NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Y 4.8053 8.0027 118.3525 58.1277 40.1473 176.8469 4 N 4.2868 8.4420 117.4277 54.2901 39.0202 173.5726 5 T 4.4660 8.5148 106.7211 61.0930 70.3321 173.8114 6 I 3.9037 7.2042 123.1510 60.2898 37.5657 174.3296 7 P 4.4699 0.0000 0.0000 62.2165 32.2414 177.2196 8 A 4.1491 8.2977 122.1018 53.6320 18.6052 178.0793 9 G 4.1594 6.7868 101.0667 45.2046 0.0000 173.3788 10 K 4.0865 8.0650 120.0927 59.3083 32.4374 177.5674 11 D 4.5798 7.7358 116.9359 53.0899 42.6910 174.1675 12 L 4.3337 8.0123 123.7145 53.8370 42.4101 175.5978 13 P 4.5632 0.0000 0.0000 63.1862 31.9259 175.8771 14 N 4.4737 7.9066 116.6601 54.3183 39.6066 173.7282 15 D 4.9087 8.1012 117.4682 52.6671 43.4083 174.1196 16 I 4.7964 8.5675 118.8468 58.9740 41.5640 173.6860 17 Y 5.2106 8.5651 120.4754 56.2238 40.0411 175.6101 18 V 4.3602 8.7642 124.1675 60.9416 34.2400 174.1331 19 A 4.5840 8.1950 130.6539 51.0994 19.8736 176.1200 20 I 4.3191 8.6743 124.8723 61.2979 38.1400 176.5774 21 E 4.3122 9.2867 126.3417 57.4181 31.4697 176.6839 22 I 4.6820 7.4319 119.7605 58.6979 40.5727 173.8348 23 P 4.9208 0.0000 0.0000 61.9524 32.1438 176.2827 24 A 4.2459 8.8403 124.1251 52.8559 19.1729 177.0499 25 N 3.5829 8.8401 115.6897 54.2401 36.6913 174.5032 26 A 4.6741 7.8698 119.4007 50.1155 21.4926 177.5795 27 S 4.4122 8.3588 115.4052 58.2400 63.7197 173.5173 28 P 4.6962 0.0000 0.0000 62.7372 30.3375 176.9772 29 I 3.9550 7.4026 118.4636 60.5776 38.9015 177.7337 30 K 4.2757 8.7241 130.7798 55.2772 31.5914 175.3046 31 Y 4.9620 7.9802 123.3646 57.5675 39.1493 174.7322 32 E 4.9453 9.1251 119.2792 54.8096 33.5223 174.3615 33 I 3.7665 9.1346 124.6232 61.5763 37.4535 174.3308 34 D 4.1650 9.4695 129.8531 56.0302 41.5326 175.5274 *38 D 5.2159 7.8284 120.1855 53.8443 42.2194 175.0081 39 A 4.9420 8.1644 117.5932 50.1681 23.6507 176.6020 40 L 4.5104 8.6828 122.5745 54.4814 42.4154 176.1165 41 L 4.6666 8.8320 127.3014 53.4607 44.2974 176.4332 42 V 4.0272 8.2015 121.6906 62.2229 31.2640 175.1530 43 D 4.6166 8.9668 129.9509 57.0602 41.7846 176.2795 44 R 4.4478 7.3298 111.9112 54.8604 32.2942 174.7749 45 F 4.7542 8.5772 124.1405 57.5932 37.8146 177.7026 *47 A 4.3885 8.5757 128.2163 53.0172 20.2050 177.2058 48 T 4.2197 7.6166 104.6536 60.2841 69.9252 173.4142 49 P 4.4191 0.0000 0.0000 61.6675 30.3747 175.2682 *51 F 4.7017 8.0242 119.1258 56.6896 39.2174 174.7566 52 Y 2.7584 8.4011 119.6245 56.9047 38.0403 175.5227 53 P 4.4836 0.0000 0.0000 64.7870 31.7929 175.7741 54 A 4.8864 7.5527 117.6299 49.7737 22.6805 175.5623 55 N 4.7126 8.6102 116.7360 53.9464 40.1322 173.7921 56 Y 4.9876 8.9540 123.3220 55.9963 41.8011 173.9052 57 G 4.3378 8.5960 114.3695 47.0892 0.0000 171.2363 58 Y 5.2245 7.6521 119.8119 56.0215 41.9586 174.0376 59 I 4.5856 8.1633 121.3616 59.6379 38.1507 176.0411 60 N 4.6114 8.7171 125.4308 54.3521 39.6043 173.5910 61 N 3.1400 8.2957 116.5352 54.0699 36.3876 174.1929 62 T 4.9394 7.2678 105.4025 59.8395 73.1011 172.6154 63 L 4.9654 9.0117 124.2631 53.3047 45.0571 175.7728 64 A 4.3114 9.1404 129.1566 51.4949 19.5267 177.9469 65 D 4.4266 8.9352 119.0684 56.3001 40.9507 177.1940 66 D 4.6787 8.0992 117.4906 52.8304 39.8486 176.9854 67 G 3.9645 8.6509 109.5989 45.2786 0.0000 172.9495 68 D 4.8888 8.0597 118.2650 51.5922 43.8707 175.2403 69 A 4.9543 8.0196 121.9847 51.4976 19.0673 177.0642 70 L 4.1071 8.5880 122.7748 55.5277 43.2634 176.0506 71 D 5.1050 8.7129 125.9891 53.9908 42.6743 175.5154 72 V 4.8271 8.4685 121.9452 61.3749 35.5334 173.5277 73 L 5.1788 9.1594 127.9374 53.4483 43.8442 175.5702 74 V 4.7202 8.7286 123.4500 60.9934 34.1957 174.5020 75 I 4.2325 8.3312 129.9655 61.2514 37.4948 175.7392 76 T 4.8161 8.2533 115.7091 59.1340 71.8299 172.2662 77 P 4.2648 0.0000 0.0000 64.8870 31.7966 176.1739 78 Y 4.7531 7.2133 115.5480 55.2722 41.7838 173.2465 79 P 4.4838 0.0000 0.0000 63.0958 31.9901 176.4970 80 V 4.2389 8.2932 114.8933 59.4379 33.7508 175.6400 81 A 4.2010 8.1242 123.7711 51.1929 18.9064 175.6105 82 P 4.3554 0.0000 0.0000 64.1640 31.7555 177.3023 83 G 3.9963 9.3706 111.7257 45.0542 0.0000 173.6188 84 S 4.6000 7.7816 114.9037 57.6483 65.2511 173.1394 85 V 4.7989 8.1657 119.9044 61.0488 33.7287 174.3151 86 I 4.6124 8.7311 127.8695 58.9336 41.1557 174.1521 87 R 4.5663 8.7900 129.8741 56.4162 31.2444 174.9409 88 A 5.3451 9.1924 127.5705 50.5077 23.8676 174.4532 89 R 5.0232 9.0523 115.1533 53.7887 32.8028 173.2505 90 P 4.9200 0.0000 0.0000 63.1356 31.9464 176.3190 91 V 4.3656 8.9552 113.6464 60.4176 33.8880 175.2177 92 G 4.2281 7.5991 107.3729 46.3268 0.0000 172.1959 93 V 5.1444 8.5359 118.6448 60.1200 35.2742 173.6484 94 L 4.3625 8.9183 126.6384 53.4211 43.2678 175.6804 95 K 4.4213 8.5080 126.3024 55.7222 34.2002 176.2966 *97 S 4.6893 8.3900 117.5615 58.9718 64.9906 173.2097 98 D 3.7057 8.6855 120.1525 50.6789 41.8420 175.4876 99 E 3.5299 7.3092 115.4377 58.5326 29.2833 177.0873 100 A 4.4554 8.0048 121.1956 51.2151 20.3855 175.1196 101 G 3.8333 7.6651 102.1089 43.9139 0.0000 174.2339 102 G 3.9335 8.4115 108.7534 46.1416 0.0000 171.7886 103 D 4.7679 8.0085 118.3702 53.3772 44.2996 174.0685 104 E 4.8338 8.4589 118.7787 54.7993 32.9071 174.6233 105 K 4.4679 8.6415 121.9093 54.4417 34.6720 175.9565 106 L 4.6725 8.7699 125.7673 54.5758 43.3580 175.9640 107 L 5.3615 9.1574 122.8648 53.4917 45.0986 175.1588 108 A 5.0835 9.0494 126.1243 50.5773 23.3926 174.9920 109 V 4.3923 8.1969 111.5779 58.3690 35.4517 173.9454 110 P 4.7262 0.0000 0.0000 62.7012 32.0186 176.0433 111 H 4.1622 9.1088 123.6883 56.3438 30.1701 175.8433 112 E 4.1474 8.7762 121.7825 59.5815 29.2752 179.5488 113 K 4.0889 8.3254 117.3837 58.7620 32.3059 177.7854 114 L 4.3158 8.0417 118.3448 56.7324 42.1355 176.8495 115 T 4.2518 7.1683 108.3524 61.6970 70.5885 172.7554 116 Q 4.5064 8.2702 125.0956 56.3284 29.2372 177.8102 117 L 3.7456 7.7665 118.8387 56.9696 41.8419 177.5061 118 Y 4.7146 7.4616 115.1040 57.6186 38.5346 177.2746 119 N 4.3708 7.8469 120.3527 55.9128 38.6323 175.7518 120 D 4.7025 7.9878 115.5486 53.8802 41.1256 176.3496 121 I 4.2578 7.4279 121.5987 60.2444 36.7422 174.7253 122 H 4.7931 9.1890 122.1621 55.6048 30.8735 173.6172 123 D 4.7872 7.7268 117.3194 52.4802 44.5261 175.2772 124 I 3.5623 8.2500 120.3070 63.8400 38.0632 177.5126 125 D 4.3637 7.9467 119.1368 57.1061 40.7642 177.1449 126 D 4.4512 7.8358 117.7606 55.9489 41.1563 176.9809 127 V 3.7329 7.1502 119.2789 61.3859 32.3773 174.4488 128 P 4.2248 0.0000 0.0000 63.1337 32.5730 177.1919 129 Q 3.9101 8.6806 122.8810 59.2834 29.0214 178.3489 130 L 3.9539 7.8786 120.8434 57.9644 42.0997 178.4937 131 L 4.3772 7.7744 121.1612 57.5821 42.0246 178.8221 132 K 4.1052 7.9061 118.1000 59.8684 31.9245 179.0337 133 D 4.5333 8.5146 119.1864 57.5067 40.5464 178.9918 134 Q 4.0441 8.5146 119.0406 58.8831 28.6921 178.6222 135 I 3.8350 8.2262 121.0882 64.3492 37.1283 178.4638 136 V 3.6191 8.3705 119.3475 66.4463 31.2543 177.4421 137 H 4.0984 8.5656 118.0037 59.1743 29.5929 176.7762 138 F 3.7941 8.5371 122.7007 61.4751 38.9693 177.2745 139 F 3.7485 8.0118 115.6821 60.2643 38.6981 177.3225 140 E 4.1028 8.4056 117.9968 58.6958 29.3984 177.3400 141 H 5.1910 7.8434 113.5183 54.5576 31.0652 175.3778 142 Y 3.6383 7.9319 117.3696 59.0495 37.7829 177.1201 143 K 4.0830 7.3722 118.3291 55.9415 32.0479 177.7531 144 D 4.3436 8.1728 122.7583 56.7886 40.7507 177.9081 145 L 4.6245 7.6216 115.3972 54.4004 42.5318 176.6071 146 E 4.1826 7.5515 120.0465 55.5055 31.8905 175.5983 *148 G 4.0305 8.2176 103.5932 45.7475 0.0000 172.5204 149 K 4.6253 8.1904 117.6731 54.7614 36.8911 176.1523 150 W 5.3217 8.3563 119.0432 55.0821 32.4083 174.1858 151 V 4.6497 8.5223 119.4107 61.6162 33.9847 173.2039 152 K 4.6054 9.4553 130.2716 54.7564 33.6745 175.2451 153 V 4.0447 8.3819 127.8602 62.1752 32.0385 175.3189 154 E 4.1202 9.6850 128.6023 58.0781 30.0444 176.8991 155 G 4.2647 7.2117 105.3338 43.4495 0.0000 171.4579 156 W 4.8130 8.0467 120.1050 56.2493 29.9353 175.7839 157 E 4.8422 9.4026 120.9237 54.0507 32.6484 175.3383 158 N 5.1861 8.2997 117.5787 52.0743 40.6077 175.3490 159 A 3.9914 9.2394 121.5297 55.5601 18.2386 179.5780 160 D 4.3125 8.2027 116.7791 57.5442 40.9676 178.7538 161 A 4.0284 8.6807 121.2276 54.9018 18.3644 179.5083 162 A 3.9618 8.2641 119.4561 55.4778 18.4241 180.0283 163 R 3.8584 8.4142 116.7379 59.3896 30.0605 179.0264 164 A 3.9733 8.4778 120.7097 55.2277 18.3354 179.5588 165 A 3.9355 8.0458 119.1317 55.2535 18.4211 180.0088 166 I 3.6390 7.8232 118.3077 64.4239 37.2250 178.5970 167 V 3.5722 7.9980 119.3930 66.0015 31.3183 177.7792 168 K 3.8945 8.2100 119.2426 59.9391 32.0190 178.9195 169 S 4.5308 8.5338 116.2786 60.7075 62.1891 176.5875 170 A 4.2114 8.3045 123.6317 55.0170 17.9363 179.4270 171 A 4.0050 8.0130 118.1699 55.4066 18.5393 179.5399 172 A 4.1652 7.9128 118.1062 53.8110 18.7570 177.4870 173 Y 4.1298 7.5560 119.1540 57.8541 39.0740 176.0323 174 K 4.4567 7.9058 124.8276 55.7993 33.5890 176.3438 175 G 3.6236 5.7797 112.6977 45.0167 0.0000 173.7396 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 3 Y 8.00 4.81 0.00 3.08 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 4 N 8.44 4.29 0.00 2.82 2.90 0.00 0.00 6.87 6.82 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 5 T 8.51 4.47 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 1.21 0.00 0.00 6 I 7.20 3.90 1.85 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.50 0.75 0.00 0.00 7 P 0.00 4.47 0.00 2.40 2.24 0.00 3.44 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.98 0.00 8 A 8.30 4.15 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 9 G 6.79 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.06 4.09 0.00 1.71 1.81 0.00 1.81 0.00 0.00 1.50 0.00 0.00 2.81 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.10 7.81 11 D 7.74 4.58 0.00 2.62 2.45 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 0.00 12 L 8.01 4.33 0.00 1.67 1.58 0.92 1.07 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 13 P 0.00 4.56 0.00 2.16 2.15 0.00 3.74 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 14 N 7.91 4.47 0.00 2.67 2.85 0.00 0.00 6.75 8.47 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 15 D 8.10 4.91 0.00 2.69 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 16 I 8.57 4.80 1.81 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 1.32 1.04 0.88 0.00 0.00 17 Y 8.57 5.21 0.00 2.94 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.76 4.36 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.86 0.00 0.00 19 A 8.19 4.58 0.73 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 0.00 0.00 20 I 8.67 4.32 1.91 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 1.16 1.03 0.95 0.00 0.00 21 E 9.29 4.31 0.00 2.03 2.29 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 2.33 2.38 0.00 22 I 7.43 4.68 1.41 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.71 0.77 0.00 0.00 23 P 0.00 4.92 0.00 1.98 2.21 0.00 3.78 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.24 0.00 24 A 8.84 4.25 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 25 N 8.84 3.58 0.00 2.78 2.64 0.00 0.00 6.82 6.95 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 26 A 7.87 4.67 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 27 S 8.36 4.41 0.00 3.97 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 28 P 0.00 4.70 0.00 2.30 2.24 0.00 3.85 0.00 0.00 3.76 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 29 I 7.40 3.96 1.47 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.69 -0.23 0.00 0.00 30 K 8.72 4.28 0.00 1.84 1.75 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.56 7.81 31 Y 7.98 4.96 0.00 3.13 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 32 E 9.13 4.95 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 33 I 9.13 3.77 1.86 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.30 0.35 0.00 0.00 34 D 9.47 4.16 0.00 2.70 2.47 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 *38 D 7.83 5.22 0.00 2.82 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 39 A 8.16 4.94 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 40 L 8.68 4.51 0.00 1.62 1.59 0.71 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.83 4.67 0.00 1.87 1.58 0.97 1.00 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 42 V 8.20 4.03 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 -0.03 0.00 0.00 0.89 0.00 0.00 43 D 8.97 4.62 0.00 2.69 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.33 4.45 0.00 1.86 1.91 0.00 3.19 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 45 F 8.58 4.75 0.00 3.07 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 *47 A 8.58 4.39 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 48 T 7.62 4.22 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 1.19 0.00 0.00 49 P 0.00 4.42 0.00 2.24 2.17 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 *51 F 8.02 4.70 0.00 3.22 3.25 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 0.00 52 Y 8.40 2.76 0.00 2.97 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 53 P 0.00 4.48 0.00 2.07 2.16 0.00 3.21 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.86 0.00 54 A 7.55 4.89 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 55 N 8.61 4.71 0.00 2.70 2.76 0.00 0.00 6.77 7.52 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 56 Y 8.95 4.99 0.00 2.79 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 57 G 8.60 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 0.00 0.00 0.00 0.00 58 Y 7.65 5.22 0.00 3.04 2.92 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 59 I 8.16 4.59 1.87 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 0.56 0.93 0.00 0.00 60 N 8.72 4.61 0.00 2.85 2.82 0.00 0.00 7.20 6.71 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 61 N 8.30 3.14 0.00 2.66 2.42 0.00 0.00 6.72 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.27 4.94 4.26 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 1.24 0.00 0.00 63 L 9.01 4.97 0.00 1.89 1.64 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 64 A 9.14 4.31 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 65 D 8.94 4.43 0.00 2.67 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 66 D 8.10 4.68 0.00 2.72 2.87 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 67 G 8.65 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.06 4.89 0.00 2.68 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.02 4.95 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 70 L 8.59 4.11 0.00 1.79 1.57 0.92 1.44 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 71 D 8.71 5.11 0.00 2.82 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.47 4.83 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 1.01 0.00 0.00 0.93 0.00 0.00 73 L 9.16 5.18 0.00 1.85 1.71 1.28 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.73 4.72 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 0.90 0.00 0.00 0.88 0.00 0.00 75 I 8.33 4.23 1.48 0.00 0.00 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 1.26 0.57 0.89 0.00 0.00 76 T 8.25 4.82 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 1.21 0.00 0.00 77 P 0.00 4.26 0.00 1.73 2.10 0.00 3.86 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 78 Y 7.21 4.75 0.00 3.09 2.87 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 79 P 0.00 4.48 0.00 2.09 2.19 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 80 V 8.29 4.24 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 0.80 0.00 0.00 0.99 0.00 0.00 81 A 8.12 4.20 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.36 0.00 1.65 1.95 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.04 0.00 83 G 9.37 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 7.78 4.60 0.00 3.93 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 85 V 8.17 4.80 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 0.68 0.00 0.00 0.86 0.00 0.00 86 I 8.73 4.61 1.88 0.00 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 1.13 1.62 0.94 0.00 0.00 87 R 8.79 4.57 0.00 2.09 1.82 0.00 3.10 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 88 A 9.19 5.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 9.05 5.02 0.00 1.83 2.00 0.00 2.76 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 90 P 0.00 4.92 0.00 2.10 2.08 0.00 3.93 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 7.67 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 0.00 0.00 0.00 102 G 8.41 3.93 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 0.00 0.00 0.00 103 D 8.01 4.77 0.00 2.58 2.42 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 0.00 104 E 8.46 4.83 0.00 1.89 1.79 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 2.14 2.31 0.00 105 K 8.64 4.47 0.00 1.32 1.62 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.57 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.72 0.21 7.81 106 L 8.77 4.67 0.00 1.79 1.61 0.92 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 107 L 9.16 5.36 0.00 2.01 1.58 1.02 0.76 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 0.00 108 A 9.05 5.08 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.20 4.39 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.84 0.00 0.00 110 P 0.00 4.73 0.00 2.03 2.02 0.00 3.16 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 111 H 9.11 4.16 0.00 3.23 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.78 4.15 0.00 2.17 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 2.06 2.33 0.00 113 K 8.33 4.09 0.00 1.85 1.96 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.55 1.43 7.81 114 L 8.04 4.32 0.00 1.84 1.79 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 115 T 7.17 4.25 4.33 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 1.44 0.00 0.00 116 Q 8.27 4.51 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 117 L 7.77 3.75 0.00 0.95 0.65 0.78 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 7.46 4.71 0.00 2.97 2.86 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 0.00 119 N 7.85 4.37 0.00 2.64 2.89 0.00 0.00 6.78 7.92 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 0.00 120 D 7.99 4.70 0.00 2.63 2.67 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 0.00 0.00 0.00 121 I 7.43 4.26 1.92 0.00 0.00 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 1.45 0.61 0.87 0.00 0.00 122 H 9.19 4.79 0.00 3.07 3.30 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.73 4.79 0.00 2.62 2.45 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 0.00 124 I 8.25 3.56 1.90 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.58 0.89 0.00 0.00 125 D 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 Q 8.51 4.04 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 135 I 8.23 3.84 2.49 0.00 0.00 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 1.58 0.92 1.34 0.00 0.00 136 V 8.37 3.62 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 1.11 0.00 0.00 0.99 0.00 0.00 137 H 8.57 4.10 0.00 3.39 3.47 0.00 5.65 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 0.00 138 F 8.54 3.79 0.00 2.88 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 0.00 139 F 8.01 3.75 0.00 3.04 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 0.00 140 E 8.41 4.10 0.00 1.88 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 0.00 2.31 2.54 0.00 141 H 7.84 5.19 0.00 2.98 3.19 0.00 5.63 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 Y 7.93 3.64 0.00 2.12 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 0.00 143 K 7.37 4.08 0.00 1.46 1.54 0.00 1.33 0.00 0.00 1.38 0.00 0.00 2.50 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.54 0.21 7.81 144 D 8.17 4.34 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 0.00 145 L 7.62 4.62 0.00 1.57 1.64 0.96 0.88 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 0.00 146 E 7.55 4.18 0.00 1.87 1.83 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 2.16 2.19 0.00 *148 G 8.22 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.19 4.63 0.00 1.52 1.53 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.30 7.81 150 W 8.36 5.32 0.00 3.37 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 0.00 151 V 8.52 4.65 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 0.93 0.00 0.00 0.92 0.00 0.00 152 K 9.46 4.61 0.00 1.92 1.91 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.71 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.39 7.81 153 V 8.38 4.04 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 0.70 0.00 0.00 0.97 0.00 0.00 154 E 9.68 4.12 0.00 2.03 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 2.31 2.23 0.00 155 G 7.21 4.26 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 0.00 156 W 8.05 4.81 0.00 3.33 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 0.00 157 E 9.40 4.84 0.00 1.96 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 2.25 2.37 0.00 158 N 8.30 5.19 0.00 3.24 3.01 0.00 0.00 5.81 7.07 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 0.00 159 A 9.24 3.99 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 0.00 160 D 8.20 4.31 0.00 2.89 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 A 8.68 4.03 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 0.00 162 A 8.26 3.96 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 0.00 163 R 8.41 3.86 0.00 2.05 1.99 0.00 3.14 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 164 A 8.48 3.97 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 0.00 165 A 8.05 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 0.00 166 I 7.82 3.64 2.04 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 0.76 0.90 0.00 0.00 167 V 8.00 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 1.00 0.00 0.00 1.00 0.00 0.00 168 K 8.21 3.89 0.00 1.91 1.94 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.50 7.81 169 S 8.53 4.53 0.00 3.97 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 0.00 170 A 8.30 4.21 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 0.00 171 A 8.01 4.01 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 0.00 172 A 7.91 4.17 1.45 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 0.00 0.00 0.00 173 Y 7.56 4.13 0.00 3.11 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.91 4.46 0.00 1.56 1.65 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.27 7.81 175 G 5.78 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 * Residues marked with a * may have inaccurate shift predictions.