NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.6930 8.0232 122.2798 50.9402 20.6428 176.2175 3 P 4.2525 0.0000 0.0000 61.4211 31.9751 175.0959 4 K 4.1829 8.8960 125.8606 59.5649 33.8792 176.9884 5 A 4.6955 7.7688 120.6168 50.8156 22.8543 175.2253 6 V 4.5996 8.9588 124.0044 61.6364 33.3349 174.5428 7 L 5.1491 9.1382 128.8485 53.5322 43.5829 176.1929 8 V 4.6541 8.6145 116.3688 59.4133 35.7907 174.9422 9 G 3.9150 7.5456 109.1804 46.3036 0.0000 172.4451 10 L 4.7117 7.7788 119.7969 52.5255 43.0045 174.9028 11 P 4.5179 0.0000 0.0000 64.6427 31.4422 177.1336 12 G 4.0872 9.0871 111.7692 45.3347 0.0000 174.3815 13 S 4.1851 7.9321 113.3831 59.0581 63.5633 175.1447 14 G 3.8388 8.1999 109.2236 46.5862 0.0000 175.1886 15 K 3.7840 7.8262 121.8203 59.6298 32.0080 178.6076 16 S 4.1050 7.9911 114.4312 61.9052 62.8858 176.4538 17 T 3.8534 7.8569 115.2366 65.1474 67.0405 176.0123 18 I 3.8089 8.1461 122.1652 64.3122 37.1748 178.5630 19 G 3.6486 8.4040 106.8830 47.8472 0.0000 175.9180 20 R 3.9387 8.0038 120.5096 59.2082 30.1048 179.4727 21 R 3.9490 8.0462 117.7770 59.0535 30.0091 178.9990 22 L 3.9296 8.3427 120.3864 57.9926 42.1388 178.8280 23 A 4.0100 8.0891 120.8146 54.9082 18.3969 179.5613 24 K 3.8504 8.2401 117.8742 59.7265 32.1501 178.8809 25 A 4.0228 7.9527 119.7115 55.1422 18.3606 179.0930 26 L 4.1702 8.0586 115.8092 54.6594 42.8152 176.9798 27 G 3.9336 7.8178 106.6595 46.6796 0.0000 172.4932 28 V 4.5773 7.8492 109.4315 58.9670 36.7295 177.4691 29 G 3.8677 8.6021 108.5883 46.3219 0.0000 172.2086 30 L 5.2689 8.4745 123.9138 52.8492 44.3601 175.0907 31 L 4.6157 8.8577 128.4826 53.2278 44.8714 174.2040 32 D 5.3197 8.5248 126.4184 52.7260 42.5954 176.9811 33 T 3.8988 8.8099 118.0768 64.8876 68.7607 176.3946 34 D 4.4174 8.4545 121.8339 57.2864 40.9332 178.7464 35 V 3.6088 8.0072 118.0215 66.0292 31.6175 177.6596 36 A 4.1639 8.3879 120.8426 55.1698 18.1375 179.6949 37 I 3.6467 8.0406 118.4257 64.6669 37.1698 178.3809 38 E 4.5020 7.9883 120.2096 59.1845 29.0803 179.5894 39 Q 4.0642 8.1190 116.8882 58.4626 28.8142 178.0225 40 R 4.1744 7.9404 119.1999 58.0970 30.3185 177.4314 41 T 4.4518 7.9331 108.1784 60.7857 70.0818 175.6030 42 G 3.9301 8.4374 108.4850 45.6761 0.0000 173.0501 43 R 4.7477 7.7102 117.3993 53.3895 33.6912 175.5378 44 S 4.8093 8.3255 115.3545 57.9794 65.4458 175.4131 45 I 3.8466 8.5474 124.4267 64.7416 36.9089 178.6935 46 A 4.0132 8.0049 121.0004 55.3277 18.1515 179.2934 47 D 4.3798 8.3455 117.3925 57.5011 40.8284 179.0883 48 I 3.7637 7.9901 120.3720 64.3254 37.0130 178.4510 49 F 3.7814 8.7115 118.8141 60.3553 38.5383 177.4821 50 A 4.0754 8.4813 119.4472 55.4986 18.3416 179.3008 51 T 4.1570 7.9939 106.4925 63.6849 69.4732 175.3502 52 D 4.6161 8.4914 119.3076 53.3059 42.8371 177.6229 53 G 4.0049 7.7384 104.0998 45.2319 0.0000 174.0407 54 E 3.0233 8.5511 119.1470 58.9539 29.5278 178.8181 55 Q 3.9098 7.9334 118.9894 59.2599 29.0926 177.7711 56 E 3.8911 8.0364 119.8123 59.0600 29.7259 178.2597 57 F 3.9988 7.9619 120.7542 61.4170 39.4022 177.3015 58 R 3.9148 8.3566 117.9944 59.1110 29.6681 178.9700 59 R 3.8168 7.8834 118.5365 59.4016 30.0692 178.7667 60 I 3.5584 7.3290 119.1825 64.2789 37.0352 177.6664 61 E 3.6465 7.8871 120.5505 59.5036 29.3226 178.6651 62 E 3.8800 8.1584 118.9165 59.1712 29.6486 178.2745 63 D 4.3265 7.7620 118.8813 57.5326 40.9338 179.2130 64 V 3.5288 7.7100 118.4325 65.8682 31.5912 178.2133 65 V 3.5488 8.1877 118.3778 65.9861 31.2824 178.0447 66 R 3.8543 8.5883 117.8705 59.2581 29.8757 178.6649 67 A 4.0608 7.9173 120.1151 55.4359 18.4218 179.6743 68 A 3.9462 8.1565 118.9091 55.1291 17.8769 179.8490 69 L 3.9176 7.9982 117.4750 57.4239 41.3515 179.2991 70 A 4.1743 7.4337 118.5472 54.7045 19.0533 178.8442 71 D 4.5066 8.2214 116.3856 55.6286 41.3999 176.5892 72 H 4.7122 7.8287 119.0278 55.2206 30.6363 174.1473 73 D 4.8468 7.9958 125.1039 53.0997 41.5095 177.5739 74 G 4.0525 7.1301 108.6633 46.2783 0.0000 174.0673 75 V 4.6927 8.8666 125.3419 61.8808 33.2318 174.6343 76 L 4.9927 9.0945 130.6116 53.4233 44.4695 174.6839 77 S 4.9298 9.1008 122.3917 56.6614 63.8916 172.3540 78 L 4.7254 8.4892 130.6820 53.6648 42.9717 176.6359 79 G 3.9162 9.2141 114.2595 46.6099 0.0000 174.8857 80 G 3.9624 9.1874 111.8873 47.4207 0.0000 174.4678 81 G 4.0358 8.1527 106.6657 44.9252 0.0000 174.6905 82 A 4.3150 8.2102 124.1569 54.7028 18.3165 180.2877 83 V 3.9039 7.7205 105.8227 62.9862 31.7004 177.1816 84 T 3.9982 7.7790 110.1667 63.1568 69.3324 174.8756 85 S 4.4913 7.9253 120.2819 56.9527 63.4694 173.0634 86 P 4.3409 0.0000 0.0000 65.6843 31.1131 178.9038 87 G 3.9241 7.9987 105.2574 47.0374 0.0000 175.8695 88 V 3.6101 7.6875 120.5235 65.9819 31.3965 178.2079 89 R 3.8822 8.0110 115.8769 59.2417 29.9937 178.2970 90 A 4.1244 8.2072 120.2368 55.3244 18.2030 179.6539 91 A 3.9921 7.8286 117.7935 55.0895 18.7320 179.6016 92 L 4.1554 8.3480 117.6748 56.3452 41.5060 177.4576 93 A 4.2357 7.1103 122.5660 53.4979 18.4993 177.3332 94 G 4.0140 9.0339 111.1481 45.7487 0.0000 173.4686 95 H 4.5722 7.8379 116.4211 54.9409 30.1825 174.6932 96 T 4.3515 8.2597 117.5761 62.9698 69.7614 174.3460 97 V 4.7155 9.0719 127.6811 61.1561 34.4361 174.3630 98 V 4.6987 8.9258 129.8423 61.6956 33.2625 173.8916 99 Y 5.0171 9.2888 130.8705 56.3023 40.0892 174.7695 100 L 4.5341 9.0414 129.1033 54.0620 41.3465 175.0748 101 E 3.9548 8.9785 125.9313 54.3082 30.9362 174.6786 102 I 5.1665 8.0869 119.6898 58.8518 41.1696 175.3531 103 S 4.4311 9.2129 117.9997 57.5927 64.2592 175.2715 104 A 4.0121 8.6635 123.2033 55.4613 18.0629 180.0127 105 A 4.0528 8.0302 118.7361 55.1976 18.4430 179.2155 106 E 4.0528 8.2396 117.9109 58.8604 29.6135 179.2679 107 G 3.8776 8.1340 107.4307 47.1928 0.0000 175.8091 108 V 3.5419 8.6050 121.6045 65.7659 31.3419 177.7704 109 R 3.8490 7.9295 116.9902 59.8163 29.8622 178.1769 110 R 4.1438 7.9527 116.7239 58.2246 30.4931 177.9548 111 T 4.3805 8.1352 108.0749 60.1745 69.8531 175.5958 112 G 3.8214 8.8394 108.7336 46.1070 0.0000 174.6432 113 G 3.6720 7.8485 105.6589 45.0673 0.0000 173.6418 114 N 4.6850 7.8779 118.3636 52.2135 38.3344 175.0165 115 T 4.6419 8.1622 110.6733 61.2187 71.1862 174.8865 116 V 4.9266 7.1190 121.0029 61.3670 31.8543 174.0774 *119 L 4.2015 7.7468 122.6892 54.2257 44.7648 176.7574 120 L 4.7179 7.4859 116.8871 52.9338 42.2490 174.0612 121 A 4.8503 7.6343 122.3103 50.6441 22.6764 175.3449 122 G 3.8734 8.5606 104.8667 43.8489 0.0000 172.5870 123 P 4.3352 0.0000 0.0000 64.9700 31.5426 176.6785 124 D 4.9156 7.9004 118.7948 54.2293 41.3913 178.4824 125 R 3.9211 7.7953 119.5839 59.1528 29.3250 178.2211 126 A 4.0136 7.9743 121.0195 55.1017 18.4980 178.9682 127 E 3.9296 8.2026 117.1821 59.5195 29.6887 179.0283 128 K 4.0256 8.3751 118.6333 59.4673 31.9202 178.8039 129 Y 4.0755 8.1611 119.9714 60.6046 38.7118 177.7898 130 R 3.8141 8.1802 118.8427 59.2228 30.2242 178.8157 131 A 3.9145 8.0441 120.2790 55.0101 18.4208 179.0785 132 L 3.7931 7.9023 118.9310 58.7632 42.0946 178.8935 133 M 3.8667 8.1373 117.8805 58.6516 31.8818 178.0515 134 A 3.9911 7.8618 119.8784 54.8812 18.5542 179.5554 135 K 4.0222 7.8351 116.3850 59.5788 32.4735 179.3862 136 R 3.7970 7.9871 117.8174 58.4001 30.0859 178.6981 137 A 4.1873 7.9965 120.6585 54.9183 18.3178 177.9035 138 P 4.1916 0.0000 0.0000 65.5923 31.3861 178.8344 139 L 3.8523 7.6117 117.3159 57.8382 41.4109 178.8365 140 Y 3.9887 7.5585 116.9250 61.1125 37.4487 178.8206 141 R 4.1539 7.8125 117.6090 59.4063 30.2985 178.5040 142 R 4.0417 7.9073 117.1410 59.7226 30.1917 178.4307 143 V 3.9281 7.5502 108.5604 61.3551 32.2834 176.6959 144 A 4.3734 7.4145 122.2762 52.6195 18.7348 177.1319 145 T 4.6275 8.8179 110.1139 61.6296 71.2266 174.0102 146 M 4.7901 7.9748 122.1293 53.8395 35.5698 173.6530 147 R 4.9627 8.8030 124.9920 54.5203 32.5094 175.6398 148 V 4.1238 8.6496 124.6223 60.6259 33.8686 174.1761 149 D 4.6274 8.7701 128.5574 55.2566 40.3855 175.6055 150 T 4.3861 8.9811 117.0331 61.2286 69.6236 176.2940 151 N 4.2951 8.0349 120.4766 56.4985 38.5625 176.1532 152 R 4.5915 7.9069 112.4924 55.5805 30.9083 175.3908 153 R 4.6316 7.3909 116.0427 53.9123 32.6768 176.2712 154 N 4.6556 8.3970 119.6622 51.7204 39.6325 174.3594 155 P 4.3112 0.0000 0.0000 65.8198 31.3637 179.0310 156 G 3.6189 8.1897 103.5078 47.7661 0.0000 175.1482 157 A 4.0064 8.4745 123.7896 54.8905 18.3740 179.8027 158 V 3.4980 8.0513 116.9243 66.2147 31.5996 178.4024 159 V 3.5965 8.0554 118.1049 66.1293 31.4167 178.2350 160 R 3.9494 8.1685 117.8677 59.2490 29.6250 178.3390 161 H 4.0267 8.2899 117.5540 59.4645 30.1617 176.8417 162 I 3.8649 7.9123 121.3768 64.6349 37.0899 178.4872 163 L 4.0352 8.0312 119.8389 57.6589 41.2179 179.5636 164 S 4.3126 7.9660 112.8869 60.2273 62.9414 175.6502 165 R 4.6040 7.6011 120.0376 55.4452 30.7864 175.7189 166 L 4.8752 7.6182 117.9655 54.3731 42.7692 176.7777 167 Q 4.3972 8.0370 116.1869 55.0268 30.1885 175.8077 168 V 4.3915 7.8724 119.3605 60.1488 33.9507 173.9180 169 P 4.4527 0.0000 0.0000 62.7781 31.9523 176.4547 170 S 4.3632 8.4107 113.5401 58.5433 63.0733 174.0044 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 2 A 8.02 4.69 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 3 P 0.00 4.25 0.00 2.16 2.14 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.26 0.00 4 K 8.90 4.18 0.00 1.75 1.97 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.46 7.81 5 A 7.77 4.70 1.23 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 0.00 0.00 0.00 6 V 8.96 4.60 2.18 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 1.01 0.00 0.00 0.92 0.00 0.00 7 L 9.14 5.15 0.00 1.59 1.56 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.61 4.65 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 0.75 0.00 0.00 0.80 0.00 0.00 9 G 7.55 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 10 L 7.78 4.71 0.00 1.85 1.74 1.17 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.52 0.00 2.34 2.10 0.00 3.84 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 12 G 9.09 4.09 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 0.00 0.00 0.00 13 S 7.93 4.19 0.00 4.12 4.09 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 14 G 8.20 3.84 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 0.00 0.00 0.00 15 K 7.83 3.78 0.00 1.83 1.84 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 16 S 7.99 4.11 0.00 3.91 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 17 T 7.86 3.85 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 1.28 0.00 0.00 18 I 8.15 3.81 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.81 0.91 0.00 0.00 19 G 8.40 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 20 R 8.00 3.94 0.00 2.04 1.99 0.00 3.14 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 1.66 1.68 0.00 21 R 8.05 3.95 0.00 1.87 1.98 0.00 3.12 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 22 L 8.34 3.93 0.00 1.79 1.87 0.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.09 4.01 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.24 3.85 0.00 1.96 2.01 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 25 A 7.95 4.02 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 26 L 8.06 4.17 0.00 1.72 1.73 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.82 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 28 V 7.85 4.58 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 0.75 0.00 0.00 0.94 0.00 0.00 29 G 8.60 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 30 L 8.47 5.27 0.00 1.64 1.56 1.05 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.86 4.62 0.00 1.20 1.19 0.80 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.52 5.32 0.00 2.75 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.81 3.90 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 1.25 0.00 0.00 34 D 8.45 4.42 0.00 2.96 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 35 V 8.01 3.61 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 1.06 0.00 0.00 0.95 0.00 0.00 36 A 8.39 4.16 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 8.04 3.65 2.10 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.62 0.95 0.00 0.00 38 E 7.99 4.50 0.00 2.23 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 2.62 2.49 0.00 39 Q 8.12 4.06 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 40 R 7.94 4.17 0.00 1.93 2.11 0.00 3.37 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 41 T 7.93 4.45 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 1.27 0.00 0.00 42 G 8.44 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 43 R 7.71 4.75 0.00 1.93 1.83 0.00 3.14 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 44 S 8.33 4.81 0.00 4.07 4.01 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 45 I 8.55 3.85 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.81 0.70 0.00 0.00 46 A 8.00 4.01 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 47 D 8.35 4.38 0.00 2.96 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 48 I 7.99 3.76 2.19 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.86 1.03 0.00 0.00 49 F 8.71 3.78 0.00 3.23 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 50 A 8.48 4.08 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 51 T 7.99 4.16 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 1.27 0.00 0.00 52 D 8.49 4.62 0.00 2.83 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 53 G 7.74 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 54 E 8.55 3.02 0.00 2.13 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 2.42 2.44 0.00 55 Q 7.93 3.91 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 56 E 8.04 3.89 0.00 2.08 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 2.35 2.40 0.00 57 F 7.96 4.00 0.00 2.75 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 58 R 8.36 3.91 0.00 1.99 1.95 0.00 3.44 0.00 0.00 3.40 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.83 0.00 59 R 7.88 3.82 0.00 1.84 2.00 0.00 3.06 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 60 I 7.33 3.56 1.72 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 1.33 0.67 0.81 0.00 0.00 61 E 7.89 3.65 0.00 1.22 1.80 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 2.23 2.24 0.00 62 E 8.16 3.88 0.00 2.03 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 2.27 2.32 0.00 63 D 7.76 4.33 0.00 2.82 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 64 V 7.71 3.53 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 0.96 0.00 0.00 0.91 0.00 0.00 65 V 8.19 3.55 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.93 0.00 0.00 66 R 8.59 3.85 0.00 2.03 1.96 0.00 3.17 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 67 A 7.92 4.06 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 68 A 8.16 3.95 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 69 L 8.00 3.92 0.00 1.87 1.67 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.43 4.17 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 71 D 8.22 4.51 0.00 2.73 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 72 H 7.83 4.71 0.00 3.08 3.37 0.00 5.93 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.00 4.85 0.00 2.52 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 74 G 7.13 4.05 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 0.00 0.00 0.00 75 V 8.87 4.69 2.12 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 1.04 0.00 0.00 0.98 0.00 0.00 76 L 9.09 4.99 0.00 1.81 1.51 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 77 S 9.10 4.93 0.00 3.91 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 78 L 8.49 4.73 0.00 1.79 1.59 0.93 1.00 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 79 G 9.21 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 0.00 0.00 0.00 80 G 9.19 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 81 G 8.15 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.21 4.32 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.72 3.90 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 0.84 0.00 0.00 0.63 0.00 0.00 84 T 7.78 4.00 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 85 S 7.93 4.49 0.00 4.08 3.82 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 0.00 0.00 0.00 0.00 86 P 0.00 4.34 0.00 2.14 2.09 0.00 3.59 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 87 G 8.00 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 0.00 0.00 0.00 88 V 7.69 3.61 2.36 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 1.13 0.00 0.00 0.91 0.00 0.00 89 R 8.01 3.88 0.00 1.96 1.98 0.00 3.24 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.91 0.00 90 A 8.21 4.12 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.83 3.99 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 92 L 8.35 4.16 0.00 1.86 1.76 0.94 0.95 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 93 A 7.11 4.24 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 94 G 9.03 4.01 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 0.00 0.00 0.00 95 H 7.84 4.57 0.00 3.37 3.27 0.00 5.65 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.26 4.35 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 97 V 9.07 4.72 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 0.88 0.00 0.00 0.97 0.00 0.00 98 V 8.93 4.70 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.96 0.00 0.00 99 Y 9.29 5.02 0.00 2.93 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 0.00 100 L 9.04 4.53 0.00 1.52 1.59 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.98 3.95 0.00 1.16 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.64 0.00 102 I 8.09 5.17 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.90 0.92 0.00 0.00 103 S 9.21 4.43 0.00 4.03 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 0.00 104 A 8.66 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.03 4.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.24 4.05 0.00 2.14 2.16 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 2.46 2.38 0.00 107 G 8.13 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 0.00 108 V 8.60 3.54 2.16 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 1.09 0.00 0.00 1.19 0.00 0.00 109 R 7.93 3.85 0.00 2.00 2.16 0.00 3.30 0.00 0.00 3.31 7.56 0.00 0.00 0.00 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0.00 2.03 1.88 0.00 1.72 0.00 0.00 1.58 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.46 7.81 129 Y 8.16 4.08 0.00 3.15 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 0.00 130 R 8.18 3.81 0.00 2.08 1.97 0.00 3.22 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 131 A 8.04 3.91 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 0.00 132 L 7.90 3.79 0.00 1.85 1.74 0.92 0.76 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 0.00 133 M 8.14 3.87 0.00 2.01 1.57 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 134 A 7.86 3.99 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 0.00 135 K 7.84 4.02 0.00 1.82 1.81 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.59 7.81 136 R 7.99 3.80 0.00 1.69 1.30 0.00 3.29 0.00 0.00 2.98 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 137 A 8.00 4.19 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 P 0.00 4.19 0.00 2.12 2.09 0.00 3.55 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 2.15 2.17 0.00 139 L 7.61 3.85 0.00 1.46 1.50 0.82 0.83 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 0.00 140 Y 7.56 3.99 0.00 2.02 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 0.00 141 R 7.81 4.15 0.00 2.01 2.09 0.00 3.28 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 142 R 7.91 4.04 0.00 1.87 2.18 0.00 3.22 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 143 V 7.55 3.93 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 0.77 0.00 0.00 1.02 0.00 0.00 144 A 7.41 4.37 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.82 4.63 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 1.28 0.00 0.00 146 M 7.97 4.79 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 147 R 8.80 4.96 0.00 1.74 1.93 0.00 3.33 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 148 V 8.65 4.12 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 0.73 0.00 0.00 0.98 0.00 0.00 149 D 8.77 4.63 0.00 2.60 2.53 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 0.00 0.00 0.00 0.00 150 T 8.98 4.39 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 1.22 0.00 0.00 151 N 8.03 4.30 0.00 2.85 2.93 0.00 0.00 6.74 8.63 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 0.00 152 R 7.91 4.59 0.00 1.74 1.88 0.00 3.30 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 153 R 7.39 4.63 0.00 1.76 1.77 0.00 3.10 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.47 0.00 154 N 8.40 4.66 0.00 2.98 2.94 0.00 0.00 6.23 7.76 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 0.00 155 P 0.00 4.31 0.00 2.17 2.15 0.00 3.60 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 2.11 2.16 0.00 156 G 8.19 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 0.00 157 A 8.47 4.01 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 0.00 158 V 8.05 3.50 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 0.98 0.00 0.00 0.92 0.00 0.00 159 V 8.06 3.60 2.21 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 0.98 0.00 0.00 0.98 0.00 0.00 160 R 8.17 3.95 0.00 2.04 1.97 0.00 3.19 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 161 H 8.29 4.03 0.00 3.17 3.56 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 I 7.91 3.86 2.02 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 1.56 0.68 0.93 0.00 0.00 163 L 8.03 4.04 0.00 1.83 1.71 0.92 0.51 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 0.00 164 S 7.97 4.31 0.00 4.02 4.07 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 0.00 165 R 7.60 4.60 0.00 1.87 1.93 0.00 3.08 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 1.48 1.63 0.00 166 L 7.62 4.88 0.00 1.60 1.60 0.93 0.81 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 0.00 167 Q 8.04 4.40 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 168 V 7.87 4.39 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 0.84 0.00 0.00 0.93 0.00 0.00 169 P 0.00 4.45 0.00 2.08 1.97 0.00 3.68 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 2.02 2.07 0.00 170 S 8.41 4.36 0.00 3.94 3.80 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 * Residues marked with a * may have inaccurate shift predictions.