 K 8.77 4.12 0.00 1.84 1.66 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.39 7.81 129 V 8.37 4.79 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 0.90 0.00 0.00 0.95 0.00 0.00 130 V 9.16 4.92 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 0.86 0.00 0.00 0.91 0.00 0.00 131 L 8.99 5.21 0.00 1.60 1.50 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 132 V 8.36 4.76 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 1.10 0.00 0.00 1.03 0.00 0.00 133 T 9.19 5.07 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 1.31 0.00 0.00 134 N 8.41 5.56 0.00 2.67 2.73 0.00 0.00 7.00 7.33 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 0.00 135 E 8.75 4.40 0.00 1.87 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 136 V 8.47 4.54 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 0.90 0.00 0.00 0.93 0.00 0.00 137 G 8.09 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 M 8.35 4.35 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 139 G 7.46 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 0.00 140 I 8.06 3.89 1.87 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 1.30 0.73 0.91 0.00 0.00 141 V 8.33 3.56 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 0.83 0.00 0.00 0.91 0.00 0.00 142 P 0.00 4.42 0.00 2.14 1.98 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 143 E 8.94 4.05 0.00 1.98 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 2.23 1.87 0.00 144 N 8.11 4.35 0.00 2.77 2.73 0.00 0.00 6.68 7.65 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 0.00 145 R 8.75 3.83 0.00 1.89 1.90 0.00 3.27 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 146 L 8.47 3.79 0.00 1.69 1.71 0.68 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 147 A 7.86 4.39 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 0.00 148 R 8.15 3.80 0.00 2.06 2.14 0.00 3.01 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 149 H 7.95 4.05 0.00 2.91 3.06 0.00 5.87 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 0.00 150 F 9.40 4.18 0.00 3.01 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 0.00 151 R 8.38 3.56 0.00 1.97 2.23 0.00 3.14 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 1.57 1.62 0.00 152 D 7.63 4.20 0.00 2.83 2.63 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 0.00 153 I 7.84 3.56 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.68 0.88 0.00 0.00 154 A 8.03 3.84 0.77 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 0.00 0.00 155 G 7.83 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 0.00 156 R 7.91 3.92 0.00 1.96 1.97 0.00 3.12 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 157 V 7.87 3.57 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 1.13 0.00 0.00 0.96 0.00 0.00 158 N 8.35 4.30 0.00 2.95 2.85 0.00 0.00 7.04 8.57 0.00 0.00 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 Q 8.09 3.97 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 160 R 7.86 3.89 0.00 2.09 1.98 0.00 3.39 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 161 L 8.18 3.95 0.00 1.83 1.74 0.94 1.00 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 0.00 162 A 8.25 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 0.00 163 A 8.26 4.07 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 0.00 164 A 8.33 4.01 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 A 7.69 4.05 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 0.00 166 D 8.52 4.67 0.00 2.81 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 0.00 167 E 7.89 4.71 0.00 2.07 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 2.27 2.31 0.00 168 V 8.29 5.00 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 0.99 0.00 0.00 0.93 0.00 0.00 169 W 9.08 5.38 0.00 3.36 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 L 10.01 5.07 0.00 1.79 1.54 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 171 V 8.55 4.84 2.11 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 0.86 0.00 0.00 0.87 0.00 0.00 172 V 8.85 4.34 2.11 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 0.97 0.00 0.00 0.95 0.00 0.00 173 S 9.85 3.78 0.00 4.03 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 G 8.55 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 0.00 0.00 0.00 175 I 8.20 4.33 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.78 0.96 0.00 0.00 176 G 8.76 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 0.00 177 V 10.09 4.49 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.02 0.00 0.00 178 K 8.52 3.78 0.00 0.79 1.18 0.00 1.38 0.00 0.00 1.43 0.00 0.00 2.51 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.86 0.21 7.81 179 I 7.83 4.16 1.80 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 1.06 0.68 0.91 0.00 0.00 180 K 7.34 3.98 0.00 1.60 1.55 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.25 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.