NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.4227 8.3193 115.4130 58.8492 64.2801 171.8462 0 H 4.6393 8.0271 115.1119 53.9671 31.1026 170.6092 1 M 4.5584 8.3061 119.6876 54.0080 34.4276 176.3067 2 S 4.5269 8.2191 118.5899 57.2962 65.9017 172.0898 3 V 4.2431 8.3907 119.7598 61.5763 32.6441 175.8448 4 S 4.8338 8.6722 120.3618 57.8309 64.7126 173.6183 5 K 4.6903 7.7314 121.4888 54.7012 34.2735 174.8115 6 F 5.1658 9.1341 123.8240 55.6277 41.5037 174.9246 7 I 4.6786 9.2013 124.5117 59.3638 40.4017 174.3570 8 K 4.7896 9.5121 129.7341 55.3044 33.6432 174.5277 9 C 5.0583 9.4271 129.2015 57.6193 34.0299 172.3706 10 V 4.8522 8.1077 126.6355 61.5776 33.3061 174.2724 11 T 4.9922 9.0649 125.5857 62.5419 69.6037 174.5555 12 V 4.5497 8.8317 118.8134 58.1057 36.3748 174.1207 13 G 3.7568 7.1462 105.7958 43.2849 0.0000 173.3261 14 D 4.8642 8.7074 120.6328 54.0234 41.4659 176.8941 15 G 3.7202 8.6723 109.8817 47.2224 0.0000 173.2228 16 A 3.7663 8.6626 123.7391 53.0501 15.9962 179.0584 17 V 3.8466 7.2917 111.9040 63.3534 32.1797 177.1383 18 G 4.2751 8.3652 109.8395 45.8176 0.0000 176.2763 19 K 3.9145 8.5362 120.7428 59.5327 32.0545 179.0521 20 T 3.9458 7.8196 115.3285 66.9934 68.4580 176.3585 21 C 4.0930 8.0292 118.0162 62.9428 28.0550 175.8653 22 M 4.4716 7.9925 121.6512 57.9566 31.6059 178.8718 23 L 3.4703 7.5512 118.4993 57.5288 41.7062 179.5965 24 I 3.2683 7.5504 120.1554 64.1132 36.8899 178.0600 25 C 4.2431 8.3255 121.2267 62.0810 31.2585 174.6856 26 Y 4.1141 7.8096 120.0784 61.2260 38.4020 178.2293 27 T 3.7171 7.4563 108.8800 63.3696 69.0695 175.0990 28 S 4.5134 7.5017 112.9265 56.6391 64.4465 173.7235 29 N 4.3750 8.5356 119.6558 54.5735 36.5727 174.4799 30 K 4.6837 7.5893 117.6798 52.5590 35.4779 177.8826 31 F 4.8305 8.7144 124.7070 55.5394 40.2851 173.6949 32 P 4.2831 0.0000 0.0000 62.8833 31.7048 176.0530 33 T 4.4237 8.4002 111.7150 61.5186 72.0746 174.9640 34 D 4.5265 8.2072 117.3478 53.1607 38.9841 178.2406 35 Y 4.1940 9.2982 114.1481 57.2184 39.8582 173.6894 36 I 4.1658 7.4754 127.2248 58.3865 39.8825 173.7750 37 P 4.0245 0.0000 0.0000 62.2687 32.2088 176.4410 38 T 4.0239 8.6143 116.8282 66.3516 68.4752 175.0840 39 V 4.7059 7.3466 111.6088 58.9275 35.1174 175.3787 40 F 4.3818 9.4709 126.9013 57.8692 39.8505 174.7700 41 D 4.2190 7.8138 126.4674 54.1462 41.1536 176.1637 42 N 3.9803 8.3715 120.4664 54.1453 39.4293 173.7718 43 F 4.8287 8.4882 125.6317 56.4619 42.9688 173.3347 44 S 4.9358 7.9247 119.4932 56.7258 64.9550 172.5908 45 A 4.5182 8.4729 127.5850 50.2801 22.9022 174.9443 46 N 4.8475 8.6535 118.4522 53.5217 39.4530 174.8898 47 V 4.5026 8.9446 122.8216 61.0347 35.3048 173.8542 48 A 4.8493 8.6994 129.6817 51.1138 19.5736 176.8554 49 V 4.0664 8.8284 125.3757 62.4236 33.5413 175.5634 *50 D 4.2024 9.7590 122.5218 55.0519 36.4134 170.0929 51 G 3.9870 7.9300 115.2433 45.5188 0.0000 171.2119 52 Q 4.5062 7.1520 114.7821 55.1467 32.8381 172.7425 53 I 4.9113 8.5722 126.5576 59.7931 39.2923 175.3213 54 V 4.3392 8.6714 120.4960 59.4945 35.3171 174.4505 55 N 4.9475 8.4196 121.9938 52.2758 40.3401 173.4044 56 L 4.9824 8.9241 130.1203 53.6027 44.1351 175.2294 57 G 4.3726 9.7842 115.7208 45.2475 0.0000 172.1113 58 L 5.4154 9.6524 127.1678 53.1335 43.9340 175.6062 59 W 4.9140 9.5450 125.5515 55.0540 30.9684 175.7827 60 D 5.2175 8.9637 124.9966 54.0025 41.8802 174.8159 61 T 5.0795 8.4305 110.5234 60.0133 72.9604 172.4581 62 A 4.8543 8.5694 123.8615 49.7923 22.0396 176.4384 63 G 3.9559 8.9059 111.0390 46.1477 0.0000 172.9072 64 Q 4.4179 8.2459 120.5039 53.6626 32.3821 175.0598 65 E 3.8790 8.5729 122.9865 56.1047 28.9221 175.0656 66 D 4.6649 7.4474 127.3762 53.2683 43.7097 175.4276 67 Y 5.2439 8.7714 134.5642 58.8824 37.5679 171.3041 *71 R 2.5100 7.3672 120.8879 54.5138 30.9147 173.0477 72 P 3.9312 0.0000 0.0000 63.1555 31.9288 177.6492 73 L 3.9528 8.7521 123.7492 57.4380 40.8818 176.3796 74 S 4.1035 8.0017 111.9415 61.1407 63.3763 175.1308 75 Y 4.3650 8.3465 119.5449 60.2442 37.9650 175.9253 76 R 3.9957 7.6363 120.3096 57.8468 30.2926 176.4877 77 G 3.7882 8.9759 111.9621 45.5487 0.0000 173.2007 78 A 3.7259 7.5135 122.8610 52.5390 18.5456 177.9600 79 D 4.6093 8.4800 122.7722 56.1760 42.0831 176.8441 80 I 4.3865 7.0714 115.7058 60.0035 41.4548 172.8837 81 F 5.1375 8.9299 127.0751 55.8277 41.7335 174.8826 82 V 4.4940 8.7070 123.3627 61.4051 33.1367 174.2887 83 L 4.8091 8.8740 131.5696 53.5052 43.1964 174.6267 84 A 5.2933 8.6455 129.5373 50.3066 21.3113 175.4896 85 F 4.9399 8.6566 116.1565 54.8669 42.4221 173.7255 86 S 5.0637 8.9293 115.1482 57.0539 62.9006 175.1754 87 L 4.3425 8.7381 127.6661 56.7556 41.5109 177.8071 88 I 4.3372 7.5694 111.1012 60.1966 37.8271 176.1019 89 S 4.5426 8.1601 115.6266 55.9419 64.1603 173.9420 90 K 3.8966 8.7673 130.0689 60.1379 32.1733 178.5966 91 A 4.2016 8.0603 121.5111 54.9639 18.1847 179.5734 92 S 4.8451 8.0205 113.1483 61.1971 63.1987 175.6937 93 Y 3.7091 8.1391 123.0031 60.6277 38.5218 178.0572 94 E 4.0805 8.6731 119.5037 59.7214 29.5554 179.2472 95 N 4.4145 8.4848 116.1134 55.6606 38.4373 177.5229 96 V 3.8293 7.5859 120.2601 66.2162 31.3372 178.0925 97 L 3.9643 7.6110 116.5793 57.7209 41.7155 179.1293 98 K 4.1115 8.0779 117.4531 58.0843 32.2682 177.7625 99 K 4.1188 8.1071 117.6792 57.7015 33.5717 178.2234 100 W 4.2988 7.6464 118.3550 59.8668 29.1331 177.9995 101 M 3.9903 8.3985 118.5484 58.3099 31.6520 176.3178 102 P 4.1620 0.0000 0.0000 65.6174 31.5311 178.1647 103 E 3.9520 8.0746 117.8898 59.4499 29.6104 178.8945 104 L 4.0150 8.4193 119.3550 57.6187 41.3964 179.6582 105 R 3.9268 8.0467 117.8580 59.0119 30.0063 178.8008 106 R 3.8351 7.7803 117.7543 58.7734 30.2373 177.6993 107 F 5.0321 7.8530 113.6198 57.1375 41.1116 176.1457 108 A 4.7729 7.9387 120.7833 50.6229 20.3944 174.3797 109 P 4.4580 0.0000 0.0000 63.6086 32.6646 177.4617 110 N 4.5378 8.8427 115.9578 53.3027 36.7330 174.4961 111 V 4.1963 7.3318 119.2003 61.2102 32.3769 174.2089 112 P 4.6640 0.0000 0.0000 63.0654 33.1143 174.9563 113 I 5.1127 8.1588 119.7397 59.6295 41.5762 174.3944 114 V 4.5333 8.7962 126.7739 61.0999 33.4528 174.1698 115 L 4.8291 8.8326 131.1575 54.4353 43.6110 175.3666 116 V 4.6480 9.0839 126.3310 61.0096 34.6710 174.1271 117 G 3.4977 8.6530 116.2270 44.9693 0.0000 173.4160 118 T 4.7381 8.3277 116.7284 59.9182 72.1463 174.6196 119 K 3.7317 8.3627 116.8279 57.2179 29.6796 177.8611 120 L 3.9641 7.7457 123.1651 58.5417 41.5466 177.8889 121 D 4.3422 7.9378 117.4942 55.8377 39.4742 178.1225 122 L 4.0902 8.0120 120.8913 57.2664 41.7990 178.8696 123 R 3.8276 7.7045 116.6309 59.3589 30.1855 177.3069 124 D 4.7299 7.9313 115.4258 53.6309 41.5171 176.1740 125 D 4.4675 7.5968 121.5859 53.9084 41.7949 177.1785 126 K 4.1410 8.9049 126.4785 59.3804 31.8355 179.5407 127 G 3.6266 8.1820 105.1204 47.8413 0.0000 174.7058 128 Y 4.3625 8.4048 121.9335 60.6411 38.6279 178.1439 129 L 3.7492 8.2861 119.6931 57.4771 41.4294 179.3385 130 A 4.0774 8.1603 120.4767 54.5319 18.3879 178.5236 131 D 4.5416 7.5277 114.9151 54.1532 41.6161 176.2964 132 H 4.7567 7.1502 115.3845 53.9986 31.7289 173.2677 133 T 4.3429 8.5168 112.9124 61.7098 70.4592 174.5147 134 N 4.6694 7.8350 121.4573 51.5951 37.4888 173.5600 135 V 4.4839 7.4419 114.0650 58.6134 35.0859 175.9118 136 I 4.3003 8.5667 122.9652 60.6894 36.9414 176.6511 137 T 4.5649 8.1450 116.5295 60.3352 71.8729 175.4074 138 S 4.8013 8.6301 118.9220 61.6603 62.7829 177.1906 139 T 3.8784 7.9800 117.6680 66.9360 68.1173 176.4805 140 Q 4.1656 8.0732 119.6092 58.7540 28.6853 178.8746 141 G 3.2698 8.1993 108.2634 47.0182 0.0000 175.4367 142 E 3.6827 8.0835 121.7081 58.7202 29.5875 178.4834 143 E 3.8623 8.2230 119.6340 58.9351 29.6959 178.5408 144 L 3.6854 8.0646 120.7606 57.9246 42.0792 178.6323 145 R 3.8053 7.7681 118.7320 59.4661 29.7339 178.0076 146 K 3.8023 7.8278 117.7057 59.9679 32.2144 178.3737 147 Q 4.1010 7.9503 116.9776 58.3230 28.6950 177.9227 148 I 4.1500 7.7557 112.1489 60.6403 38.1982 176.4806 149 G 3.7658 7.9755 108.4413 46.0706 0.0000 173.7019 150 A 4.1915 7.7638 120.8874 51.5115 19.1014 178.5571 151 A 4.3292 8.9436 122.7678 54.7307 19.1708 177.6823 152 A 4.7037 7.7308 114.7073 51.1212 22.9029 174.6125 153 Y 5.3244 8.5176 119.3236 56.0384 42.2735 174.1920 154 I 4.4031 8.3148 126.2362 59.4115 41.6763 173.8787 155 E 4.8392 8.2208 125.5087 54.8764 31.6383 174.8042 156 C 5.0044 8.8337 118.3617 56.7438 34.4041 172.8360 157 S 4.6027 8.6656 113.1507 56.5699 64.5243 174.9434 158 S 4.1787 8.8117 124.1830 61.3724 63.1623 176.7966 159 K 2.4800 7.5865 120.7985 58.6615 31.8545 177.4630 160 T 4.1220 7.4771 105.8495 61.1607 69.5300 175.5770 161 Q 3.7919 7.9718 120.9618 55.8355 27.6312 173.0964 162 Q 4.0517 7.6122 118.2071 57.3799 29.1071 177.0135 163 N 4.2618 9.0219 118.6644 54.0159 36.7059 176.3778 164 V 3.5569 7.6679 119.1527 65.9484 31.5338 177.7463 165 K 4.2313 8.2705 118.7363 59.8044 31.9637 178.2862 166 A 3.9515 7.9734 120.3730 54.8519 18.1596 179.4689 167 V 3.1866 7.4257 116.4342 66.3359 31.5256 178.2671 168 F 3.9951 7.2509 116.4733 59.8500 38.6596 177.7207 169 D 4.4578 8.3873 118.9957 57.7525 40.5723 179.0771 170 T 3.7986 8.0672 115.8817 66.4582 68.3440 176.3804 171 A 3.9439 7.9599 122.8637 55.4588 18.3378 179.8186 172 I 3.6619 7.8011 117.8357 64.5712 37.2183 178.7838 173 K 3.9528 8.3044 119.5946 59.4786 31.6154 179.4537 174 V 3.5741 7.9233 117.9688 66.0718 31.5009 177.9916 175 V 3.7295 7.3837 116.7160 65.9383 31.4569 177.6203 176 L 4.2226 7.8261 117.6353 56.2288 41.8695 177.6056 177 Q 4.3622 7.4246 116.7091 54.0327 29.7224 173.9489 178 P 4.3456 0.0000 0.0000 62.3555 31.9674 174.9752 179 P 4.4277 0.0000 0.0000 63.1320 31.4185 176.1402 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 S 8.32 4.42 0.00 3.96 3.94 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 0 H 8.03 4.64 0.00 3.30 3.29 0.00 5.51 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 1 M 8.31 4.56 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 2 S 8.22 4.53 0.00 4.01 3.88 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 3 V 8.39 4.24 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 0.28 0.00 0.00 0.86 0.00 0.00 4 S 8.67 4.83 0.00 4.06 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 5 K 7.73 4.69 0.00 1.64 1.73 0.00 1.62 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.44 7.81 6 F 9.13 5.17 0.00 2.89 3.03 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 7 I 9.20 4.68 1.91 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 1.14 1.08 0.94 0.00 0.00 8 K 9.51 4.79 0.00 1.82 1.72 0.00 1.28 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 1.22 7.81 9 C 9.43 5.06 0.00 3.03 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 10 V 8.11 4.85 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 1.19 0.00 0.00 0.58 0.00 0.00 11 T 9.06 4.99 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 1.22 0.00 0.00 12 V 8.83 4.55 1.48 0.00 0.00 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 0.69 0.00 0.00 13 G 7.15 3.76 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 0.00 0.00 0.00 14 D 8.71 4.86 0.00 2.89 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 15 G 8.67 3.72 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 0.00 0.00 0.00 16 A 8.66 3.77 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 17 V 7.29 3.85 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 0.81 0.00 0.00 0.93 0.00 0.00 18 G 8.37 4.28 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 0.00 19 K 8.54 3.91 0.00 1.82 1.88 0.00 1.63 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.50 7.81 20 T 7.82 3.95 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 21 C 8.03 4.09 0.00 3.06 3.18 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 22 M 7.99 4.47 0.00 2.24 2.32 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.45 0.00 23 L 7.55 3.47 0.00 1.22 0.59 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.55 3.27 1.72 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 1.49 0.60 0.90 0.00 0.00 25 C 8.33 4.24 0.00 3.10 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 26 Y 7.81 4.11 0.00 2.81 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.46 3.72 3.75 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 0.10 0.00 0.00 28 S 7.50 4.51 0.00 3.97 3.94 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 29 N 8.54 4.38 0.00 2.83 2.90 0.00 0.00 6.58 8.36 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 30 K 7.59 4.68 0.00 1.62 1.60 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 1.20 7.81 31 F 8.71 4.83 0.00 2.97 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 32 P 0.00 4.28 0.00 1.96 1.89 0.00 2.99 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 1.48 1.72 0.00 33 T 8.40 4.42 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 1.30 0.00 0.00 34 D 8.21 4.53 0.00 2.82 2.31 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 35 Y 9.30 4.19 0.00 2.86 2.89 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 36 I 7.48 4.17 1.64 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.58 0.74 0.00 0.00 37 P 0.00 4.02 0.00 2.36 2.13 0.00 3.61 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 38 T 8.61 4.02 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 1.24 0.00 0.00 39 V 7.35 4.71 2.15 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 0.76 0.00 0.00 0.96 0.00 0.00 40 F 9.47 4.38 0.00 2.87 2.95 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 41 D 7.81 4.22 0.00 2.13 2.33 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 42 N 8.37 3.98 0.00 2.23 2.47 0.00 0.00 6.72 7.02 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 43 F 8.49 4.83 0.00 3.26 2.96 0.00 0.00 0.00 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0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.62 0.00 72 P 0.00 3.93 0.00 1.16 1.57 0.00 2.31 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.51 0.00 73 L 8.75 3.95 0.00 1.57 1.71 0.92 0.74 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 S 8.00 4.10 0.00 4.28 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 75 Y 8.35 4.36 0.00 3.15 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.64 4.00 0.00 1.77 1.85 0.00 3.33 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 77 G 8.98 3.79 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 0.00 0.00 0.00 78 A 7.51 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.48 4.61 0.00 2.66 2.70 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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7.57 4.34 1.58 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.58 0.32 0.00 0.00 89 S 8.16 4.54 0.00 3.96 3.87 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 90 K 8.77 3.90 0.00 1.97 2.09 0.00 1.57 0.00 0.00 1.92 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.65 7.81 91 A 8.06 4.20 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 92 S 8.02 4.85 0.00 4.27 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 93 Y 8.14 3.71 0.00 3.03 3.13 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 94 E 8.67 4.08 0.00 2.28 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 2.42 2.59 0.00 95 N 8.48 4.41 0.00 3.23 2.99 0.00 0.00 6.63 6.96 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 96 V 7.59 3.83 1.99 0.00 0.00 0.00 0.00 0.00 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0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 105 R 8.05 3.93 0.00 1.95 1.94 0.00 3.13 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 106 R 7.78 3.84 0.00 1.60 1.63 0.00 2.92 0.00 0.00 2.72 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.18 0.00 107 F 7.85 5.03 0.00 3.47 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.94 4.77 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.46 0.00 2.20 2.22 0.00 3.89 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 110 N 8.84 4.54 0.00 2.96 3.11 0.00 0.00 6.89 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.33 4.20 2.39 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 0.83 0.00 0.00 1.04 0.00 0.00 112 P 0.00 4.66 0.00 2.17 2.19 0.00 3.81 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 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2.77 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 0.00 122 L 8.01 4.09 0.00 1.53 1.39 0.81 0.59 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 0.00 123 R 7.70 3.83 0.00 1.75 1.97 0.00 3.53 0.00 0.00 3.55 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.86 0.00 124 D 7.93 4.73 0.00 2.83 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 0.00 125 D 7.60 4.47 0.00 2.99 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 0.00 126 K 8.90 4.14 0.00 1.86 1.86 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.52 7.81 127 G 8.18 3.63 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 0.00 0.00 0.00 128 Y 8.40 4.36 0.00 3.08 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 0.00 129 L 8.29 3.75 0.00 1.87 1.67 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.16 4.08 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 0.00 131 D 7.53 4.54 0.00 2.59 2.52 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 0.00 132 H 7.15 4.76 0.00 2.47 2.93 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 T 8.52 4.34 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 134 N 7.84 4.67 0.00 2.65 2.77 0.00 0.00 6.80 7.71 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 0.00 135 V 7.44 4.48 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.96 0.00 0.00 136 I 8.57 4.30 2.22 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.45 1.17 0.00 0.00 137 T 8.15 4.56 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 1.23 0.00 0.00 138 S 8.63 4.80 0.00 3.99 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 0.00 139 T 7.98 3.88 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 1.22 0.00 0.00 140 Q 8.07 4.17 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 141 G 8.20 3.27 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 0.00 142 E 8.08 3.68 0.00 2.09 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 2.32 2.33 0.00 143 E 8.22 3.86 0.00 2.24 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 0.00 2.32 2.35 0.00 144 L 8.06 3.69 0.00 1.36 1.43 0.42 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 145 R 7.77 3.81 0.00 1.84 2.04 0.00 3.30 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 146 K 7.83 3.80 0.00 1.76 1.97 0.00 1.85 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 147 Q 7.95 4.10 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.62 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 148 I 7.76 4.15 1.83 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 1.70 0.62 0.88 0.00 0.00 149 G 7.98 3.77 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 0.00 150 A 7.76 4.19 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 0.00 151 A 8.94 4.33 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 0.00 152 A 7.73 4.70 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Y 8.52 5.32 0.00 3.01 2.81 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 0.00 154 I 8.31 4.40 1.62 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.51 0.71 0.00 0.00 155 E 8.22 4.84 0.00 1.73 1.71 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 2.10 1.70 0.00 156 C 8.83 5.00 0.00 3.00 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 0.00 157 S 8.67 4.60 0.00 3.84 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 0.00 158 S 8.81 4.18 0.00 4.07 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 0.00 159 K 7.59 2.48 0.00 0.80 1.39 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.04 0.68 7.81 160 T 7.48 4.12 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 1.10 0.00 0.00 161 Q 7.97 3.79 0.00 2.33 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 7.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 162 Q 7.61 4.05 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 5.91 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 163 N 9.02 4.26 0.00 2.94 2.85 0.00 0.00 6.76 7.68 0.00 0.00 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 V 7.67 3.56 2.15 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 1.21 0.00 0.00 0.97 0.00 0.00 165 K 8.27 4.23 0.00 1.99 1.89 0.00 1.82 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.80 1.71 7.81 166 A 7.97 3.95 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 0.00 167 V 7.43 3.19 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 0.08 0.00 0.00 0.69 0.00 0.00 168 F 7.25 4.00 0.00 2.28 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 0.00 169 D 8.39 4.46 0.00 2.78 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 0.00 170 T 8.07 3.80 4.30 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 1.16 0.00 0.00 171 A 7.96 3.94 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 0.00 172 I 7.80 3.66 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.89 0.94 0.00 0.00 173 K 8.30 3.95 0.00 1.90 1.87 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.58 7.81 174 V 7.92 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 0.79 0.00 0.00 0.98 0.00 0.00 175 V 7.38 3.73 2.23 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 0.90 0.00 0.00 1.01 0.00 0.00 176 L 7.83 4.22 0.00 1.68 1.71 0.92 0.88 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 0.00 177 Q 7.42 4.36 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 178 P 0.00 4.35 0.00 2.04 2.00 0.00 3.68 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 2.03 2.09 0.00 179 P 0.00 4.43 0.00 2.18 2.04 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.