Spreadsheet: 360b81cc-0428-4c74-b0cb-62b39d355145
Sheet: Sheet1

Table S4. Experimental (GC-MS) and calculated mass distributions in the amino acid derivatives of Mycobacterium bovis BCG (BCG) and Mycobacterium tuberculosis (MTB) growing in a steady state chemostat | Unnamed: 1 | Unnamed: 2 | Unnamed: 3 | Unnamed: 4 | Unnamed: 5 | Unnamed: 6 | Unnamed: 7 | Unnamed: 8 | Unnamed: 9 | Unnamed: 10 | Unnamed: 11
Analyte (m/z) |  | 80% [12C], 20% [U-13C] glycerol |  |  |  |  |  |  |  | 0.15% [13C] CO2 | 0.15% [13C] CO2
 |  | µ = 0.01 h-1 (td = 69 h) |  |  |  |  |  | µ = 0.03 h-1 (td = 23 h) |  | µ = 0.01 h-1 (td = 69 h) | µ = 0.03 h-1 (td = 23 h)
 |  | Experimental BCG | Calculated BCG (solution 1) | Calculated BCG (solution 2) | Experimental MTB | Calculated MTB (solution 1) | Calculated MTB (solution 2) | Experimental BCG | Calculated BCG (solution 1) | Experimental MTB | Experimental MTB
ALA260 | m+0 | 0.796 ± 0.016 | 0.7995904500000001 | 0.8014774100000001 | 0.778 ± 0.004 | 0.8132192 | 0.8137937 | 0.806 ± 0.016 | 0.8286468 | 0.991 ± 0.003 | 0.980 ± 0.020
 | m+1 | 0.040 ± 0.002 | 0.03846917 | 0.03859439 | 0.048 ± 0.003 | 0.0329991 | 0.0326096 | 0.023 ± 0.002 | 0.02827854 | 0.002 ± 0.002 | 0.015 ± 0.001
 | [NAME] | 0.030 ± 0.001 | 0.0132083 | 0.0132539 | 0.031 ± 0.003 | 0.008132399999999998 | 0.007230299999999999 | 0.023 ± 0.002 | 0.004292199999999999 | 0.006 ± 0.002 | 0.004 ± 0.001
 | m+3 | 0.134 ± 0.007 | 0.1487321 | 0.1466743 | 0.144 ± 0.003 | 0.14564934 | 0.14636641 | 0.149 ± 0.003 | 0.13878244 | 0.0004 ± 0.006 | 0.000 ± 0.000
ALA232 | m+0 | 0.799 ± 0.016 | 0.8120520999999999 | 0.8140292 | 0.791 ± 0.004 | 0.8241708000000001 | 0.8243775000000001 | 0.802 ± 0.016 | 0.83807296 | 0.982 ± 0.006 | 0.982 ± 0.020
 | m+1 | 0.058 ± 0.004 | 0.0351619 | 0.0351712 | 0.057 ± 0.006 | 0.0275104 | 0.0271586 | 0.038 ± 0.006 | 0.02171385 | 0.007  ± 0.004 | 0.007 ± 0.004
 | [NAME] | 0.143 ± 0.005 | 0.15278591 | 0.1507996 | 0.153 ± 0.003 | 0.14831881 | 0.14846389 | 0.160 ± 0.004 | 0.14021319 | 0.011  ± 0.001 | 0.011 ± 0.001
ASP418 | m+0 | 0.784 ± 0.131 | 0.66426657 | 0.6614557000000001 | 0.708 ± 0.011 | 0.6740349 | 0.6695182000000001 | 0.678 ± 0.014 | 0.7124147 | 0.983  ± 0.013 | 0.907 ± 0.018
 | m+1 | 0.130 ± 0.034 | 0.1281783 | 0.1290103 | 0.144 ± 0.006 | 0.14092548 | 0.1471678 | 0.142 ± 0.005 | 0.1572054 | 0.007  ± 0.007 | 0.082 ± 0.014
 | [NAME] | 0.066 ± 0.025 | 0.1281159 | 0.1277575 | 0.109 ± 0.005 | 0.10988685 | 0.10609591 | 0.110 ± 0.004 | 0.06683209999999999 | 0.006  ± 0.005 | 0.007 ± 0.001
 | m+3 | 0.023 ± 0.009 | 0.06015562 | 0.06209526 | 0.031 ± 0.005 | 0.0593842 | 0.0618912 | 0.057 ± 0.001 | 0.05339972 | 0.002  ± 0.002 | 0.003 ± 0.001
 | m+4 | 0.016 ± 0.020 | 0.019283621 | 0.0196812544 | 0.009 ± 0.003 | 0.01576859 | 0.01532686 | 0.014 ± 0.001 | 0.01014804 | 0.002  ± 0.001 | 0.001 ± 0.000
ASP390 | m+0 | n.a. | 0.7085039000000001 | 0.7062507 | 0.729 ± 0.006 | 0.72079545 | 0.7100080999999999 | n.a. | 0.76353826 | n.a. | n.a.
 | m+1 | n.a. | 0.1480364 | 0.1481302 | 0.156 ± 0.004 | 0.14895128 | 0.156155171 | n.a. | 0.1390858 | n.a. | n.a.
 | [NAME] | n.a. | 0.09680449999999999 | 0.0976677 | 0.093 ± 0.006 | 0.08821817 | 0.1043483 | n.a. | 0.065345 | n.a. | n.a.
 | m+3 | n.a. | 0.0466553 | 0.0479515 | 0.023 ± 0.003 | 0.0420351 | 0.02948841 | n.a. | 0.03203098 | n.a. | n.a.
GLU432 | m+0 | 0.622 ± 0.043 | 0.58649745 | 0.57959461 | 0.647 ± 0.014 | 0.6069496999999999 | 0.6012776 | 0.616 ± 0.013 | 0.6341603 | 0.988 ± 0.012 | 0.977 ± 0.020
 | m+1 | 0.155 ± 0.024 | 0.15698285 | 0.15848115 | 0.178 ± 0.028 | 0.1578946 | 0.1514131 | 0.156 ± 0.006 | 0.2123258 | 0.005 ± 0.008 | 0.009 ± 0.008
 | [NAME] | 0.192 ± 0.029 | 0.1721047 | 0.1739447 | 0.1456 ± 0.021 | 0.1623707 | 0.1821439 | 0.154 ± 0.005 | 0.1051319 | 0.003 ± 0.003 | 0.013 ± 0.001
 | m+3 | 0.062 ± 0.006 | 0.062873389 | 0.06497595 | 0.038 ± 0.006 | 0.0561861 | 0.0474873 | 0.052 ± 0.003 | 0.0389375 | 0.003 ± 0.002 | 0.000 ± 0.020
 | m+4 | n.d. | 0.015812 | 0.0169588 | 0.011 ±0.002 | 0.011853193 | 0.01395853 | 0.015 ± 0.001 | 0.00808083 | 0.001 ± 0.001 | 0.001 ± 0.000
 | m+5 | n.d. | 0.00572957 | 0.00604484 | 0.004 ± 0.001 | 0.00474568 | 0.003719611 | 0.006 ± 0.002 | 0.00136372 | 0.001 ± 0.000 | 0.001 ± 0.000
GLU404 | m+0 | n.a. | 0.63458 | 0.629606 | 0.695 ± 0.007 | 0.6484228000000001 | 0.6505073 | n.a. | 0.7209934 | n.a. | n.a.
 | m+1 | n.a. | 0.162573 | 0.160666 | 0.169 ± 0.006 | 0.168206304 | 0.1559692 | n.a. | 0.15371403 | n.a. | n.a.
 | [NAME] | n.a. | 0.162272 | 0.165709 | 0.107 ± 0.002 | 0.1541939 | 0.1623282 | n.a. | 0.0970935 | n.a. | n.a.
 | m+3 | n.a. | 0.0294818 | 0.0319238 | 0.022 ± 0.002 | 0.02111726 | 0.022090871 | n.a. | 0.02278186 | n.a. | n.a.
 | m+4 | n.a. | 0.0110936 | 0.0120948 | 0.007 ± 0.002 | 0.008059789999999999 | 0.00910442 | n.a. | 0.00541723 | n.a. | n.a.
GLY246 | m+0 | 0.841 ± 0.017 | 0.8178281 | 0.8201946 | 0.83 ± 0.002 | 0.8265284799999999 | 0.8265833499999999 | 0.819 ± 0.016 | 0.8380730000000001 | 0.968  ± 0.004 | 0.953 ± 0.019
 | m+1 | 0.004 ± 0.006 | 0.02167242 | 0.02167742 | 0.004 ± 0.001 | 0.02180597 | 0.02199607 | 0.019 ± 0.001 | 0.02171385 | 0.028  ± 0.003 | 0.044 ± 0.001
 | [NAME] | 0.156 ± 0.007 | 0.16049946 | 0.15812798 | 0.166 ± 0.001 | 0.1516655 | 0.1514206 | 0.161 ± 0.003 | 0.1402132 | 0.004  ± 0.001 | 0.003 ± 0.001
GLY218 | m+0 | 0.827 ± 0.017 | 0.8286643109999999 | 0.8310332899999999 | 0.821 ± 0.002 | 0.8374312 | 0.8375801 | 0.831 ± 0.017 | 0.848929885 | 0.997 ± 0.003 | 0.997 ± 0.020
 | m+1 | 0.173 ± 0.006 | 0.171335689 | 0.16896671 | 0.179 ± 0.002 | 0.1625688 | 0.1624199 | 0.169 ± 0.003 | 0.151070115 | 0.003 ± 0.004 | 0.003 ± 0.004
HIS440 | m+0 | 0.577 ± 0.075 | 0.5866993 | 0.5910011000000001 | 0.510 ± 0.016 | 0.602752 | 0.590962 | 0.537 ± 0.012 | 0.646024 | 0.987 ±  0.008 | 0.974 ± 0.019
 | m+1 | 0.183 ± 0.035 | 0.18678815 | 0.18605164 | 0.181 ± 0.010 | 0.183805 | 0.20726 | 0.177 ± 0.008 | 0.1369237 | 0.004 ±  0.005 | 0.020 ± 0.013
 | [NAME] | 0.106 ± 0.024 | 0.0644198 | 0.0632742 | 0.116 ± 0.009 | 0.06039399999999995 | 0.04937800000000003 | 0.107 ± 0.009 | 0.0750117 | 0.006 ± 0.005 | 0.002 ± 0.003
 | m+3 | 0.098 ± 0.006 | 0.1181576 | 0.1168971 | 0.119 ± 0.010 | 0.113384 | 0.110751 | 0.111 ± 0.006 | 0.11110361 | 0.007 ±  0.001 | 0.004 ± 0.000
 | m+4 | 0.055 ± 0.015 | 0.0330978 | 0.0323377 | 0.046 ± 0.004 | 0.03024800000000005 | 0.034443 | 0.048 ± 0.006 | 0.0195907 | 0.002 ± 0.001 | 0.000 ± 0.020
 | m+5 | 0.018 ± 0.003 | 0.01083739 | 0.0104383 | 0.022 ± 0.006 | 0.00941599999999998 | 0.007206000000000046 | 0.019 ± 0.006 | 0.011346 | 0.000 ± 0.000 | 0.000 ± 0.020
HIS412 | m+0 | n.a. | 0.593375 | 0.597724 | 0.534 ± 0.035 | 0.609677 | 0.59788 | 0.522 ± 0.012 | 0.6533731 | 0.975  ± 0.012 | 0.975 ± 0.019
 | m+1 | n.a. | 0.184387 | 0.183567 | 0.193 ±0.016 | 0.181068 | 0.204819 | 0.192 ± 0.007 | 0.1331126 | 0.000  ± 0.000 | 0.000 ± 0.000
 | [NAME] | n.a. | 0.17671 | 0.174372 | 0.195 ± 0.010 | 0.168095 | 0.154346 | 0.187 ± 0.006 | 0.180838047 | 0.018  ± 0.009 | 0.018 ± 0.009
 | m+3 | n.a. | 0.0345785 | 0.0337906 | 0.081 ± 0.009 | 0.0316415 | 0.0356649 | 0.071 ± 0.007 | 0.0212133 | 0.021  ± 0.000 | 0.021 ± 0.000
 | m+4 | n.a. | 0.010949 | 0.0105459 | 0.033 ± 0.003 | 0.00951813 | 0.00728989 | 0.027 ± 0.005 | 0.011463 | 0.000 ± 0.000 | 0.000 ± 0.020
ILEU404 | m+0 | 0.645 ± 0.016 | 0.539419 | 0.538444 | 0.684 ± 0.002 | 0.55552 | 0.551936 | 0.655 ± 0.013 | 0.5970555 | 0.980  ± 0.006 | 0.911 ± 0.018
 | m+1 | 0.120 ± 0.006 | 0.12744435 | 0.1282823 | 0.107 ± 0.001 | 0.1346896 | 0.139505 | 0.112 ± 0.003 | 0.1472188 | 0.011  ± 0.007 | 0.080 ± 0.003
 | [NAME] | 0.158 ± 0.011 | 0.2100344 | 0.208283 | 0.155 ± 0.002 | 0.1944145 | 0.1908592 | 0.157 ± 0.003 | 0.15931368 | 0.005  ± 0.001 | 0.006 ± 0.000
 | m+3 | 0.049 ± 0.007 | 0.0729381 | 0.0744954 | 0.030 ± 0.002 | 0.0728676 | 0.07575219999999999 | 0.046 ± 0.003 | 0.0682463 | 0.003  ± 0.001 | 0.003 ± 0.000
 | m+4 | 0.022 ± 0.002 | 0.0373488 | 0.0374709 | 0.017 ± 0.001 | 0.030928 | 0.0300674 | 0.020 ± 0.001 | 0.01903506 | 0.0007  ± 0.000 | 0.000 ± 0.020
 | m+5 | 0.006 ± 0.002 | 0.00986898 | 0.01005615 | 0.004 ± 0.001 | 0.009241590000000001 | 0.00960486 | 0.007 ± 0.001 | 0.007707698000000001 | 0.000 ± 0.000 | 0.000 ± 0.020
 | m+6 | n.d. | 0.00294626546 | 0.0029679254 | 0.002 ± 0.001 | 0.002338778 | 0.002275486 | 0.002 ± 0.001 | 0.00142289 | 0.000 ± 0.000 | 0.000 ± 0.020
ILEU376 | m+0 | 0.578 ± 0.017 | 0.5753421 | 0.5749086999999999 | 0.620 ± 0.003 | 0.5940586 | 0.5853147 | 0.593 ± 0.012 | 0.6399007999999999 | 0.967  ±  0.004 | 0.967 ± 0.019
 | m+1 | 0.148 ± 0.006 | 0.1451256238 | 0.145421946 | 0.139 ± 0.003 | 0.14259065 | 0.14801364 | 0.135 ± 0.005 | 0.1331434 | 0.010  ±  0.003 | 0.010 ± 0.003
 | [NAME] | 0.189 ± 0.007 | 0.19206493 | 0.19121657 | 0.184 ±0.001 | 0.183712069 | 0.1956739 | 0.190 ± 0.004 | 0.164842099 | 0.020 ±  0.002 | 0.020 ± 0.002
 | m+3 | 0.054 ± 0.007 | 0.06390823 | 0.06480697 | 0.038 ± 0.001 | 0.0591633 | 0.0503269 | 0.052 ± 0.002 | 0.0477648 | 0.003  ±  0.001 | 0.003 ± 0.001
 | m+4 | 0.020 ± 0.002 | 0.01643085 | 0.01641476 | 0.015 ± 0.002 | 0.01424081 | 0.016292815 | 0.020 ± 0.001 | 0.00985775 | 0.001  ±  0.000 | 0.001 ± 0.001
 | m+5 | 0.017 ± 0.010 | 0.00712827 | 0.00723107 | 0.005 ± 0.001 | 0.0062346 | 0.004377964999999999 | 0.009 ± 0.001 | 0.004491169999999999 | 0.001  ±  0.000 | 0.001 ± 0.001
[NAME] | m+0 | 0.593 ± 0.022 | 0.5510501 | 0.5491593 | 0.611 ± 0.002 | 0.5728746 | 0.5755247 | 0.617 ± 0.012 | 0.6377123 | 0.996 ±  0.002 | 0.996 ± 0.020
 | m+1 | 0.056 ± 0.004 | 0.0696738 | 0.0699772 | 0.063 ± 0.001 | 0.06863747 | 0.05627098000000001 | 0.041 ± 0.003 | 0.04839675 | 0.000 ±  0.000 | 0.000 ± 0.020
 | [NAME] | 0.263 ± 0.013 | 0.296718 | 0.2973972 | 0.257 ± 0.002 | 0.2846315 | 0.2948518 | 0.272 ± 0.006 | 0.26391013 | 0.002 ± 0.001 | 0.003 ± 0.001
 | m+3 | 0.027 ± 0.006 | 0.02476499 | 0.02503798 | 0.021 ± 0.002 | 0.02298973 | 0.01910683 | 0.015 ± 0.002 | 0.01323044 | 0.001 ± 0.001 | 0.001 ± 0.000
 | m+4 | 0.053 ± 0.006 | 0.052548397 | 0.053077651 | 0.042 ± 0.001 | 0.04648014 | 0.04985302 | 0.048 ± 0.002 | 0.0345133 | 0.001 ± 0.000 | 0.001 ± 0.000
 | m+5 | 0.004 ± 0.001 | 0.00218531 | 0.00222905 | 0.003 ± 0.001 | 0.00190824 | 0.00161236 | 0.003 ± 0.001 | 0.0008571200000000001 | 0.000 ± 0.000 | 0.000 ± 0.020
 | m+6 | 0.004 ± 0.001 | 0.003059440000000001 | 0.0031216 | 0.003 ± 0.001 | 0.00247835 | 0.002780275 | 0.004 ± 0.001 | 0.00138001 | 0.000 ± 0.000 | 0.000 ± 0.020
LEU274 | m+0 | n.a. | 0.56298044 | 0.5610229400000001 | 0.595 ± 0.003 | 0.5824045 | 0.58504943 | 0.595 ± 0.012 | 0.6459735999999999 | 0.982 ±  0.004 | 0.982 ± 0.020
 | m+1 | n.a. | 0.1624142 | 0.160845 | 0.114 ± 0.002 | 0.1626514 | 0.1510112 | 0.110 ± 0.004 | 0.1472403 | 0.000 ± 0.002 | 0.001 ± 0.002
 | [NAME] | n.a. | 0.2048033 | 0.2074175 | 0.224 ± 0.002 | 0.1930208 | 0.2004503 | 0.224 ± 0.004 | 0.1641639 | 0.001 ± 0.002 | 0.014 ± 0.002
 | m+3 | n.a. | 0.04812605 | 0.04833824 | 0.037 ± 0.001 | 0.04363077999999999 | 0.04355791 | 0.041 ± 0.002 | 0.03208668 | 0.001 ± 0.000 | 0.001 ± 0.000
 | m+4 | n.a. | 0.01826455 | 0.01889072 | 0.026 ± 0.001 | 0.0155844 | 0.01689781 | 0.026 ± 0.001 | 0.0090486 | 0.001 ± 0.000 | 0.001 ± 0.000
 | m+5 | n.a. | 0.00341149 | 0.00348562 | 0.004 ± 0.001 | 0.0027081 | 0.003033378 | 0.005 ± 0.001 | 0.00148687 | 0.000 ± 0.000 | 0.001 ± 0.000
LYS431 | m+0 | 0.641 ± 0.152 | 0.5596374000000001 | 0.5590894 | 0.592 ± 0.016 | 0.58578335 | 0.5738230000000001 | 0.493 ± 0.047 | 0.60299 | 0.781 ± 0.017 | 0.907 ± 0.018
 | m+1 | 0.160 ± 0.016 | 0.1410106 | 0.1415207 | 0.157 ± 0.015 | 0.14478836 | 0.14858182 | 0.245 ± 0.028 | 0.1454918 | 0.204 ± 0.011 | 0.084 ± 0.003
 | [NAME] | 0.100 ± 0.028 | 0.12229403 | 0.12231546 | 0.138 ± 0.011 | 0.08391020000000002 | 0.1098619 | 0.146 ± 0.012 | 0.1430065 | 0.017 ± 0.816 | 0.008 ± 0.012
 | m+3 | 0.102 ± 0.011 | 0.1292218 | 0.1292939 | 0.088 ± 0.013 | 0.1424132 | 0.1237321 | 0.116 ± 0.009 | 0.0793514 | 0.009  ±  0.007 | 0.000 ± 0.020
 | m+4 | n.d. | 0.0282017 | 0.0280467 | 0.027 ± 0.008 | 0.023887911 | 0.02541698 | n.d. | 0.0192771 | 0.000 ± 0.000 | 0.000 ± 0.020
 | m+5 | n.d. | 0.0137085 | 0.013725 | 0.011 ± 0.002 | 0.01314162 | 0.0145819 | n.d. | 0.00795717 | 0.000 ± 0.000 | 0.000 ± 0.020
 | m+6 | n.d. | 0.00592588 | 0.00600886 | n.d. | 0.0060753 | 0.00400233 | n.d. | 0.00192605 | 0.000 ± 0.000 | 0.000 ± 0.020
LYS403 | m+0 | n.a. | 0.569191 | 0.568651 | 0.644 ± 0.009 | 0.5936944000000001 | 0.5815866000000001 | n.a. | 0.610635 | n.a. | n.a.
 | m+1 | n.a. | 0.164002 | 0.163878 | 0.131 ± 0.009 | 0.1436451 | 0.160894 | n.a. | 0.223112 | n.a. | n.a.
 | [NAME] | n.a. | 0.175839 | 0.17528 | 0.184 ± 0.009 | 0.182855963 | 0.182922498 | n.a. | 0.0945284 | n.a. | n.a.
 | m+3 | n.a. | 0.0658937 | 0.0669096 | 0.042 ± 0.006 | 0.0592679 | 0.0532062 | n.a. | 0.0541533 | n.a. | n.a.
 | m+4 | n.a. | 0.0189216 | 0.0190375 | n.d. | 0.0143478 | 0.0173041 | n.a. | 0.0155461 | n.a. | n.a.
 | m+5 | n.a. | 0.00615298 | 0.00624404 | n.d. | 0.00618881 | 0.00408652 | n.a. | 0.00202554 | n.a. | n.a.
MET320 | m+0 | n.a. | 0.664268 | 0.661456 | 0.591 ± 0.005 | 0.6740349999999999 | 0.6695180000000001 | 0.558 ± 0.026 | 0.712415 | 0.955 ± 0.019 | 0.843 ± 0.017
 | m+1 | n.a. | 0.128178 | 0.12901 | 0.239 ± 0.003 | 0.140925 | 0.147168 | 0.226 ± 0.011 | 0.1572054 | 0.031  ± 0.019 | 0.147 ± 0.011
 | [NAME] | n.a. | 0.128115 | 0.127758 | 0.108 ± 0.003 | 0.109887 | 0.106096 | 0.116 ± 0.005 | 0.0668321 | 0.012  ± 0.005 | 0.010 ± 0.001
 | m+3 | n.a. | 0.0601555 | 0.062095 | 0.045 ± 0.003 | 0.05938399999999999 | 0.06189100000000003 | 0.075 ± 0.006 | 0.05339969999999999 | 0.008  ± 0.003 | 0.000 ± 0.020
 | m+4 | n.a. | 0.0192834 | 0.0196813 | 0.015 ± 0.003 | 0.01576900000000003 | 0.01532699999999998 | 0.024 ± 0.003 | 0.010148 | 0.000 ± 0.000 | 0.000 ± 0.020
ORN417 | m+0 | 0.662 ± 0.042 | 0.5864955 | 0.5795946 | 0.673 ± 0.005 | 0.6069497 | 0.6012776000000001 | 0.614 ± 0.013 | 0.63416 | 0.958 ± 0.009 | 0.909 ± 0.018
 | m+1 | 0.180 ± 0.031 | 0.15698358 | 0.15848115 | 0.167 ± 0.005 | 0.15789455 | 0.1514131 | 0.178 ± 0.008 | 0.212326 | 0.029 ±  0.008 | 0.085 ± 0.002
 | [NAME] | 0.154 ± 0.020 | 0.1721052 | 0.1739447 | 0.124 ± 0.005 | 0.1623707 | 0.1821439 | 0.154 ± 0.007 | 0.105132 | 0.012 ±  0.003 | 0.007 ± 0.008
 | m+3 | 0.051 ± 0.009 | 0.06287380000000001 | 0.0649759 | 0.029 ± 0.002 | 0.0561861 | 0.0474873 | 0.049 ± 0.008 | 0.0389377 | 0.005 ± 0.001 | 0.000 ± 0.020
 | m+4 | 0.014 ± 0.003 | 0.015812278 | 0.01695879 | 0.009 ± 0.001 | 0.01185319 | 0.01395853 | n.d. | 0.00808089 | 0.000 ± 0.000 | 0.000 ± 0.020
 | m+5 | n.d. | 0.00572957 | 0.00604484 | n.d. | 0.00474568 | 0.00371961 | n.d. | 0.00136373 | 0.000 ± 0.000 | 0.000 ± 0.020
ORN389 | m+0 | n.a. | 0.63458 | 0.629606 | 0.685 ± 0.024 | 0.6484228 | 0.6505073 | n.a. | 0.720993 | n.a. | n.a.
 | m+1 | n.a. | 0.162573 | 0.160666 | 0.154 ± 0.005 | 0.1682063 | 0.15596918 | n.a. | 0.1537139 | n.a. | n.a.
 | [NAME] | n.a. | 0.162272 | 0.165709 | 0.118 ± 0.025 | 0.1541939 | 0.1623282 | n.a. | 0.09709380000000001 | n.a. | n.a.
 | m+3 | n.a. | 0.0294818 | 0.0319238 | 0.021 ± 0.001 | 0.021117255 | 0.02209087 | n.a. | 0.022782 | n.a. | n.a.
 | m+4 | n.a. | 0.0110936 | 0.0120948 | 0.023 ± 0.001 | 0.0080598 | 0.0091044 | n.a. | 0.00541728 | n.a. | n.a.
PHE336 | m+0 | 0.500 ± 0.116 | 0.443139 | 0.4482743 | 0.435 ± 0.004 | 0.4584794 | 0.459251 | 0.465 ± 0.014 | 0.4885315 | 0.988 ± 0.007 | 0.962 ± 0.019
 | m+1 | 0.121 ± 0.014 | 0.1336124 | 0.133588 | 0.136 ± 0.002 | 0.13873157 | 0.13826947 | 0.113 ± 0.004 | 0.1329368 | 0.002 ± 0.003 | 0.027 ± 0.003
 | [NAME] | 0.101 ± 0.009 | 0.10235061 | 0.10173653 | 0.108 ± 0.001 | 0.10125243 | 0.10084755 | 0.104 ± 0.002 | 0.09641327999999999 | 0.007 ± 0.005 | 0.008 ± 0.003
 | m+3 | 0.168 ± 0.017 | 0.1997593 | 0.1981979 | 0.188 ± 0.002 | 0.19091717 | 0.19117945 | 0.191 ± 0.004 | 0.18523674 | 0.002 ± 0.002 | 0.003 ± 0.000
 | m+4 | 0.048 ± 0.006 | 0.04903345000000001 | 0.04808033 | 0.056 ± 0.003 | 0.04685552 | 0.04666917 | 0.049 ± 0.003 | 0.04095326000000001 | 0.001± 0.000 | 0.000 ± 0.020
 | m+5 | 0.040 ± 0.005 | 0.037848788 | 0.036948607 | 0.040 ± 0.002 | 0.03409908 | 0.03407537 | 0.040 ± 0.002 | 0.0303181 | 0.000 ± 0.000 | 0.000 ± 0.020
 | m+6 | 0.026 ± 0.004 | 0.0256245972 | 0.02489756 | 0.028 ± 0.002 | 0.02238078 | 0.02243011 | 0.029 ± 0.002 | 0.01971539 | 0.000 ± 0.000 | 0.000 ± 0.020
 | m+7 | n.d. | 0.00444472 | 0.00427297 | 0.006 ± 0.002 | 0.00389747 | 0.0038794 | 0.009 ± 0.003 | 0.00310595 | 0.000 ± 0.000 | 0.000 ± 0.020
 | m+8 | n.d. | 0.00349317 | 0.00334931 | 0.004 ± 0.001 | 0.00285941 | 0.00286906 | n.d. | 0.00238102 | 0.000 ± 0.000 | 0.000 ± 0.020
 | m+9 | n.d. | 0.000694001 | 0.00065451 | 0.000 ± 0.001 | 0.00052715 | 0.000529404 | n.d. | 0.000407978 | 0.000 ± 0.000 | 0.000 ± 0.020
PHE308 | m+0 | 0.561 ± 0.217 | 0.44817983 | 0.45337371 | 0.442 ± 0.004 | 0.4646556 | 0.4651883 | 0.467 ± 0.009 | 0.4940887 | 0.975  ± 0.006 | 0.975 ± 0.020
 | m+1 | 0.128 ± 0.013 | 0.1317144 | 0.1316182 | 0.136 ± 0.002 | 0.137251 | 0.13672518 | 0.114 ± 0.003 | 0.1303892 | 0.001  ±  0.002 | 0.001 ± 0.002
 | [NAME] | 0.188 ± 0.012 | 0.18783351 | 0.18667387 | 0.181 ± 0.003 | 0.18077645 | 0.18106797 | 0.184 ± 0.004 | 0.17664768 | 0.02  ±  0.004 | 0.021 ± 0.004
 | m+3 | 0.132 ± 0.010 | 0.13603577 | 0.13456408 | 0.132 ± 0.001 | 0.13022655 | 0.13008085 | 0.130 ± 0.003 | 0.1229101 | 0.002  ± 0.001 | 0.002 ± 0.001
 | m+4 | 0.055 ± 0.006 | 0.04359994 | 0.04265407 | 0.052 ± 0.001 | 0.04073736 | 0.0406312 | 0.049 ± 0.002 | 0.0356398 | 0.001  ± 0.000 | 0.001 ± 0.000
 | m+5 | n.d. | 0.04002654 | 0.03901369 | 0.043 ± 0.002 | 0.03563144 | 0.03561258 | 0.046 ± 0.002 | 0.0316415 | 0.001  ± 0.001 | 0.000 ± 0.020
 | m+6 | n.d. | 0.00830664 | 0.00798705 | 0.011 ± 0.001 | 0.00720346 | 0.00717627 | 0.012 ± 0.002 | 0.00581421 | 0.001  ± 0.002 | 0.000 ± 0.020
 | m+7 | n.d. | 0.00360218 | 0.00345404 | 0.007 ± 0.001 | 0.00298133 | 0.00298076 | n.d. | 0.00245665 | 0.001  ± 0.003 | 0.000 ± 0.020
 | m+8 | n.d. | 0.000701155 | 0.000661258 | n.d. | 0.000536801 | 0.000536888 | n.d. | 0.000412184 | 0.001  ± 0.004 | 0.000 ± 0.020
PRO286 | m+0 | 0.601 ± 0.027 | 0.5864955000000001 | 0.5795946 | 0.623 ± 0.053 | 0.6069496999999999 | 0.6018205999999999 | n.a. | 0.63416 | n.a. | n.a.
 | m+1 | 0.125 ± 0.007 | 0.1569836 | 0.1584811 | 0.130 ±0.011 | 0.1578946 | 0.1512069 | n.a. | 0.212326 | n.a. | n.a.
 | [NAME] | 0.124 ± 0.010 | 0.1721052 | 0.1739447 | 0.107 ± 0.008 | 0.1623707 | 0.1818959 | n.a. | 0.105132 | n.a. | n.a.
 | m+3 | 0.108 ± 0.027 | 0.06287380000000001 | 0.0649759 | 0.100 ± 0.049 | 0.0561861 | 0.0474226 | n.a. | 0.0389377 | n.a. | n.a.
 | m+4 | 0.027 ± 0.006 | 0.0158123 | 0.01695879 | 0.026 ±0.013 | 0.0118532 | 0.0139395 | n.a. | 0.00808089 | n.a. | n.a.
 | m+5 | 0.015 ± 0.005 | 0.005729600000000001 | 0.006044800000000001 | 0.014 ±0.008 | 0.00474568 | 0.003714499999999999 | n.a. | 0.00136373 | n.a. | n.a.
PRO258 | m+0 | 0.643 ± 0.014 | 0.6345782400000001 | 0.6296062 | 0.709 ± 0.003 | 0.6484228 | 0.6509832 | n.a. | 0.720993 | 0.989 ± 0.00217 | n.a.
 | m+1 | 0.165 ± 0.005 | 0.16257292 | 0.16066638 | 0.170 ± 0.003 | 0.1682063 | 0.1557568 | n.a. | 0.153714 | 0.000 ± 0.000 | n.a.
 | [NAME] | 0.151 ± 0.005 | 0.1622728 | 0.1657094 | 0.099 ± 0.001 | 0.1541939 | 0.1621072 | n.a. | 0.0970938 | 0.009 ± 0.002 | n.a.
 | m+3 | 0.028 ± 0.003 | 0.029482254 | 0.03192326 | 0.018 ± 0.001 | 0.02111726 | 0.02206079 | n.a. | 0.022782 | 0.002 ± 0.000 | n.a.
 | m+4 | 0.014 ± 0.005 | 0.0110938 | 0.01209474 | 0.005 ± 0.001 | 0.00805979 | 0.00909202 | n.a. | 0.00541728 | 0.000 ± 0.000 | n.a.
SER390 | m+0 | 0.759 ± 0.098 | 0.7433887 | 0.7474788800000001 | 0.717 ± 0.008 | 0.6939067 | 0.7405777 | 0.739 ± 0.015 | 0.7693665000000001 | 0.986 ± 0.012 | 0.961 ± 0.019
 | m+1 | 0.082 ± 0.019 | 0.0926254 | 0.0909634 | 0.101 ± 0.005 | 0.1509289 | 0.10463625 | 0.080 ± 0.005 | 0.08735762999999999 | 0.007 ± 0.007 | 0.032 ± 0.011
 | [NAME] | 0.078 ± 0.015 | 0.07095693 | 0.0693298 | 0.084 ± 0.004 | 0.1308287 | 0.0843552165 | 0.080 ± 0.002 | 0.0645444 | 0.003 ± 0.004 | 0.005 ± 0.001
 | m+3 | 0.091 ± 0.004 | 0.09302896 | 0.09222795 | 0.098 ± 0.003 | 0.0243357 | 0.07043089999999999 | 0.101 ± 0.002 | 0.07873150000000001 | 0.004 ± 0.003 | 0.003 ± 0.000
SER362 | m+0 | 0.760 ± 0.057 | 0.7524817 | 0.7566028 | 0.718 ± 0.004 | 0.70306 | 0.7498997000000001 | 0.746 ± 0.015 | 0.7786919999999999 | 0.977 ± 0.004 | 0.977 ± 0.020
 | m+1 | 0.146 ± 0.019 | 0.15274613 | 0.14945441 | 0.167 ± 0.004 | 0.270855 | 0.1779787 | 0.131 ± 0.005 | 0.141045147 | 0  ±  0 | 0.000 ± 0.020
 | [NAME] | 0.114 ± 0.014 | 0.0947722 | 0.0939428 | 0.115 ± 0.003 | 0.0260852 | 0.07212160000000001 | 0.123 ± 0.002 | 0.08026280000000001 | 0.030 ±  0.004 | 0.023 ± 0.004
THR404 | m+0 | 0.666 ± 0.023 | 0.66426657 | 0.661455748 | 0.718 ± 0.009 | 0.6740349 | 0.6695182000000001 | 0.681 ± 0.016 | 0.7124147 | 0.973 ± 0.017 | 0.951 ± 0.019
 | m+1 | 0.147 ± 0.012 | 0.1281783 | 0.1290103 | 0.1367 ± 0.006 | 0.14092548 | 0.1471678 | 0.136 ± 0.006 | 0.1572054 | 0.010 ± 0.012 | 0.001 ± 0.003
 | [NAME] | 0.121 ± 0.011 | 0.1281159 | 0.1277575 | 0.103 ± 0.003 | 0.10988685 | 0.10609591 | 0.108 ± 0.010 | 0.0668321 | 0.011± 0.009 | 0.042 ± 0.007
 | m+3 | 0.054 ± 0.009 | 0.06015562 | 0.06209526 | 0.033 ± 0.002 | 0.0593842 | 0.0618912 | 0.059 ± 0.006 | 0.05339972 | 0.006 ± 0.003 | 0.006 ± 0.008
 | m+4 | 0.012 ± 0.008 | 0.019283621 | 0.019681254 | 0.009 ± 0.001 | 0.01576859 | 0.01532686 | 0.017 ± 0.005 | 0.01014804 | 0.002 ± 0.001 | 0.000 ± 0.020
THR376 | m+0 | 0.721 ± 0.052 | 0.7085039 | 0.7062507 | 0.743 ± 0.009 | 0.7207954000000001 | 0.7100081 | 0.708 ± 0.014 | 0.7635383 | 0.951 ± 0.001 | 0.892 ± 0.018
 | m+1 | 0.151 ± 0.021 | 0.14803636 | 0.14813015 | 0.148 ± 0.005 | 0.148951281 | 0.15615517 | 0.133 ± 0.012 | 0.1390858 | 0.001 ±  0.003 | 0.094 ± 0.002
 | [NAME] | 0.129 ± 0.025 | 0.09680449999999999 | 0.0976677 | 0.085 ±0.001 | 0.08821817000000001 | 0.1043483 | 0.117 ± 0.008 | 0.065345 | 0.042 ±  0.007 | 0.010 ± 0.001
 | m+3 | 0.042 ± 0.008 | 0.04665529 | 0.04795149 | 0.024 ± 0.005 | 0.0420351 | 0.02948841 | 0.041 ± 0.011 | 0.032031 | 0.006 ± 0.008 | 0.004 ± 0.003
TYR466 | m+0 | 0.575 ± 0.141 | 0.443139 | 0.4482743 | 0.430 ±0.007 | 0.4587343 | 0.4592513 | 0.475 ± 0.010 | 0.4885315 | 0.975 ± 0.011 | n.a.
 | m+1 | 0.126 ± 0.031 | 0.1336124 | 0.133588 | 0.126 ± 0.003 | 0.1386663 | 0.1382694 | 0.116 ± 0.007 | 0.1329368 | 0.006 ± 0.007 | n.a.
 | [NAME] | 0.121 ± 0.010 | 0.1023506 | 0.1017365 | 0.120 ±0.006 | 0.1012048 | 0.1008475 | 0.131 ± 0.005 | 0.0964133 | 0.017 ± 0.006 | n.a.
 | m+3 | 0.121 ± 0.011 | 0.1997593 | 0.1981979 | 0.182 ± 0.007 | 0.1908273 | 0.1911794 | 0.178 ± 0.013 | 0.1852367 | 0.006 ± 0.001 | n.a.
 | m+4 | 0.039 ± 0.015 | 0.0490335 | 0.0480803 | 0.059 ±0.006 | 0.0468335 | 0.04666910000000001 | 0.057 ± 0.009 | 0.0409533 | 0.000 ±  0.000 | n.a.
 | m+5 | 0.022 ± 0.008 | 0.03784879 | 0.03694861 | 0.046 ± 0.005 | 0.034083 | 0.0340753 | 0.042 ± 0.007 | 0.0303181 | 0.000 ±  0.000 | n.a.
 | m+6 | 0.001 ± 0.010 | 0.0256246 | 0.0248976 | 0.001± 0.000 | 0.022370282 | 0.022430082 | n.d. | 0.0197154 | 0.000 ±  0.000 | n.a.
 | m+7 | n.d. | 0.00444472 | 0.00427297 | 0.000 ± 0.000 | 0.003895636 | 0.003879396 | n.d. | 0.00310595 | 0.000 ±  0.000 | n.a.
 | m+8 | n.d. | 0.00349317 | 0.00334931 | n.d. | 0.00285807 | 0.00286906 | n.d. | 0.00238102 | 0.000 ±  0.000 | n.a.
 | m+9 | n.d. | 0.000694001 | 0.00065451 | n.d. | 0.000526902 | 0.000529403 | n.d. | 0.000407978 | 0.000 ±  0.000 | n.a.
TYR438 | m+0 | n.a. | 0.448182 | 0.453374 | 0.443 ±0.010 | 0.4649076 | 0.4651886 | 0.496 ± 0.012 | 0.494088 | 0.965 ± 0.008 | n.a.
 | m+1 | n.a. | 0.131714 | 0.131618 | 0.142 ±0.005 | 0.13718639 | 0.13672505 | 0.121 ± 0.008 | 0.130389 | 0.002 ± 0.003 | n.a.
 | [NAME] | n.a. | 0.187833 | 0.186674 | 0.186 ±0.005 | 0.18069136 | 0.18106796 | 0.193 ± 0.008 | 0.176648 | 0.031 ± 0.009 | n.a.
 | m+3 | n.a. | 0.136035 | 0.134564 | 0.140 ±0.006 | 0.13016525 | 0.13008079 | 0.138 ± 0.005 | 0.12291 | 0.007 ± 0.003 | n.a.
 | m+4 | n.a. | 0.0435996 | 0.0426541 | 0.059 ±0.004 | 0.0407182 | 0.0406311 | 0.052 ± 0.004 | 0.0356399 | 0.000 ±  0.000 | n.a.
 | m+5 | n.a. | 0.0400262 | 0.0390137 | 0.046 ±0.003 | 0.0356147 | 0.03561259999999999 | n.d. | 0.0316416 | 0.000 ±  0.000 | n.a.
 | m+6 | n.a. | 0.00830652 | 0.00798706 | n.d. | 0.00720007 | 0.00717626 | n.d. | 0.00581424 | 0.000 ±  0.000 | n.a.
 | m+7 | n.a. | 0.00360212 | 0.00345405 | n.d. | 0.00297993 | 0.00298076 | n.d. | 0.00245667 | 0.000 ±  0.000 | n.a.
 | m+8 | n.a. | 0.000701141 | 0.000661259 | n.d. | 0.000536548 | 0.000536887 | n.d. | 0.000412187 | 0.000 ±  0.000 | n.a.
VAL288 | m+0 | 0.661 ± 0.017 | 0.6493091000000001 | 0.6524260000000001 | 0.652 ± 0.001 | 0.6702315999999999 | 0.6708732 | 0.675 ± 0.013 | 0.6944665 | 0.997  ± 0.001 | 0.981 ± 0.020
 | m+1 | 0.042 ± 0.005 | 0.05935409999999999 | 0.0596059 | 0.056 ±0.001 | 0.04956882 | 0.04898413 | 0.032 ± 0.002 | 0.04169259 | 0.000  ± 0.000 | 0.012 ± 0.003
 | [NAME] | 0.132 ± 0.007 | 0.13424463 | 0.13300898 | 0.137 ±0.001 | 0.128226 | 0.12766509 | 0.135 ± 0.003 | 0.1203985 | 0.002  ± 0.008 | 0.005 ± 0.001
 | m+3 | 0.122 ± 0.007 | 0.12712018 | 0.12568331 | 0.122 ±0.001 | 0.12515804 | 0.12569889 | 0.125 ± 0.002 | 0.12036804 | 0.001  ± 0.066 | 0.001 ± 0.000
 | m+4 | 0.016 ± 0.002 | 0.007247749999999999 | 0.0071574 | 0.010 ±0.001 | 0.005213049999999999 | 0.005048539999999999 | 0.008 ± 0.001 | 0.00361533 | 0.001  ± 0.0003 | 0.001 ± 0.000
 | m+5 | 0.027 ± 0.002 | 0.02272417 | 0.02211842 | 0.024 ±0.001 | 0.02160254 | 0.02173013 | 0.026 ± 0.001 | 0.01945913 | 0.000 ±  0.000 | 0.000 ± 0.020
VAL260 | m+0 | 0.648 ± 0.016 | 0.65942869 | 0.6626436 | 0.652 ±0.001 | 0.6792576 | 0.6795983 | 0.661 ± 0.013 | 0.7023663 | 0.972  ± 0.004 | 0.972 ± 0.019
 | m+1 | 0.042 ± 0.003 | 0.0571067 | 0.0572607 | 0.057 ±0.001 | 0.0453465 | 0.0447779 | 0.037 ± 0.002 | 0.0363956 | 0.002 ± 0.004 | 0.002 ± 0.004
 | [NAME] | 0.251 ± 0.010 | 0.249376608 | 0.24674758 | 0.246 ±0.001 | 0.245236888 | 0.245518171 | 0.258 ± 0.005 | 0.2354893 | 0.002 ±  0.002 | 0.019 ± 0.002
 | m+3 | 0.028 ± 0.017 | 0.0107445 | 0.0106076 | 0.018 ±0.001 | 0.008160610000000002 | 0.00806415 | 0.016 ± 0.006 | 0.0060891 | 0.006 ± 0.004 | 0.006 ± 0.004
 | m+4 | 0.031 ± 0.002 | 0.02334353 | 0.02274052 | 0.027 ±0.001 | 0.02199847 | 0.02204153 | 0.029 ± 0.001 | 0.01965974 | 0.000 ±  0.000 | 0.001 ± 0.000