NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 H 4.7093 8.3033 117.7510 55.9883 30.8370 171.5626 16 M 4.9184 8.5622 119.7939 53.2103 34.1410 170.4820 17 V 4.6073 8.8538 121.5025 61.1515 36.0180 173.4532 18 K 4.9366 9.8491 129.5672 54.9280 34.1113 174.9716 19 V 4.9535 8.9103 127.2090 61.1168 34.5422 173.9924 20 A 4.9695 8.8003 129.9420 51.0853 20.9251 175.7326 21 L 5.0854 9.0529 122.1122 53.3197 43.5693 175.7447 22 A 5.0094 9.0130 125.9895 49.7479 22.6402 175.1241 23 G 4.2206 7.8803 106.7304 46.1965 0.0000 172.6275 24 C 4.8513 8.3774 117.6713 57.7149 28.8799 172.1920 25 P 4.0740 0.0000 0.0000 64.2088 31.6307 176.1521 26 N 4.1798 8.6270 116.5031 55.4229 35.4392 175.1039 27 V 4.2630 7.7211 106.1915 61.0105 33.3145 176.9754 28 G 3.8902 8.2120 107.6596 46.3083 0.0000 175.9197 29 K 3.9603 8.0757 122.5249 59.4984 32.1058 178.9107 30 T 3.8862 7.8174 115.5379 66.7518 68.4869 176.5567 31 S 4.1404 8.0969 116.5854 61.5884 62.8942 176.4949 32 L 4.1771 7.9985 124.1814 57.5052 41.8842 178.5021 33 F 4.0385 8.4590 120.8685 61.6685 39.2646 176.9372 34 N 4.3416 8.7296 116.0005 56.2642 38.0931 177.3575 35 A 3.9465 7.8849 121.3658 54.9047 18.4834 179.3700 36 L 3.6271 7.6774 117.1942 57.1456 42.0426 178.7537 37 T 4.2785 7.7310 108.4066 60.8237 69.7185 175.9648 38 G 3.6525 8.2461 110.5342 47.3318 0.0000 175.3909 39 T 4.2018 8.5070 113.8319 62.0214 70.0185 175.4543 40 K 4.3908 7.9458 126.6197 54.8865 30.5391 174.9704 41 Q 5.1372 7.4298 117.2630 55.5124 32.0463 173.6338 42 Y 4.9875 8.4196 115.8794 56.0151 41.8453 173.7666 43 V 4.6564 8.4699 113.2655 60.0657 34.0150 175.1837 44 A 4.6434 8.5987 124.9231 51.2671 22.7429 173.9911 45 N 5.1936 8.5235 112.3283 51.2319 41.2108 175.6105 46 W 4.1780 9.3064 122.6014 55.9609 30.5578 174.1659 47 P 4.3804 0.0000 0.0000 64.4932 31.1005 177.0409 48 G 3.9678 9.0924 110.0577 45.8797 0.0000 172.7374 49 V 4.5539 7.5297 111.1835 59.8577 35.4982 175.2541 50 T 4.2642 8.3170 113.3432 62.4562 67.7668 174.4639 51 V 3.8706 7.5838 122.2279 63.3738 32.5434 174.7121 52 E 4.5656 8.9662 129.4392 56.1479 30.6197 175.4471 53 K 4.4259 9.5403 128.3504 54.4291 35.0673 174.5573 54 K 4.6360 8.1936 126.2811 54.7516 34.4794 174.9373 55 E 5.1267 8.2159 123.9218 55.1594 33.8319 174.3147 56 G 4.4849 8.9647 110.7622 45.8919 0.0000 171.5338 57 V 5.2185 8.4019 118.9361 61.3613 34.8253 174.6537 58 F 5.1458 8.7223 120.6471 55.9454 41.8691 172.9556 59 T 5.1496 8.7127 115.3855 62.1229 71.4720 173.7200 60 Y 4.6320 9.1905 126.2812 57.0974 41.4796 175.1878 61 K 3.7132 9.6106 128.8013 57.4915 29.6488 176.2809 62 G 3.9101 8.4541 105.7770 45.2544 0.0000 172.9612 63 Y 4.7111 8.1078 118.2624 56.9955 40.1681 174.6951 64 T 4.8266 9.1546 121.0139 62.1601 70.8132 173.5699 65 I 4.6057 8.6088 128.0854 59.3914 39.7264 174.2852 66 N 4.9854 9.1066 127.4234 52.3443 40.1423 173.2520 67 L 5.0633 8.8045 129.9964 53.6675 44.1110 174.7231 68 I 4.6808 8.7071 127.1017 59.1437 40.5075 173.5546 69 D 4.8725 8.4310 130.1736 53.5734 41.4100 175.8033 70 L 4.5881 8.5270 126.5765 53.0729 42.8907 175.4141 71 P 4.2816 0.0000 0.0000 62.4585 31.9193 176.7475 72 G 3.6473 8.3266 110.3933 45.8221 0.0000 173.3875 73 T 4.5378 8.4876 113.0544 60.1133 71.6265 174.6933 74 Y 4.1999 8.6972 123.9835 60.4958 38.6060 175.8490 75 S 4.7008 7.3099 112.1486 56.7465 65.1923 174.6723 76 L 3.9806 8.9821 126.9860 56.8124 41.5521 178.4491 77 G 3.7746 7.7212 106.4477 46.6789 0.0000 173.6128 78 Y 4.7154 7.0407 117.4119 58.4264 38.3219 176.0890 79 S 4.5953 8.4397 114.2585 58.6478 64.3111 175.1272 80 S 4.4171 7.3912 114.7607 58.0190 64.8241 174.8280 81 I 3.6893 8.1503 121.4505 64.0566 37.8209 177.4233 82 D 4.2164 7.7125 118.8086 57.5897 40.6806 178.8000 83 E 4.0349 8.2271 120.8414 59.6638 29.4554 179.9683 84 K 3.9660 7.8926 123.4482 59.7067 31.7741 181.7142 85 I 3.5658 7.7974 121.2752 64.1010 36.9820 178.4969 86 A 3.8073 7.5341 121.0243 54.9071 18.1097 179.5723 87 R 3.7745 8.2517 117.6118 59.7307 30.1585 178.3199 88 D 4.3291 8.2440 118.8747 57.6973 40.6322 178.3294 89 Y 4.0067 7.7893 118.5148 60.7394 38.8569 177.8308 90 L 4.1076 7.9519 119.0178 57.3736 41.7597 179.2322 91 L 4.1706 7.9126 118.6602 56.9941 42.9159 178.9787 92 K 4.1762 7.7376 121.4099 55.4000 30.2694 177.2074 93 G 3.8676 7.7820 117.5678 45.1277 0.0000 170.8730 94 D 4.2795 7.4548 118.8137 56.8839 42.0971 176.6035 95 A 4.2623 7.4509 120.8352 52.2877 18.9558 176.9506 96 D 4.6921 8.9599 122.6800 56.9217 41.8771 176.1734 97 L 4.3985 7.4900 116.6108 54.9665 43.8991 173.8412 98 V 4.8317 8.5188 118.8905 61.1534 34.8197 174.0467 99 I 4.7308 8.8290 128.8110 59.7268 39.1621 174.3592 100 L 4.7471 8.9522 131.0801 53.8149 43.2412 175.4065 101 V 4.5369 8.7389 127.7638 62.1418 32.4313 175.0916 102 A 4.8398 8.8644 128.9216 48.7682 22.7511 174.3057 103 D 4.6217 8.5913 121.3177 54.2081 41.8601 177.3211 104 S 4.2279 8.5955 122.4969 61.6460 63.0267 176.3127 105 V 3.7815 8.0812 118.7615 65.3920 31.4531 176.0660 106 N 4.9890 7.6260 115.4905 50.2763 38.8123 172.7954 107 P 4.6225 0.0000 0.0000 62.8889 32.1816 177.5169 108 E 3.9374 8.2431 120.0548 60.0547 29.4562 178.6535 109 Q 4.1504 8.1231 117.1113 59.0902 28.5170 178.8559 110 S 4.2002 8.0590 115.8560 61.5623 63.0027 176.5354 111 L 4.0336 8.3642 122.1051 57.5629 41.1875 178.8981 112 Y 3.9626 8.2396 119.7072 60.6213 38.7393 177.7008 113 L 3.7661 8.0540 121.2307 58.0128 42.0662 178.3260 114 L 3.8444 8.1889 120.6211 58.4989 41.6761 179.0388 115 L 3.8787 7.2942 116.5945 57.8787 41.4396 179.1616 116 E 3.9542 7.5434 118.5532 59.3792 29.2829 179.4895 117 I 3.6897 7.9110 120.1327 64.2811 36.9230 178.5000 118 L 4.2600 7.8108 120.3189 57.0088 41.3986 178.9704 119 E 4.0530 7.6530 117.8507 59.1547 29.4488 177.7992 120 M 4.2751 7.6740 115.9962 55.9022 33.4286 175.9088 121 E 4.4490 8.2969 120.3204 54.8344 32.2382 175.7412 122 K 3.9386 8.6035 126.6672 58.9723 32.6228 177.5870 123 K 3.7021 8.8726 119.8625 55.0490 31.2304 175.6686 124 V 4.8292 7.8020 122.8628 60.7610 34.9676 174.0928 125 I 4.7544 8.7517 127.5960 59.4558 40.3072 174.2813 126 L 4.8534 8.7428 129.1192 53.9656 43.3563 175.1709 127 A 4.9591 8.9181 130.3832 50.5723 20.4893 175.5581 128 M 4.6259 8.7128 123.1223 55.9491 33.8280 176.1633 129 T 4.9594 8.4791 112.0485 59.4552 73.3173 173.1353 130 A 4.1343 8.5361 120.4238 53.2319 16.0140 179.5894 131 I 4.0169 7.9249 118.1069 65.8844 37.6608 177.5850 132 D 4.3820 7.9944 121.9704 58.3532 40.1450 181.3187 133 E 4.2511 8.2126 120.5857 58.8613 29.4431 178.2172 134 A 4.0626 7.9985 122.1909 56.0264 18.4888 179.7832 135 K 4.1241 7.6168 122.6017 60.5582 31.7171 180.7285 136 K 4.4659 7.4262 117.8120 54.8348 31.2905 178.3208 *141 I 3.9174 7.5150 119.3798 61.8624 38.2389 175.5601 142 D 4.3689 8.4741 123.7104 53.7817 41.6187 176.8070 143 R 4.1525 8.4838 130.0284 60.6382 30.3485 178.4324 *144 Y 4.0961 8.0609 122.3610 62.5723 36.7562 180.8190 145 E 4.2191 7.7223 118.0575 61.1314 30.0630 181.9688 146 L 4.2067 8.1270 121.9259 58.1019 42.1532 178.9637 147 Q 4.0701 8.6625 122.2528 59.5951 28.7801 178.8383 148 K 3.9862 7.9883 123.8365 60.2011 31.9067 180.3043 149 H 4.4905 8.2598 117.8846 57.8967 29.8686 176.2831 150 L 4.5536 7.8601 118.9445 53.8663 42.4399 177.4742 151 G 3.9798 8.1478 105.9220 45.6408 0.0000 173.0463 152 I 4.7836 7.3026 110.6602 57.6610 40.9967 173.0905 153 P 4.4101 0.0000 0.0000 62.9968 32.3730 175.3915 154 V 4.9090 8.3783 122.8603 61.0721 34.2747 174.6198 155 V 4.5928 8.8562 127.4367 61.1348 34.9791 173.9436 156 F 4.8777 9.0719 126.2603 56.5248 40.3521 174.8213 157 T 5.1145 8.8434 114.2674 59.8988 71.9546 173.8394 158 S 4.4704 8.9455 117.2605 56.7074 64.8294 174.8122 159 S 4.0957 8.9391 124.6858 61.5409 63.1009 177.3725 160 V 3.5755 7.9127 119.4152 65.6469 31.3963 176.7475 161 T 4.1967 7.6392 107.5999 61.4266 69.6932 175.7969 162 G 3.8802 8.4068 110.9822 44.7919 0.0000 172.8871 163 E 4.0233 7.9311 121.4864 57.7465 30.0658 178.0783 164 G 4.3261 8.8525 112.5018 47.1167 0.0000 175.3775 165 L 3.9067 7.7602 120.1185 57.5564 41.4174 179.1146 166 E 3.8839 8.0449 118.1968 59.3136 29.4280 178.7288 167 E 3.9193 8.1857 118.1285 59.4729 29.5835 178.9433 168 L 3.8858 7.9724 120.0956 58.3779 42.1577 179.3036 169 K 3.8116 7.8342 118.1408 59.1577 31.8517 179.0087 170 E 4.0664 8.1018 119.9664 59.2190 29.5437 179.0826 171 K 3.9199 8.2320 118.8827 59.1753 31.9981 179.3041 172 I 3.7586 7.7850 120.1600 64.7521 36.9918 178.9877 173 V 3.1782 7.6397 112.7983 63.9435 30.9625 178.6143 174 E 3.9029 7.7334 117.6359 59.5672 29.3851 178.5732 175 Y 4.4336 7.6284 115.1157 61.2173 38.0547 178.1031 176 A 4.1428 8.0016 120.4152 55.0961 18.3985 177.9504 177 Q 4.3169 7.7146 120.1509 56.2443 29.1346 175.6090 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 15 H 8.30 4.71 0.00 2.97 3.32 0.00 5.56 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 M 8.56 4.92 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.60 0.00 17 V 8.85 4.61 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 1.05 0.00 0.00 1.07 0.00 0.00 18 K 9.85 4.94 0.00 1.92 1.80 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.78 1.55 7.81 19 V 8.91 4.95 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 1.05 0.00 0.00 0.95 0.00 0.00 20 A 8.80 4.97 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.05 5.09 0.00 1.80 1.65 1.11 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 22 A 9.01 5.01 1.19 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 0.00 0.00 0.00 23 G 7.88 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.38 4.85 0.00 2.86 2.40 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 25 P 0.00 4.07 0.00 1.91 1.91 0.00 2.24 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.86 0.00 26 N 8.63 4.18 0.00 2.89 2.90 0.00 0.00 6.77 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 27 V 7.72 4.26 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 0.80 0.00 0.00 0.96 0.00 0.00 28 G 8.21 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 0.00 0.00 0.00 29 K 8.08 3.96 0.00 1.81 1.79 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.55 7.81 30 T 7.82 3.89 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 31 S 8.10 4.14 0.00 4.01 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 32 L 8.00 4.18 0.00 1.85 1.84 0.87 0.49 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 33 F 8.46 4.04 0.00 3.16 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 34 N 8.73 4.34 0.00 2.93 2.87 0.00 0.00 6.97 7.14 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 35 A 7.88 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 36 L 7.68 3.63 0.00 1.30 0.97 0.83 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.73 4.28 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 38 G 8.25 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.51 4.20 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 1.23 0.00 0.00 40 K 7.95 4.39 0.00 1.91 1.99 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.42 7.81 41 Q 7.43 5.14 0.00 2.46 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 42 Y 8.42 4.99 0.00 3.04 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 43 V 8.47 4.66 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 0.71 0.00 0.00 0.95 0.00 0.00 44 A 8.60 4.64 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 45 N 8.52 5.19 0.00 2.62 2.96 0.00 0.00 6.80 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 46 W 9.31 4.18 0.00 3.26 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 47 P 0.00 4.38 0.00 2.16 2.10 0.00 4.23 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 48 G 9.09 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.53 4.55 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 0.74 0.00 0.00 1.12 0.00 0.00 50 T 8.32 4.26 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 1.23 0.00 0.00 51 V 7.58 3.87 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 0.96 0.00 0.00 0.94 0.00 0.00 52 E 8.97 4.57 0.00 2.03 1.84 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 2.22 2.25 0.00 53 K 9.54 4.43 0.00 0.79 1.11 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.25 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.62 0.40 7.81 54 K 8.19 4.64 0.00 1.07 0.86 0.00 1.55 0.00 0.00 1.48 0.00 0.00 2.56 0.00 0.00 2.19 0.00 0.00 0.00 0.00 1.26 1.19 7.81 55 E 8.22 5.13 0.00 1.62 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 56 G 8.96 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.40 5.22 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 0.82 0.00 0.00 0.98 0.00 0.00 58 F 8.72 5.15 0.00 3.16 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 59 T 8.71 5.15 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 1.35 0.00 0.00 60 Y 9.19 4.63 0.00 3.21 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 61 K 9.61 3.71 0.00 1.71 1.77 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.64 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.99 0.22 7.81 62 G 8.45 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 0.00 0.00 0.00 63 Y 8.11 4.71 0.00 3.17 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 64 T 9.15 4.83 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 1.19 0.00 0.00 65 I 8.61 4.61 0.56 0.00 0.00 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 0.89 0.55 0.64 0.00 0.00 66 N 9.11 4.99 0.00 2.79 2.73 0.00 0.00 6.31 6.33 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 67 L 8.80 5.06 0.00 1.96 1.61 1.12 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.71 4.68 1.82 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.22 0.95 0.00 0.00 69 D 8.43 4.87 0.00 1.93 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 0.00 0.00 0.00 0.00 70 L 8.53 4.59 0.00 1.64 1.48 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.28 0.00 2.01 1.89 0.00 3.39 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.89 0.00 72 G 8.33 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.49 4.54 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 1.16 0.00 0.00 74 Y 8.70 4.20 0.00 3.27 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 75 S 7.31 4.70 0.00 3.53 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 76 L 8.98 3.98 0.00 1.58 1.65 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.72 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 78 Y 7.04 4.72 0.00 3.10 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 79 S 8.44 4.60 0.00 3.98 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 80 S 7.39 4.42 0.00 4.06 4.08 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 0.00 0.00 0.00 0.00 81 I 8.15 3.69 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.39 0.89 0.00 0.00 82 D 7.71 4.22 0.00 2.74 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.23 4.03 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.44 0.00 84 K 7.89 3.97 0.00 1.79 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.36 7.81 85 I 7.80 3.57 1.53 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.66 -0.76 0.00 0.00 86 A 7.53 3.81 1.21 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 0.00 0.00 87 R 8.25 3.77 0.00 2.00 1.92 0.00 3.09 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 88 D 8.24 4.33 0.00 2.75 2.71 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 89 Y 7.79 4.01 0.00 3.01 3.11 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 90 L 7.95 4.11 0.00 1.80 1.69 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.91 4.17 0.00 1.73 1.69 0.90 1.05 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 92 K 7.74 4.18 0.00 1.66 1.75 0.00 1.82 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.34 7.81 93 G 7.78 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 0.00 0.00 0.00 94 D 7.45 4.28 0.00 2.53 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.45 4.26 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.96 4.69 0.00 2.67 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 97 L 7.49 4.40 0.00 1.54 1.51 1.01 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.52 4.83 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 1.06 0.00 0.00 0.93 0.00 0.00 99 I 8.83 4.73 1.91 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 1.16 0.64 0.92 0.00 0.00 100 L 8.95 4.75 0.00 1.63 1.52 0.89 0.67 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 0.00 101 V 8.74 4.54 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 0.81 0.00 0.00 0.93 0.00 0.00 102 A 8.86 4.84 1.13 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 0.00 103 D 8.59 4.62 0.00 2.83 2.57 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 0.00 104 S 8.60 4.23 0.00 3.91 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 0.00 105 V 8.08 3.78 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 0.77 0.00 0.00 0.95 0.00 0.00 106 N 7.63 4.99 0.00 2.92 2.71 0.00 0.00 7.12 7.90 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 0.00 107 P 0.00 4.62 0.00 2.27 2.29 0.00 3.91 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.89 0.00 108 E 8.24 3.94 0.00 2.07 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 0.00 2.43 2.46 0.00 109 Q 8.12 4.15 0.00 2.29 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.69 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 110 S 8.06 4.20 0.00 4.01 3.90 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 0.00 0.00 0.00 111 L 8.36 4.03 0.00 1.84 1.73 0.94 0.96 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 0.00 112 Y 8.24 3.96 0.00 3.05 3.17 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 0.00 113 L 8.05 3.77 0.00 1.86 1.81 0.86 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.19 3.84 0.00 1.79 1.85 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.29 3.88 0.00 1.46 1.58 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 116 E 7.54 3.95 0.00 1.92 1.84 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 2.08 1.67 0.00 117 I 7.91 3.69 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.74 0.87 0.00 0.00 118 L 7.81 4.26 0.00 1.71 1.70 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 119 E 7.65 4.05 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 120 M 7.67 4.28 0.00 1.95 2.06 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 2.48 2.46 0.00 121 E 8.30 4.45 0.00 1.92 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.34 0.00 122 K 8.60 3.94 0.00 1.74 1.83 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.43 7.81 123 K 8.87 3.70 0.00 1.43 0.76 0.00 1.55 0.00 0.00 1.38 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.13 1.20 7.81 124 V 7.80 4.83 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 0.85 0.00 0.00 0.90 0.00 0.00 125 I 8.75 4.75 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.66 4.07 0.00 2.26 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.67 0.00 148 K 7.99 3.99 0.00 1.90 1.71 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.32 7.81 149 H 8.26 4.49 0.00 3.45 3.36 0.00 5.70 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.86 4.55 0.00 1.72 1.72 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 151 G 8.15 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 152 I 7.30 4.78 2.19 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 1.45 0.80 0.98 0.00 0.00 153 P 0.00 4.41 0.00 2.09 1.95 0.00 3.88 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 1.89 1.87 0.00 154 V 8.38 4.91 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 0.74 0.00 0.00 1.00 0.00 0.00 155 V 8.86 4.59 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 1.03 0.00 0.00 0.94 0.00 0.00 156 F 9.07 4.88 0.00 3.03 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 0.00 157 T 8.84 5.11 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 158 S 8.95 4.47 0.00 3.88 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 0.00 159 S 8.94 4.10 0.00 3.92 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 0.00 160 V 7.91 3.58 2.08 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 0.81 0.00 0.00 0.93 0.00 0.00 161 T 7.64 4.20 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 162 G 8.41 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 0.00 0.00 0.00 163 E 7.93 4.02 0.00 2.04 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 2.35 2.29 0.00 164 G 8.85 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 0.00 0.00 0.00 0.00 165 L 7.76 3.91 0.00 1.65 1.58 0.82 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 166 E 8.04 3.88 0.00 1.99 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 0.00 2.41 2.39 0.00 167 E 8.19 3.92 0.00 2.09 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 0.00 2.41 2.40 0.00 168 L 7.97 3.89 0.00 1.82 1.77 0.91 0.65 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 0.00 169 K 7.83 3.81 0.00 0.82 0.74 0.00 1.25 0.00 0.00 1.55 0.00 0.00 2.65 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.23 1.36 7.81 170 E 8.10 4.07 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 171 K 8.23 3.92 0.00 1.93 1.77 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.60 1.58 7.81 172 I 7.79 3.76 2.02 0.00 0.00 1.00 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 0.81 0.90 0.00 0.00 173 V 7.64 3.18 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 0.68 0.00 0.00 0.99 0.00 0.00 174 E 7.73 3.90 0.00 1.98 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 2.28 2.42 0.00 175 Y 7.63 4.43 0.00 3.11 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 0.00 176 A 8.00 4.14 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 0.00 177 Q 7.71 4.32 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.49 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 * Residues marked with a * may have inaccurate shift predictions.