NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 A 4.1643 8.2649 122.4436 51.4105 21.0664 177.0255 18 Y 4.3330 8.1844 112.2349 55.2686 42.1930 173.1985 19 S 4.9100 8.8799 118.3731 56.6762 65.6544 172.5587 20 F 5.2850 9.2474 125.9190 55.5968 42.9104 173.9296 21 K 5.0949 8.8396 123.3382 54.9448 34.2374 174.8932 22 V 5.0884 9.2431 127.6724 61.0193 34.8725 174.2763 23 V 5.0067 8.5185 126.8481 59.9715 34.1074 174.3073 24 L 5.0491 8.7381 124.3701 53.4605 42.9999 176.0104 25 L 4.4827 9.8090 122.9355 52.1585 45.8423 176.0390 26 G 4.5843 8.3325 109.9464 43.9298 0.0000 172.0770 27 E 4.3333 8.2730 120.2502 55.7483 30.0676 178.7328 28 G 3.7131 8.6815 108.9570 48.2248 0.0000 174.2475 29 C 4.4205 7.8983 112.4250 58.5619 30.5684 175.0834 30 V 3.7666 7.4575 114.6147 63.4375 31.5133 176.9442 31 G 4.3221 8.4708 108.6250 45.7122 0.0000 175.9360 32 K 3.9259 8.6247 119.9342 59.7421 32.1096 178.8559 33 T 4.1327 7.8111 116.4822 66.3074 68.4615 176.6968 34 S 4.2871 8.1712 116.5512 61.5827 62.8591 176.6764 35 L 4.0916 8.2206 121.6906 57.8167 41.3603 179.7845 36 V 3.6672 7.7676 117.6474 65.9126 31.4756 177.7063 37 L 3.9425 8.5365 120.4424 58.2126 42.0475 178.8966 38 R 4.0515 8.1681 118.5658 59.7356 29.8349 177.8990 39 Y 4.2275 7.9635 118.1638 60.6768 38.8367 176.9697 40 C 4.1631 8.3158 116.6549 60.8733 28.8405 174.2067 41 E 4.4606 8.1974 116.3014 54.7815 31.0104 174.8994 42 N 4.3166 7.9214 116.2168 54.7839 37.9197 173.4206 43 K 4.8337 7.7839 113.5557 54.6707 36.3451 175.9307 44 F 4.9255 8.4519 121.3688 56.7657 42.4681 173.3945 45 N 4.8105 7.1540 123.0684 51.2454 41.3687 174.7251 46 D 4.3799 8.5102 122.3533 56.5165 41.3865 177.0100 47 K 3.9609 7.6404 120.1672 56.3490 32.6447 176.2540 48 H 4.5083 8.5480 125.9904 55.4291 28.4449 174.2609 49 I 4.0391 7.6994 127.1251 59.1901 35.8549 175.0090 50 T 3.6943 7.9632 120.2949 64.0912 68.8333 174.1547 51 T 4.2155 8.4572 123.3287 63.2665 69.0740 174.6764 52 L 4.3597 8.3887 125.8208 55.5408 42.5414 175.9444 53 G 4.1730 7.3549 103.2885 45.2879 0.0000 172.9293 54 A 5.3959 9.0901 122.0988 51.7190 19.2898 177.0258 55 S 4.5553 8.5360 113.9924 57.3797 66.3248 173.1846 56 F 5.1107 7.7133 114.7519 54.8649 40.5776 173.9402 57 L 4.5733 8.5188 119.2454 53.2530 45.6214 175.2745 58 T 5.1273 8.2254 117.2496 61.9685 70.4125 174.0419 59 K 4.5393 9.1792 129.8468 55.0494 35.3200 175.2353 60 K 5.1250 8.6364 130.1513 53.6242 33.8504 172.9359 61 L 4.8892 9.4472 124.1915 52.0803 45.8913 175.1038 62 N 4.8746 8.8588 120.8899 52.5845 40.1866 173.0600 63 I 4.1577 8.8158 128.5832 61.2100 38.5718 176.7702 64 G 4.1277 8.0045 112.4827 45.2500 0.0000 173.9199 65 G 3.9617 8.6821 111.4811 45.3494 0.0000 174.9153 66 K 4.2985 8.0204 124.4007 54.4659 32.6995 181.8430 67 R 4.7627 8.6359 125.0277 55.5271 30.8685 172.1924 68 V 4.8305 9.5257 125.6952 60.2707 34.2394 173.8414 69 N 5.2947 9.3761 126.1695 51.7217 40.7370 173.6926 70 L 5.1845 9.3105 124.5153 53.1358 44.3365 175.6408 71 A 5.0675 9.3369 126.9010 50.8848 20.2530 175.9488 72 I 4.8161 8.9736 124.2458 60.8365 38.6916 175.2824 73 W 5.1574 9.8201 128.8873 55.7010 30.3873 175.3857 74 D 5.3910 9.3790 125.0425 52.9402 43.1933 175.0014 75 T 4.9283 8.3296 112.5083 59.5450 72.5070 173.1861 76 A 4.3561 8.7079 125.7736 51.8180 18.5341 178.1818 77 G 3.8436 8.9432 114.7582 48.3411 0.0000 174.1525 78 Q 4.5272 8.0267 120.0650 55.3285 29.0504 181.1772 *86 P 3.3208 0.0000 0.0000 63.1635 32.9458 182.3512 87 I 3.7350 7.5558 117.8468 63.2290 35.7866 179.4489 *88 Y 3.7281 7.5453 118.0365 59.7295 36.8564 178.7139 89 Y 4.5479 7.2060 118.7625 56.4137 38.4772 175.8237 90 R 3.9583 7.0261 118.5277 57.8570 29.7944 180.6146 91 D 4.5796 8.8414 120.2756 54.3604 38.2615 173.9978 92 S 4.3749 7.6235 116.4234 58.7098 63.5516 174.9075 93 N 4.6107 9.2163 122.3621 55.0565 39.9411 175.2607 94 G 4.5700 7.9432 104.0121 44.4775 0.0000 171.5104 95 A 5.1423 8.9867 122.8438 49.9030 22.8321 175.2617 96 I 4.4966 8.9392 123.4562 59.6409 39.4128 175.1360 97 L 4.7058 9.2002 129.5748 53.4777 42.6243 175.9777 98 V 4.8388 8.6783 125.6226 61.4342 32.9455 174.5025 99 Y 5.0720 8.8726 125.1181 55.3034 42.3367 173.3651 100 D 5.1523 9.1176 120.1500 52.4972 42.4363 177.3774 101 I 3.9949 8.6651 120.5690 63.4602 37.7617 177.3985 102 T 4.4781 8.3474 109.5449 61.0736 69.1725 174.0411 103 D 4.7744 8.2332 122.6742 51.9041 42.7133 175.4235 104 E 4.1280 8.9034 128.3594 59.4647 29.7742 177.9845 105 D 4.4204 8.2780 118.7208 57.5493 40.6702 178.9062 106 S 4.2594 8.5479 114.0074 61.2433 63.2611 176.2016 107 F 4.0639 7.9772 122.8955 61.2725 38.6717 177.3138 108 Q 3.5247 8.1229 119.9741 59.1642 27.9414 179.6307 109 K 4.0003 7.9225 124.6499 59.3631 31.6752 182.9948 110 V 4.0135 7.4936 117.8561 66.4132 31.4331 178.1962 111 K 4.4675 7.4298 121.2065 59.4955 31.7975 179.6187 112 N 4.2668 7.7372 119.0258 57.2300 37.4174 179.5656 113 W 4.4195 7.9563 121.0540 59.5197 29.1475 178.5472 114 V 3.6808 8.0874 120.6289 66.5993 31.1136 178.7611 115 K 4.0248 8.0870 125.4191 60.5996 31.4144 181.3335 116 E 4.2505 8.1144 119.8066 60.8516 29.5572 181.0504 117 L 4.0231 8.0965 120.2039 57.7113 41.6934 179.8857 118 R 3.9849 8.3838 120.6375 59.6215 29.7241 179.9133 119 K 4.1297 7.9870 125.1931 60.3429 31.7621 182.2263 120 M 4.5792 7.7936 119.8385 58.2184 31.7638 179.5220 121 L 4.8523 8.0383 116.2090 52.9867 44.3415 178.6566 122 G 3.7731 8.0022 109.8732 46.3585 0.0000 174.9096 123 N 4.4658 8.8416 119.6879 53.8224 38.2001 173.2228 124 E 4.1599 7.6279 113.9095 59.7243 29.9885 182.9400 125 I 4.1467 7.4975 119.6879 60.7698 38.9622 175.3597 126 C 4.3733 8.8683 127.8008 59.4909 29.1396 172.5091 127 L 4.9408 8.4722 124.3211 53.5130 43.7535 175.3598 128 C 5.4130 9.1085 120.8142 58.0691 31.6153 172.8796 129 I 4.8895 8.9269 124.9383 59.7298 39.1380 174.7913 130 V 4.5121 9.1474 128.3586 60.9615 34.1107 174.9614 131 G 3.1166 8.6886 117.3425 45.0482 0.0000 172.0444 132 N 5.1810 8.4831 126.3525 51.5951 41.5584 174.4619 133 K 4.0332 8.7858 117.5990 58.1326 28.6530 178.5510 134 I 3.8454 7.6429 113.5945 62.9917 37.3405 176.7733 135 D 4.4584 8.0802 120.8061 55.4219 39.5731 176.8322 136 L 4.4308 7.9170 121.2044 54.1435 42.5366 178.2868 137 E 3.8846 8.3695 121.9549 59.3359 29.7069 178.8558 138 K 3.9807 8.0871 116.6706 58.7657 31.8837 177.2435 139 E 4.4959 8.2011 117.3006 55.6315 29.7451 175.4992 140 R 4.2580 7.6779 120.0990 57.2711 30.3012 176.0100 141 H 4.8815 9.2129 120.1660 55.0581 30.9053 173.7181 142 V 4.1320 7.6244 119.3604 61.3429 32.6588 175.6225 143 S 4.1914 8.2503 121.2010 57.9130 63.0550 174.6935 144 I 3.6556 8.3498 130.6490 64.7058 36.9420 178.3091 145 Q 3.9400 7.9321 118.2445 58.8321 28.5297 178.2989 146 E 3.8942 8.3488 120.2724 59.1629 29.6226 178.7312 147 A 3.9634 7.7350 120.7360 55.1828 18.3506 179.5211 148 E 3.8027 8.3138 117.4315 59.4662 29.5567 179.3911 149 S 4.0610 8.1961 113.2675 61.5803 62.3105 175.5509 150 Y 4.1012 8.4944 122.1936 60.6456 38.5601 177.6243 151 A 3.8815 8.3005 121.8267 55.4041 18.6057 179.1593 152 E 3.8156 8.3166 117.8665 59.4748 29.4694 179.1949 153 S 4.1673 7.9856 113.0580 60.5480 62.9507 175.8891 154 V 4.1771 6.8948 113.6759 60.1871 31.6588 176.1116 155 G 3.7317 7.5317 105.4888 46.1884 0.0000 173.8143 156 A 4.7219 7.8937 123.4352 51.0085 21.0381 178.0007 157 K 4.5059 8.3796 121.6468 53.8217 34.6247 174.9684 158 H 5.2950 8.3575 122.4976 54.7560 31.6689 173.6709 159 Y 4.7781 8.5109 121.1522 56.6082 42.4671 173.6462 160 H 5.4364 8.8919 119.7077 54.4597 30.6996 174.1495 161 T 4.9646 8.8415 112.2716 60.0522 72.9858 173.0285 162 S 4.6747 8.9402 116.5261 56.5645 64.7069 174.5228 163 A 3.9866 8.7110 131.5451 55.0155 18.6158 179.4622 164 K 2.4800 7.6382 115.9670 58.6935 32.1794 177.4202 165 Q 4.1723 7.7618 114.2964 54.7175 29.5515 174.8253 166 N 4.1332 7.2163 114.5882 54.8355 37.7054 173.9526 167 K 4.4806 8.3179 118.3577 55.7755 35.2362 178.4267 168 G 4.0564 8.8980 110.9015 46.3245 0.0000 175.4402 169 I 3.7120 7.6241 120.8555 64.2783 37.3256 177.6496 170 E 4.1794 8.2755 118.9301 59.7191 29.3026 179.1991 171 E 4.0084 8.1713 117.9203 59.1614 29.5313 178.8948 172 L 3.2592 7.8439 120.2550 58.1913 42.1340 179.2159 173 F 3.8447 7.7268 117.5431 60.0588 38.7482 177.5537 174 L 4.0118 8.0901 120.1238 58.2725 41.9307 178.6097 175 D 4.3328 8.2772 118.1361 57.1562 41.1222 177.8257 176 L 3.8366 7.9062 120.9663 58.3219 41.9942 178.7507 177 C 3.9480 8.1100 116.5427 62.7067 28.1353 176.2085 178 K 3.8728 8.0215 119.9535 59.6753 31.3830 179.6867 179 R 3.9163 8.0726 118.2460 59.4137 29.7099 179.0609 180 M 3.9067 7.7521 117.9303 58.0378 31.8149 178.5378 181 I 3.8938 7.5509 122.0596 64.7608 37.3344 178.3525 182 E 4.2435 7.8500 116.7946 59.7274 29.7913 179.6404 183 T 4.3949 7.2194 117.7136 64.7202 68.6642 173.9347 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 17 A 8.26 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.18 4.33 0.00 2.81 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 0.00 0.00 0.00 19 S 8.88 4.91 0.00 3.72 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.25 5.28 0.00 3.10 2.84 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 21 K 8.84 5.09 0.00 1.90 1.73 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.58 7.81 22 V 9.24 5.09 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 1.03 0.00 0.00 1.04 0.00 0.00 23 V 8.52 5.01 2.09 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 0.79 0.00 0.00 0.94 0.00 0.00 24 L 8.74 5.05 0.00 1.70 1.63 1.12 0.97 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 25 L 9.81 4.48 0.00 0.79 0.13 0.35 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.33 4.58 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 27 E 8.27 4.33 0.00 2.11 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 2.54 2.34 0.00 28 G 8.68 3.71 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 0.00 0.00 0.00 29 C 7.90 4.42 0.00 3.09 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 30 V 7.46 3.77 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 0.83 0.00 0.00 1.01 0.00 0.00 31 G 8.47 4.32 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 0.00 32 K 8.62 3.93 0.00 1.85 2.00 0.00 1.66 0.00 0.00 1.78 0.00 0.00 3.16 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.57 7.81 33 T 7.81 4.13 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 1.25 0.00 0.00 34 S 8.17 4.29 0.00 4.17 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 0.00 35 L 8.22 4.09 0.00 1.97 1.85 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.77 3.67 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 1.10 0.00 0.00 1.13 0.00 0.00 37 L 8.54 3.94 0.00 1.82 1.77 0.91 0.83 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 38 R 8.17 4.05 0.00 2.18 2.25 0.00 3.32 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 1.69 1.78 0.00 39 Y 7.96 4.23 0.00 3.00 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 40 C 8.32 4.16 0.00 2.96 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 41 E 8.20 4.46 0.00 1.98 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 2.17 2.30 0.00 42 N 7.92 4.32 0.00 2.80 2.81 0.00 0.00 6.90 6.08 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 43 K 7.78 4.83 0.00 1.75 1.67 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.61 7.81 44 F 8.45 4.93 0.00 2.92 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 7.15 4.81 0.00 2.40 2.47 0.00 0.00 7.02 8.06 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 46 D 8.51 4.38 0.00 2.68 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.64 3.96 0.00 1.67 1.63 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.40 7.81 48 H 8.55 4.51 0.00 3.09 3.25 0.00 5.97 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.70 4.04 1.81 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 1.36 0.61 0.87 0.00 0.00 50 T 7.96 3.69 4.19 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 0.00 0.00 0.00 1.23 0.00 0.00 51 T 8.46 4.22 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 1.29 0.00 0.00 52 L 8.39 4.36 0.00 1.65 1.73 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.35 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 0.00 0.00 0.00 0.00 54 A 9.09 5.40 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.54 4.56 0.00 3.69 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 7.71 5.11 0.00 2.22 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 57 L 8.52 4.57 0.00 1.52 1.44 0.85 0.36 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 58 T 8.23 5.13 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 59 K 9.18 4.54 0.00 1.72 1.61 0.00 1.18 0.00 0.00 1.07 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.18 1.26 7.81 60 K 8.64 5.12 0.00 1.56 1.56 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.27 1.01 7.81 61 L 9.45 4.89 0.00 1.64 1.61 1.07 0.79 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 62 N 8.86 4.87 0.00 2.70 2.72 0.00 0.00 7.00 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 63 I 8.82 4.16 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.78 0.94 0.00 0.00 64 G 8.00 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 65 G 8.68 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 66 K 8.02 4.30 0.00 1.70 1.71 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.43 1.00 7.81 67 R 8.64 4.76 0.00 1.50 1.85 0.00 3.16 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.19 0.00 68 V 9.53 4.83 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 1.18 0.00 0.00 1.09 0.00 0.00 69 N 9.38 5.29 0.00 2.63 2.75 0.00 0.00 6.46 6.75 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 70 L 9.31 5.18 0.00 1.90 1.71 1.22 0.74 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 71 A 9.34 5.07 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 72 I 8.97 4.82 1.95 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 1.44 1.07 1.10 0.00 0.00 73 W 9.82 5.16 0.00 3.44 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 74 D 9.38 5.39 0.00 2.74 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.33 4.93 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 1.29 0.00 0.00 76 A 8.71 4.36 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 77 G 8.94 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 93 N 9.22 4.61 0.00 2.74 2.88 0.00 0.00 6.36 7.50 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 94 G 7.94 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.99 5.14 1.11 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 96 I 8.94 4.50 1.75 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.56 0.69 0.00 0.00 97 L 9.20 4.71 0.00 1.70 1.68 1.02 0.63 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 98 V 8.68 4.84 2.09 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 0.74 0.00 0.00 0.93 0.00 0.00 99 Y 8.87 5.07 0.00 3.19 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 9.12 5.15 0.00 2.84 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 0.00 101 I 8.67 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0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.31 7.81 110 V 7.49 4.01 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 1.11 0.00 0.00 1.17 0.00 0.00 111 K 7.43 4.47 0.00 1.70 1.66 0.00 1.32 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.30 0.46 7.81 112 N 7.74 4.27 0.00 2.74 2.83 0.00 0.00 7.03 7.84 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 0.00 113 W 7.96 4.42 0.00 3.56 3.14 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 0.00 114 V 8.09 3.68 2.38 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 1.07 0.00 0.00 1.15 0.00 0.00 115 K 8.09 4.02 0.00 1.84 1.81 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.33 7.81 116 E 8.11 4.25 0.00 2.00 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 2.24 2.22 0.00 117 L 8.10 4.02 0.00 1.78 1.63 0.81 0.32 0.00 0.00 0.00 0.00 0.00 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 0.17 0.00 0.00 1.12 0.00 0.00 143 S 8.25 4.19 0.00 3.86 3.60 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 0.00 0.00 0.00 0.00 144 I 8.35 3.66 1.85 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 1.70 0.55 0.93 0.00 0.00 145 Q 7.93 3.94 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 146 E 8.35 3.89 0.00 1.98 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 2.42 2.40 0.00 147 A 7.73 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 E 8.31 3.80 0.00 2.00 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 2.17 2.28 0.00 149 S 8.20 4.06 0.00 3.93 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 0.00 150 Y 8.49 4.10 0.00 3.27 3.37 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 0.00 151 A 8.30 3.88 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 0.00 152 E 8.32 3.82 0.00 2.00 2.05 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 2.26 2.28 0.00 153 S 7.99 4.17 0.00 4.02 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 0.00 154 V 6.89 4.18 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 0.35 0.00 0.00 0.55 0.00 0.00 155 G 7.53 3.73 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 0.00 156 A 7.89 4.72 1.25 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 0.00 0.00 157 K 8.38 4.51 0.00 1.44 1.66 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.28 1.22 7.81 158 H 8.36 5.29 0.00 3.11 3.11 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 0.00 159 Y 8.51 4.78 0.00 2.77 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 0.00 160 H 8.89 5.44 0.00 3.04 3.18 0.00 5.64 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 0.00 161 T 8.84 4.96 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 162 S 8.94 4.67 0.00 3.80 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 0.00 163 A 8.71 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 0.00 164 K 7.64 2.48 0.00 0.84 1.44 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.11 0.78 7.81 165 Q 7.76 4.17 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.42 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 166 N 7.22 4.13 0.00 2.82 2.79 0.00 0.00 6.91 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 K 8.32 4.48 0.00 1.78 1.65 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.47 7.81 168 G 8.90 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 0.00 0.00 0.00 169 I 7.62 3.71 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.88 1.08 0.00 0.00 170 E 8.28 4.18 0.00 2.06 2.13 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 2.53 2.45 0.00 171 E 8.17 4.01 0.00 2.25 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 2.44 2.47 0.00 172 L 7.84 3.26 0.00 1.39 1.51 -0.27 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 173 F 7.73 3.84 0.00 2.59 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 0.00 174 L 8.09 4.01 0.00 1.92 1.78 0.97 0.99 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 0.00 175 D 8.28 4.33 0.00 3.00 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 0.00 176 L 7.91 3.84 0.00 1.58 1.66 0.79 0.64 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 0.00 177 C 8.11 3.95 0.00 3.24 3.01 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 0.00 0.00 0.00 0.00 178 K 8.02 3.87 0.00 1.98 1.83 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.67 7.81 179 R 8.07 3.92 0.00 1.92 1.91 0.00 3.27 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 180 M 7.75 3.91 0.00 0.52 1.05 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 181 I 7.55 3.89 1.83 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.38 0.72 0.00 0.00 182 E 7.85 4.24 0.00 2.10 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 2.26 2.22 0.00 183 T 7.22 4.39 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 1.28 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.