REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1j0i_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRKEAIYHRP ADNFAYAYDS ETLHLRLRTK KDDIDRVELL HGDPYDWQNG DATA SEQUENCE AWQFQMMPMR KTGSDELFDY WFAEVKPPYR RLRYGFVLYS GEEKLVYTEK DATA SEQUENCE GFYFEVPTDD TAYYFCFPFL HRVDLFEAPD WVKDTVWYQI FPERFANGNP DATA SEQUENCE SISPEGSRPW GSEDPTPTSF FGGDLQGIID HLDYLVDLGI TGIYLTPIFR DATA SEQUENCE SPSNHKYDTA DYFEVDPHFG DKETLKTLID RCHEKGIRVM LDAVFNHCGY DATA SEQUENCE EFAPFQDVWK NGESSKYKDW FHIHEFPLQT EPRPNYDTFA FVPQMPKLNT DATA SEQUENCE ANPEVKRYLL DVATYWIREF DIDGWRLDVA NEIDHEFWRE FRQEVKALKP DATA SEQUENCE DVYILGEIWH DAMPWLRGDQ FDAVMNYPFT DGVLRFFAKE EISARQFANQ DATA SEQUENCE MMHVLHSYPN NVNEAAFNLL GSHDTSRILT VCGGDIRKVK LLFLFQLTFT DATA SEQUENCE GSPCIYYGDE IGMTGGNDPE CRKCMVWDPM QQNKELHQHV KQLIALRKQY DATA SEQUENCE RSLRRGEISF LHADDEMNYL IYKKTDGDET VLVIINRSDQ KADIPIPLDA DATA SEQUENCE RGTWLVNLLT GERFAAEAET LCTSLPPYGF VLYAIEHW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.244 176.300 -0.094 0.000 1.140 1 M CA 0.000 55.267 55.300 -0.055 0.000 0.988 1 M CB 0.000 32.556 32.600 -0.073 0.000 1.302 2 R N 4.167 124.626 120.500 -0.068 0.000 2.272 2 R HA 0.240 4.576 4.340 -0.007 0.000 0.334 2 R C 0.474 176.702 176.300 -0.120 0.000 1.117 2 R CA -0.126 55.930 56.100 -0.073 0.000 0.966 2 R CB 0.321 30.608 30.300 -0.021 0.000 1.049 2 R HN 0.755 nan 8.270 nan 0.000 0.477 3 K N 1.814 122.079 120.400 -0.224 0.000 2.148 3 K HA -0.134 4.182 4.320 -0.007 0.000 0.204 3 K C 1.345 177.889 176.600 -0.094 0.000 1.050 3 K CA 1.172 57.240 56.287 -0.365 0.000 0.942 3 K CB 0.332 32.442 32.500 -0.649 0.000 0.724 3 K HN 0.494 nan 8.250 nan 0.000 0.446 4 E N 0.666 120.847 120.200 -0.031 0.000 2.333 4 E HA -0.146 4.199 4.350 -0.007 0.000 0.198 4 E C 1.512 178.161 176.600 0.082 0.000 1.007 4 E CA 1.095 57.524 56.400 0.047 0.000 0.845 4 E CB -0.104 29.619 29.700 0.038 0.000 0.766 4 E HN 0.294 nan 8.360 nan 0.000 0.507 5 A N 1.142 124.009 122.820 0.078 0.000 2.169 5 A HA 0.221 4.536 4.320 -0.007 0.000 0.210 5 A C 1.365 178.989 177.584 0.068 0.000 1.168 5 A CA -0.305 51.828 52.037 0.161 0.000 0.813 5 A CB -0.021 19.108 19.000 0.213 0.000 0.861 5 A HN 0.098 nan 8.150 nan 0.000 0.481 6 I N -0.458 120.116 120.570 0.007 0.000 2.575 6 I HA 0.290 4.456 4.170 -0.007 0.000 0.285 6 I C -0.338 175.733 176.117 -0.076 0.000 1.085 6 I CA 0.149 61.385 61.300 -0.107 0.000 1.403 6 I CB 0.610 38.470 38.000 -0.233 0.000 1.409 6 I HN 0.349 nan 8.210 nan 0.000 0.557 7 Y N 5.242 125.374 120.300 -0.279 0.000 2.474 7 Y HA 0.464 5.010 4.550 -0.007 0.000 0.326 7 Y C -1.190 174.582 175.900 -0.214 0.000 1.160 7 Y CA -0.827 57.157 58.100 -0.193 0.000 1.056 7 Y CB 1.415 39.702 38.460 -0.288 0.000 1.330 7 Y HN 0.667 nan 8.280 nan 0.000 0.447 8 H N 4.010 122.463 119.070 -1.030 0.000 3.094 8 H HA 0.691 5.243 4.556 -0.007 0.000 0.346 8 H C -1.838 172.719 175.328 -1.285 0.000 1.238 8 H CA -0.792 54.581 56.048 -1.125 0.000 1.209 8 H CB 1.511 30.860 29.762 -0.689 0.000 1.911 8 H HN 0.785 nan 8.280 nan 0.000 0.540 9 R N 4.515 124.055 120.500 -1.600 0.000 2.542 9 R HA 0.277 4.612 4.340 -0.007 0.000 0.284 9 R C -3.026 172.954 176.300 -0.533 0.000 1.167 9 R CA -1.837 53.774 56.100 -0.815 0.000 1.000 9 R CB 1.603 31.617 30.300 -0.478 0.000 1.229 9 R HN 0.431 nan 8.270 nan 0.000 0.416 10 P HA 0.019 nan 4.420 nan 0.000 0.221 10 P C -1.188 176.238 177.300 0.209 0.000 1.287 10 P CA 0.772 63.991 63.100 0.198 0.000 1.317 10 P CB 0.277 32.175 31.700 0.331 0.000 1.721 11 A N 1.484 124.449 122.820 0.242 0.000 2.343 11 A HA 0.389 4.705 4.320 -0.007 0.000 0.296 11 A C -0.205 177.567 177.584 0.314 0.000 1.020 11 A CA -0.417 51.781 52.037 0.268 0.000 0.579 11 A CB 0.001 19.105 19.000 0.173 0.000 1.441 11 A HN 0.287 nan 8.150 nan 0.000 0.552 12 D N 0.044 120.596 120.400 0.253 0.000 4.078 12 D HA -0.305 4.330 4.640 -0.007 0.000 0.196 12 D C 1.011 177.434 176.300 0.205 0.000 0.717 12 D CA 2.296 56.418 54.000 0.203 0.000 0.950 12 D CB -0.756 40.162 40.800 0.197 0.000 0.423 12 D HN 1.010 nan 8.370 nan 0.000 0.373 13 N N 0.901 119.696 118.700 0.159 0.000 2.412 13 N HA -0.012 4.723 4.740 -0.007 0.000 0.184 13 N C 1.665 177.210 175.510 0.058 0.000 1.101 13 N CA 0.555 53.620 53.050 0.025 0.000 0.881 13 N CB -0.377 38.005 38.487 -0.175 0.000 0.969 13 N HN 0.352 nan 8.380 nan 0.000 0.459 14 F N 0.923 121.047 119.950 0.291 0.000 2.582 14 F HA 0.462 4.984 4.527 -0.008 0.000 0.290 14 F C 1.055 177.054 175.800 0.332 0.000 1.115 14 F CA 0.174 58.326 58.000 0.254 0.000 1.445 14 F CB 0.372 39.331 39.000 -0.070 0.000 1.126 14 F HN 0.078 nan 8.300 nan 0.000 0.574 15 A N -0.052 123.070 122.820 0.503 0.000 2.466 15 A HA 0.648 4.963 4.320 -0.007 0.000 0.284 15 A C -1.734 176.120 177.584 0.450 0.000 1.049 15 A CA -0.476 51.785 52.037 0.374 0.000 0.760 15 A CB 0.199 19.522 19.000 0.538 0.000 1.274 15 A HN 0.278 nan 8.150 nan 0.000 0.412 16 Y N -0.846 119.544 120.300 0.150 0.000 2.641 16 Y HA 0.772 5.318 4.550 -0.007 0.000 0.333 16 Y C -0.276 175.575 175.900 -0.082 0.000 1.174 16 Y CA -0.919 57.278 58.100 0.162 0.000 1.057 16 Y CB 0.801 39.370 38.460 0.183 0.000 1.322 16 Y HN 1.169 nan 8.280 nan 0.000 0.457 17 A N 1.761 124.665 122.820 0.140 0.000 2.362 17 A HA 0.363 4.679 4.320 -0.007 0.000 0.276 17 A C -0.379 177.295 177.584 0.149 0.000 1.153 17 A CA -0.329 51.708 52.037 0.000 0.000 0.813 17 A CB -0.117 18.960 19.000 0.129 0.000 1.081 17 A HN 0.970 nan 8.150 nan 0.000 0.507 18 Y N 2.264 122.450 120.300 -0.189 0.000 2.269 18 Y HA 0.116 4.662 4.550 -0.007 0.000 0.294 18 Y C 0.394 176.275 175.900 -0.031 0.000 1.120 18 Y CA 1.679 59.672 58.100 -0.178 0.000 1.159 18 Y CB 0.357 38.424 38.460 -0.656 0.000 1.024 18 Y HN 0.808 nan 8.280 nan 0.000 0.532 19 D N -2.884 117.485 120.400 -0.052 0.000 2.677 19 D HA 0.120 4.756 4.640 -0.007 0.000 0.298 19 D C 0.791 177.090 176.300 -0.002 0.000 1.250 19 D CA 0.116 54.077 54.000 -0.064 0.000 0.888 19 D CB 0.512 41.287 40.800 -0.041 0.000 1.397 19 D HN -0.041 nan 8.370 nan 0.000 0.461 20 S N -0.729 114.977 115.700 0.009 0.000 2.441 20 S HA -0.254 4.212 4.470 -0.007 0.000 0.242 20 S C 0.873 175.471 174.600 -0.003 0.000 1.018 20 S CA 1.623 59.838 58.200 0.024 0.000 0.988 20 S CB -0.617 62.603 63.200 0.033 0.000 0.778 20 S HN 0.677 nan 8.310 nan 0.000 0.498 21 E N -0.273 119.918 120.200 -0.015 0.000 2.641 21 E HA 0.178 4.524 4.350 -0.007 0.000 0.224 21 E C -0.564 175.999 176.600 -0.061 0.000 0.951 21 E CA -0.134 56.239 56.400 -0.046 0.000 1.102 21 E CB 0.247 29.926 29.700 -0.036 0.000 1.091 21 E HN 0.353 nan 8.360 nan 0.000 0.507 22 T N 2.147 116.674 114.554 -0.044 0.000 2.824 22 T HA 0.557 4.903 4.350 -0.007 0.000 0.282 22 T C -0.217 174.396 174.700 -0.146 0.000 0.993 22 T CA -0.497 61.569 62.100 -0.057 0.000 0.967 22 T CB 1.836 70.735 68.868 0.052 0.000 0.960 22 T HN 0.039 nan 8.240 nan 0.000 0.441 23 L N 2.867 123.950 121.223 -0.233 0.000 2.331 23 L HA 0.539 4.874 4.340 -0.007 0.000 0.275 23 L C 0.007 176.698 176.870 -0.298 0.000 1.022 23 L CA -0.938 53.654 54.840 -0.412 0.000 0.812 23 L CB 1.455 43.167 42.059 -0.578 0.000 1.257 23 L HN 0.643 nan 8.230 nan 0.000 0.435 24 H N 3.267 121.936 119.070 -0.670 0.000 2.524 24 H HA 0.651 5.203 4.556 -0.007 0.000 0.353 24 H C -1.042 173.907 175.328 -0.632 0.000 1.136 24 H CA -0.868 54.760 56.048 -0.701 0.000 1.193 24 H CB 2.394 31.700 29.762 -0.761 0.000 1.558 24 H HN 0.302 nan 8.280 nan 0.000 0.515 25 L N 3.140 124.126 121.223 -0.394 0.000 2.431 25 L HA 0.526 4.861 4.340 -0.007 0.000 0.266 25 L C -0.465 176.459 176.870 0.090 0.000 0.978 25 L CA -0.688 54.078 54.840 -0.124 0.000 0.822 25 L CB 2.511 44.395 42.059 -0.293 0.000 1.310 25 L HN 0.482 nan 8.230 nan 0.000 0.409 26 R N 2.041 122.777 120.500 0.394 0.000 2.854 26 R HA 0.823 5.159 4.340 -0.007 0.000 0.271 26 R C -1.610 175.043 176.300 0.587 0.000 0.996 26 R CA -1.055 55.335 56.100 0.485 0.000 0.961 26 R CB 2.801 33.346 30.300 0.408 0.000 1.182 26 R HN 0.296 nan 8.270 nan 0.000 0.479 27 L N 1.080 122.593 121.223 0.483 0.000 2.455 27 L HA 0.487 4.822 4.340 -0.007 0.000 0.264 27 L C -1.254 175.880 176.870 0.440 0.000 0.968 27 L CA -0.512 54.490 54.840 0.269 0.000 0.827 27 L CB 1.919 43.926 42.059 -0.088 0.000 1.317 27 L HN 0.647 nan 8.230 nan 0.000 0.407 28 R N 2.549 123.226 120.500 0.295 0.000 2.494 28 R HA 0.878 5.214 4.340 -0.007 0.000 0.305 28 R C -1.236 175.089 176.300 0.041 0.000 0.959 28 R CA 0.048 56.192 56.100 0.074 0.000 0.864 28 R CB 1.596 31.867 30.300 -0.048 0.000 1.159 28 R HN 0.829 nan 8.270 nan 0.000 0.446 29 T N 0.034 114.665 114.554 0.128 0.000 2.864 29 T HA 0.336 4.682 4.350 -0.007 0.000 0.289 29 T C -0.685 174.166 174.700 0.252 0.000 1.082 29 T CA -1.110 61.096 62.100 0.177 0.000 1.009 29 T CB 1.235 70.255 68.868 0.255 0.000 1.234 29 T HN 0.601 nan 8.240 nan 0.000 0.526 30 K N 1.071 121.595 120.400 0.208 0.000 2.412 30 K HA 0.161 4.477 4.320 -0.007 0.000 0.281 30 K C 0.207 176.865 176.600 0.097 0.000 1.027 30 K CA -0.465 55.915 56.287 0.155 0.000 0.989 30 K CB 0.460 33.006 32.500 0.077 0.000 0.935 30 K HN 0.677 nan 8.250 nan 0.000 0.475 31 K N 3.802 124.212 120.400 0.016 0.000 2.530 31 K HA -0.164 4.152 4.320 -0.007 0.000 0.280 31 K C -0.600 176.015 176.600 0.025 0.000 1.004 31 K CA 0.954 57.240 56.287 -0.001 0.000 1.071 31 K CB 0.180 32.639 32.500 -0.069 0.000 0.876 31 K HN 0.755 nan 8.250 nan 0.000 0.487 32 D N 2.360 122.797 120.400 0.060 0.000 2.983 32 D HA -0.230 4.405 4.640 -0.007 0.000 0.225 32 D C 0.154 176.507 176.300 0.088 0.000 1.174 32 D CA 1.523 55.568 54.000 0.076 0.000 0.831 32 D CB -0.763 40.056 40.800 0.031 0.000 1.104 32 D HN 0.800 nan 8.370 nan 0.000 0.421 33 D N -0.903 119.562 120.400 0.108 0.000 2.301 33 D HA 0.030 4.665 4.640 -0.007 0.000 0.206 33 D C 0.469 176.835 176.300 0.109 0.000 0.979 33 D CA 0.428 54.480 54.000 0.087 0.000 0.874 33 D CB 0.481 41.321 40.800 0.067 0.000 0.968 33 D HN 0.139 nan 8.370 nan 0.000 0.510 34 I N 1.313 121.991 120.570 0.180 0.000 2.433 34 I HA 0.187 4.353 4.170 -0.007 0.000 0.292 34 I C 0.491 176.758 176.117 0.250 0.000 1.001 34 I CA -0.534 60.864 61.300 0.163 0.000 1.119 34 I CB 1.822 39.880 38.000 0.097 0.000 1.289 34 I HN -0.111 nan 8.210 nan 0.000 0.438 35 D N 4.757 125.266 120.400 0.181 0.000 2.162 35 D HA 0.010 4.646 4.640 -0.007 0.000 0.205 35 D C 0.823 177.263 176.300 0.233 0.000 0.964 35 D CA 1.015 55.141 54.000 0.210 0.000 0.847 35 D CB 0.739 41.627 40.800 0.146 0.000 0.988 35 D HN 0.590 nan 8.370 nan 0.000 0.480 36 R N -0.746 119.803 120.500 0.080 0.000 2.710 36 R HA 0.611 4.947 4.340 -0.007 0.000 0.270 36 R C -1.840 174.312 176.300 -0.246 0.000 1.021 36 R CA -0.787 55.283 56.100 -0.050 0.000 0.889 36 R CB 1.602 31.915 30.300 0.022 0.000 1.243 36 R HN -0.226 nan 8.270 nan 0.000 0.464 37 V N 1.204 120.862 119.914 -0.426 0.000 2.686 37 V HA 0.398 4.513 4.120 -0.007 0.000 0.306 37 V C -0.706 175.384 176.094 -0.007 0.000 1.065 37 V CA -0.782 61.323 62.300 -0.326 0.000 0.894 37 V CB 1.952 33.289 31.823 -0.810 0.000 1.004 37 V HN 0.773 nan 8.190 nan 0.000 0.424 38 E N 3.080 123.357 120.200 0.129 0.000 2.183 38 E HA 0.512 4.857 4.350 -0.007 0.000 0.271 38 E C -1.234 175.424 176.600 0.097 0.000 0.919 38 E CA -1.012 55.472 56.400 0.139 0.000 0.781 38 E CB 2.950 32.777 29.700 0.211 0.000 1.140 38 E HN 0.470 nan 8.360 nan 0.000 0.402 39 L N 3.869 125.122 121.223 0.051 0.000 2.265 39 L HA 0.252 4.588 4.340 -0.007 0.000 0.288 39 L C -1.331 175.514 176.870 -0.041 0.000 1.058 39 L CA -0.446 54.355 54.840 -0.064 0.000 0.809 39 L CB 0.440 42.429 42.059 -0.115 0.000 1.179 39 L HN 0.380 nan 8.230 nan 0.000 0.429 40 L N 6.478 127.566 121.223 -0.224 0.000 2.264 40 L HA 0.519 4.855 4.340 -0.007 0.000 0.289 40 L C -0.511 176.122 176.870 -0.394 0.000 1.044 40 L CA 0.062 54.678 54.840 -0.372 0.000 0.807 40 L CB 0.546 42.210 42.059 -0.659 0.000 1.192 40 L HN 0.920 nan 8.230 nan 0.000 0.425 41 H N 1.684 120.595 119.070 -0.266 0.000 3.016 41 H HA 0.946 5.498 4.556 -0.007 0.000 0.362 41 H C -0.517 174.921 175.328 0.182 0.000 1.233 41 H CA -0.697 55.312 56.048 -0.066 0.000 1.124 41 H CB 1.725 31.437 29.762 -0.082 0.000 1.850 41 H HN 0.675 nan 8.280 nan 0.000 0.549 42 G N 0.016 108.956 108.800 0.234 0.000 2.488 42 G HA2 0.205 4.160 3.960 -0.007 0.000 0.301 42 G HA3 0.205 4.160 3.960 -0.007 0.000 0.301 42 G C -1.841 173.144 174.900 0.142 0.000 1.339 42 G CA -0.808 44.370 45.100 0.130 0.000 0.803 42 G HN 0.801 nan 8.290 nan 0.000 0.482 43 D N -0.089 120.353 120.400 0.071 0.000 2.304 43 D HA 0.312 4.947 4.640 -0.007 0.000 0.250 43 D C -1.369 174.923 176.300 -0.014 0.000 1.107 43 D CA -1.582 52.463 54.000 0.074 0.000 0.885 43 D CB 2.465 43.308 40.800 0.071 0.000 1.192 43 D HN -0.092 nan 8.370 nan 0.000 0.436 44 P HA -0.111 nan 4.420 nan 0.000 0.219 44 P C -0.041 176.904 177.300 -0.592 0.000 1.146 44 P CA 1.195 64.147 63.100 -0.247 0.000 0.808 44 P CB 0.026 31.524 31.700 -0.336 0.000 0.779 45 Y N -1.877 118.162 120.300 -0.435 0.000 2.658 45 Y HA 0.141 4.687 4.550 -0.007 0.000 0.276 45 Y C 1.493 176.897 175.900 -0.827 0.000 1.167 45 Y CA -0.351 57.162 58.100 -0.978 0.000 1.230 45 Y CB -0.708 37.259 38.460 -0.821 0.000 1.144 45 Y HN -0.130 nan 8.280 nan 0.000 0.529 46 D N 0.477 120.651 120.400 -0.376 0.000 2.228 46 D HA -0.214 4.421 4.640 -0.007 0.000 0.203 46 D C 1.789 177.838 176.300 -0.418 0.000 0.988 46 D CA 1.530 55.330 54.000 -0.332 0.000 0.864 46 D CB -0.310 40.337 40.800 -0.254 0.000 0.928 46 D HN 0.666 nan 8.370 nan 0.000 0.469 47 W N 1.597 122.704 121.300 -0.323 0.000 2.342 47 W HA -0.161 4.495 4.660 -0.007 0.000 0.297 47 W C 1.964 178.302 176.519 -0.302 0.000 1.213 47 W CA 1.104 58.181 57.345 -0.448 0.000 1.251 47 W CB -1.149 28.328 29.460 0.029 0.000 1.136 47 W HN -0.010 nan 8.180 nan 0.000 0.526 48 Q N 0.748 120.283 119.800 -0.440 0.000 2.112 48 Q HA -0.251 4.084 4.340 -0.007 0.000 0.206 48 Q C 1.347 177.258 176.000 -0.149 0.000 0.987 48 Q CA 2.130 57.835 55.803 -0.164 0.000 0.858 48 Q CB -0.539 27.994 28.738 -0.342 0.000 0.905 48 Q HN 0.642 nan 8.270 nan 0.000 0.420 49 N N -1.275 117.263 118.700 -0.270 0.000 2.314 49 N HA 0.119 4.854 4.740 -0.007 0.000 0.200 49 N C -0.029 175.281 175.510 -0.333 0.000 1.135 49 N CA 0.235 53.141 53.050 -0.240 0.000 0.835 49 N CB 0.677 39.028 38.487 -0.226 0.000 0.989 49 N HN 0.374 nan 8.380 nan 0.000 0.478 50 G N 0.995 109.469 108.800 -0.543 0.000 2.221 50 G HA2 -0.278 3.678 3.960 -0.007 0.000 0.265 50 G HA3 -0.278 3.678 3.960 -0.007 0.000 0.265 50 G C 0.095 174.340 174.900 -1.091 0.000 1.041 50 G CA 0.205 44.657 45.100 -1.080 0.000 0.807 50 G HN 0.402 nan 8.290 nan 0.000 0.502 51 A N 0.053 122.351 122.820 -0.871 0.000 3.173 51 A HA 0.577 4.893 4.320 -0.007 0.000 0.304 51 A C 1.110 178.399 177.584 -0.491 0.000 1.318 51 A CA -0.185 51.538 52.037 -0.523 0.000 1.069 51 A CB -0.214 18.595 19.000 -0.318 0.000 1.147 51 A HN 0.539 nan 8.150 nan 0.000 0.547 52 W N 0.026 121.269 121.300 -0.095 0.000 2.467 52 W HA -0.020 4.635 4.660 -0.007 0.000 0.275 52 W C 1.180 177.516 176.519 -0.305 0.000 1.239 52 W CA 0.327 57.569 57.345 -0.171 0.000 1.266 52 W CB -0.167 29.232 29.460 -0.101 0.000 1.112 52 W HN 0.630 nan 8.180 nan 0.000 0.576 53 Q N 0.766 120.542 119.800 -0.040 0.000 2.288 53 Q HA 0.109 4.445 4.340 -0.007 0.000 0.258 53 Q C -0.610 175.298 176.000 -0.152 0.000 0.957 53 Q CA -0.429 55.328 55.803 -0.078 0.000 0.919 53 Q CB 0.457 29.200 28.738 0.009 0.000 1.185 53 Q HN -0.225 nan 8.270 nan 0.000 0.408 54 F N 1.960 121.854 119.950 -0.093 0.000 2.490 54 F HA 0.057 4.579 4.527 -0.007 0.000 0.336 54 F C 0.976 176.660 175.800 -0.193 0.000 1.178 54 F CA 0.287 58.181 58.000 -0.177 0.000 1.301 54 F CB 0.558 39.437 39.000 -0.200 0.000 1.175 54 F HN 0.492 nan 8.300 nan 0.000 0.593 55 Q N 1.801 121.550 119.800 -0.085 0.000 2.221 55 Q HA 0.407 4.743 4.340 -0.007 0.000 0.242 55 Q C -0.557 175.311 176.000 -0.221 0.000 0.940 55 Q CA -0.791 54.870 55.803 -0.237 0.000 0.896 55 Q CB 1.776 30.222 28.738 -0.486 0.000 1.226 55 Q HN 0.446 nan 8.270 nan 0.000 0.463 56 M N 3.102 122.667 119.600 -0.057 0.000 2.395 56 M HA 0.480 4.955 4.480 -0.007 0.000 0.307 56 M C -1.962 174.411 176.300 0.120 0.000 1.091 56 M CA -0.444 54.884 55.300 0.046 0.000 0.919 56 M CB 1.915 34.547 32.600 0.054 0.000 1.662 56 M HN 0.825 nan 8.290 nan 0.000 0.440 57 M N 7.659 127.345 119.600 0.145 0.000 2.326 57 M HA 0.578 5.054 4.480 -0.007 0.000 0.292 57 M C -2.687 173.651 176.300 0.062 0.000 1.081 57 M CA -1.387 53.969 55.300 0.094 0.000 0.919 57 M CB 3.007 35.634 32.600 0.046 0.000 1.634 57 M HN 0.370 nan 8.290 nan 0.000 0.451 58 P HA 0.254 nan 4.420 nan 0.000 0.279 58 P C -1.242 176.121 177.300 0.104 0.000 1.239 58 P CA -0.221 62.928 63.100 0.082 0.000 0.789 58 P CB 0.875 32.619 31.700 0.074 0.000 0.933 59 M N 2.041 121.740 119.600 0.165 0.000 2.342 59 M HA 0.396 4.871 4.480 -0.007 0.000 0.332 59 M C 0.790 177.345 176.300 0.425 0.000 1.166 59 M CA -0.513 54.944 55.300 0.262 0.000 1.086 59 M CB 1.506 34.309 32.600 0.338 0.000 1.541 59 M HN 0.269 nan 8.290 nan 0.000 0.462 60 R N 1.600 122.342 120.500 0.404 0.000 2.460 60 R HA 0.305 4.641 4.340 -0.007 0.000 0.303 60 R C -0.759 175.693 176.300 0.253 0.000 0.968 60 R CA -0.671 55.632 56.100 0.338 0.000 0.889 60 R CB 1.233 31.672 30.300 0.232 0.000 1.123 60 R HN 0.584 nan 8.270 nan 0.000 0.455 61 K N 2.703 123.079 120.400 -0.040 0.000 2.349 61 K HA 0.050 4.366 4.320 -0.007 0.000 0.289 61 K C 0.209 176.714 176.600 -0.157 0.000 1.064 61 K CA 0.079 56.065 56.287 -0.501 0.000 0.947 61 K CB 0.812 32.844 32.500 -0.781 0.000 1.007 61 K HN 0.780 nan 8.250 nan 0.000 0.478 62 T N 0.435 114.959 114.554 -0.050 0.000 3.060 62 T HA 0.307 4.652 4.350 -0.007 0.000 0.249 62 T C 0.730 175.505 174.700 0.125 0.000 1.079 62 T CA 0.050 62.198 62.100 0.080 0.000 1.013 62 T CB 0.381 69.359 68.868 0.183 0.000 0.975 62 T HN 0.661 nan 8.240 nan 0.000 0.518 63 G N -0.255 108.542 108.800 -0.004 0.000 2.324 63 G HA2 0.470 4.425 3.960 -0.007 0.000 0.293 63 G HA3 0.470 4.425 3.960 -0.007 0.000 0.293 63 G C -1.813 173.074 174.900 -0.021 0.000 1.297 63 G CA -0.664 44.448 45.100 0.021 0.000 0.853 63 G HN 0.328 nan 8.290 nan 0.000 0.535 64 S N 0.112 115.844 115.700 0.053 0.000 2.533 64 S HA 0.675 5.141 4.470 -0.007 0.000 0.271 64 S C -0.965 173.696 174.600 0.102 0.000 1.143 64 S CA -0.577 57.670 58.200 0.078 0.000 0.891 64 S CB 2.159 65.365 63.200 0.009 0.000 1.105 64 S HN 1.066 nan 8.310 nan 0.000 0.468 65 D N 0.613 121.120 120.400 0.179 0.000 2.589 65 D HA 0.380 5.016 4.640 -0.007 0.000 0.268 65 D C 0.931 177.219 176.300 -0.019 0.000 1.182 65 D CA -0.584 53.491 54.000 0.126 0.000 1.087 65 D CB -0.007 40.998 40.800 0.340 0.000 1.186 65 D HN 0.294 nan 8.370 nan 0.000 0.620 66 E N -0.766 119.384 120.200 -0.083 0.000 2.130 66 E HA -0.108 4.238 4.350 -0.007 0.000 0.196 66 E C 1.889 178.346 176.600 -0.239 0.000 0.998 66 E CA 1.262 57.566 56.400 -0.160 0.000 0.806 66 E CB -0.143 29.449 29.700 -0.179 0.000 0.738 66 E HN 0.472 nan 8.360 nan 0.000 0.459 67 L N -1.886 119.105 121.223 -0.387 0.000 2.577 67 L HA 0.176 4.511 4.340 -0.007 0.000 0.225 67 L C 0.407 176.848 176.870 -0.714 0.000 1.053 67 L CA -0.053 54.365 54.840 -0.704 0.000 0.866 67 L CB 0.269 41.575 42.059 -1.255 0.000 1.132 67 L HN -0.099 nan 8.230 nan 0.000 0.486 68 F N -0.987 118.906 119.950 -0.096 0.000 2.575 68 F HA 0.491 5.013 4.527 -0.008 0.000 0.330 68 F C -0.145 175.461 175.800 -0.324 0.000 1.056 68 F CA -1.231 56.628 58.000 -0.235 0.000 0.964 68 F CB 0.740 39.491 39.000 -0.416 0.000 1.258 68 F HN -0.257 nan 8.300 nan 0.000 0.484 69 D N -0.151 120.172 120.400 -0.128 0.000 2.198 69 D HA 0.308 4.943 4.640 -0.007 0.000 0.247 69 D C -1.397 174.615 176.300 -0.480 0.000 1.010 69 D CA -0.182 53.671 54.000 -0.245 0.000 0.880 69 D CB 1.744 42.446 40.800 -0.164 0.000 1.209 69 D HN 0.357 nan 8.370 nan 0.000 0.451 70 Y N 0.199 120.274 120.300 -0.375 0.000 2.331 70 Y HA 0.337 4.882 4.550 -0.008 0.000 0.334 70 Y C -0.396 175.303 175.900 -0.335 0.000 0.960 70 Y CA -0.963 56.988 58.100 -0.249 0.000 1.130 70 Y CB 1.145 39.367 38.460 -0.396 0.000 1.164 70 Y HN 0.238 nan 8.280 nan 0.000 0.458 71 W N 4.010 125.475 121.300 0.275 0.000 2.516 71 W HA 0.618 5.273 4.660 -0.008 0.000 0.343 71 W C -0.918 175.802 176.519 0.335 0.000 1.094 71 W CA -0.825 56.673 57.345 0.255 0.000 1.250 71 W CB 1.080 30.645 29.460 0.175 0.000 1.308 71 W HN 0.355 nan 8.180 nan 0.000 0.588 72 F N 1.296 121.433 119.950 0.311 0.000 2.591 72 F HA 0.793 5.316 4.527 -0.007 0.000 0.309 72 F C -1.068 174.773 175.800 0.068 0.000 1.098 72 F CA -1.193 56.892 58.000 0.142 0.000 0.937 72 F CB 1.290 40.308 39.000 0.030 0.000 1.250 72 F HN 0.464 nan 8.300 nan 0.000 0.447 73 A N 4.290 126.418 122.820 -1.153 0.000 2.517 73 A HA 0.610 4.926 4.320 -0.007 0.000 0.297 73 A C -1.724 175.147 177.584 -1.188 0.000 1.050 73 A CA -0.728 50.766 52.037 -0.906 0.000 0.694 73 A CB 1.429 20.189 19.000 -0.400 0.000 1.277 73 A HN 0.809 nan 8.150 nan 0.000 0.400 74 E N 1.135 120.859 120.200 -0.793 0.000 2.183 74 E HA 0.742 5.088 4.350 -0.007 0.000 0.271 74 E C -1.252 175.144 176.600 -0.340 0.000 0.919 74 E CA -0.885 55.231 56.400 -0.473 0.000 0.781 74 E CB 2.157 31.749 29.700 -0.181 0.000 1.140 74 E HN 0.295 nan 8.360 nan 0.000 0.402 75 V N 2.615 122.342 119.914 -0.312 0.000 2.709 75 V HA 0.305 4.421 4.120 -0.007 0.000 0.308 75 V C -0.682 175.284 176.094 -0.212 0.000 1.062 75 V CA -1.006 61.105 62.300 -0.316 0.000 0.901 75 V CB 2.100 33.643 31.823 -0.466 0.000 1.003 75 V HN 0.671 nan 8.190 nan 0.000 0.425 76 K N 4.284 124.592 120.400 -0.154 0.000 2.423 76 K HA 0.415 4.731 4.320 -0.007 0.000 0.234 76 K C -2.688 173.849 176.600 -0.104 0.000 1.051 76 K CA -1.565 54.652 56.287 -0.116 0.000 1.021 76 K CB 1.095 33.546 32.500 -0.083 0.000 1.474 76 K HN 0.408 nan 8.250 nan 0.000 0.474 77 P HA -0.058 nan 4.420 nan 0.000 0.261 77 P C -1.743 175.490 177.300 -0.111 0.000 1.183 77 P CA -0.882 62.181 63.100 -0.062 0.000 0.761 77 P CB 0.314 31.977 31.700 -0.062 0.000 0.785 78 P HA -0.171 nan 4.420 nan 0.000 0.216 78 P C 0.162 177.089 177.300 -0.622 0.000 1.150 78 P CA 1.850 64.732 63.100 -0.364 0.000 0.837 78 P CB -0.041 31.459 31.700 -0.335 0.000 0.786 79 Y N -1.253 119.013 120.300 -0.056 0.000 2.696 79 Y HA 0.392 4.937 4.550 -0.007 0.000 0.260 79 Y C 0.882 176.676 175.900 -0.177 0.000 1.165 79 Y CA -0.548 57.514 58.100 -0.064 0.000 1.189 79 Y CB 0.087 38.536 38.460 -0.018 0.000 1.180 79 Y HN -0.192 nan 8.280 nan 0.000 0.538 80 R N -0.121 120.273 120.500 -0.177 0.000 3.953 80 R HA -0.209 4.127 4.340 -0.007 0.000 0.340 80 R C -0.553 175.509 176.300 -0.396 0.000 1.195 80 R CA 0.836 56.676 56.100 -0.432 0.000 0.929 80 R CB -1.706 28.057 30.300 -0.895 0.000 1.402 80 R HN 0.367 nan 8.270 nan 0.000 0.540 81 R N 0.282 120.744 120.500 -0.063 0.000 2.670 81 R HA 0.679 5.015 4.340 -0.007 0.000 0.289 81 R C -1.033 175.367 176.300 0.166 0.000 0.965 81 R CA -0.997 55.171 56.100 0.113 0.000 0.899 81 R CB 1.897 32.338 30.300 0.235 0.000 1.173 81 R HN -0.037 nan 8.270 nan 0.000 0.456 82 L N 1.226 122.593 121.223 0.240 0.000 2.482 82 L HA 0.492 4.828 4.340 -0.007 0.000 0.263 82 L C -1.356 175.719 176.870 0.340 0.000 0.957 82 L CA -0.455 54.550 54.840 0.275 0.000 0.836 82 L CB 2.053 44.268 42.059 0.260 0.000 1.324 82 L HN 0.471 nan 8.230 nan 0.000 0.406 83 R N 3.383 124.058 120.500 0.292 0.000 2.534 83 R HA 0.640 4.975 4.340 -0.007 0.000 0.301 83 R C -1.737 174.695 176.300 0.220 0.000 0.961 83 R CA -0.489 55.740 56.100 0.215 0.000 0.871 83 R CB 1.819 32.222 30.300 0.171 0.000 1.170 83 R HN 0.723 nan 8.270 nan 0.000 0.446 84 Y N -1.219 119.095 120.300 0.023 0.000 2.655 84 Y HA 0.841 5.387 4.550 -0.007 0.000 0.336 84 Y C -0.443 175.322 175.900 -0.225 0.000 1.154 84 Y CA -1.216 56.735 58.100 -0.248 0.000 1.055 84 Y CB 1.381 39.680 38.460 -0.267 0.000 1.295 84 Y HN 0.629 nan 8.280 nan 0.000 0.465 85 G N 0.112 108.697 108.800 -0.359 0.000 2.687 85 G HA2 0.656 4.612 3.960 -0.007 0.000 0.291 85 G HA3 0.656 4.612 3.960 -0.007 0.000 0.291 85 G C -2.507 172.065 174.900 -0.547 0.000 1.420 85 G CA -1.122 43.819 45.100 -0.265 0.000 0.796 85 G HN 0.496 nan 8.290 nan 0.000 0.485 86 F N -0.357 119.652 119.950 0.098 0.000 2.540 86 F HA 0.582 5.105 4.527 -0.007 0.000 0.317 86 F C 0.011 175.842 175.800 0.052 0.000 1.104 86 F CA -0.952 57.100 58.000 0.087 0.000 0.913 86 F CB 2.769 41.874 39.000 0.176 0.000 1.170 86 F HN 0.214 nan 8.300 nan 0.000 0.450 87 V N 4.762 124.757 119.914 0.135 0.000 2.347 87 V HA 0.427 4.543 4.120 -0.007 0.000 0.280 87 V C -0.512 175.504 176.094 -0.131 0.000 1.021 87 V CA -0.616 61.668 62.300 -0.027 0.000 0.847 87 V CB 1.221 33.002 31.823 -0.071 0.000 0.990 87 V HN 0.476 nan 8.190 nan 0.000 0.444 88 L N 6.019 127.132 121.223 -0.184 0.000 2.296 88 L HA 0.537 4.873 4.340 -0.007 0.000 0.286 88 L C -0.867 175.820 176.870 -0.306 0.000 1.023 88 L CA -0.279 54.448 54.840 -0.190 0.000 0.812 88 L CB 0.890 42.904 42.059 -0.076 0.000 1.223 88 L HN 0.467 nan 8.230 nan 0.000 0.421 89 Y N 1.126 121.400 120.300 -0.044 0.000 2.342 89 Y HA 0.332 4.878 4.550 -0.007 0.000 0.338 89 Y C 0.955 176.855 175.900 -0.000 0.000 0.965 89 Y CA -0.269 57.827 58.100 -0.007 0.000 1.159 89 Y CB 1.920 40.378 38.460 -0.004 0.000 1.157 89 Y HN 0.620 nan 8.280 nan 0.000 0.486 90 S N 2.048 117.825 115.700 0.128 0.000 2.601 90 S HA 0.514 4.980 4.470 -0.007 0.000 0.244 90 S C 0.878 175.535 174.600 0.095 0.000 1.001 90 S CA 0.499 58.755 58.200 0.092 0.000 0.984 90 S CB -0.695 62.534 63.200 0.047 0.000 0.842 90 S HN 1.174 nan 8.310 nan 0.000 0.474 91 G N 1.700 110.578 108.800 0.129 0.000 2.591 91 G HA2 -0.179 3.777 3.960 -0.007 0.000 0.226 91 G HA3 -0.179 3.777 3.960 -0.007 0.000 0.226 91 G C 0.271 175.239 174.900 0.113 0.000 1.598 91 G CA 0.186 45.347 45.100 0.102 0.000 1.349 91 G HN 0.390 nan 8.290 nan 0.000 0.493 92 E N 1.752 122.000 120.200 0.081 0.000 2.216 92 E HA 0.285 4.630 4.350 -0.007 0.000 0.192 92 E C 0.959 177.603 176.600 0.073 0.000 0.973 92 E CA 0.668 57.112 56.400 0.074 0.000 0.851 92 E CB 0.048 29.773 29.700 0.042 0.000 0.804 92 E HN 0.691 nan 8.360 nan 0.000 0.477 93 E N 1.263 121.498 120.200 0.060 0.000 2.398 93 E HA 0.148 4.494 4.350 -0.007 0.000 0.263 93 E C 0.012 176.638 176.600 0.044 0.000 1.046 93 E CA 0.307 56.735 56.400 0.046 0.000 0.908 93 E CB 0.645 30.364 29.700 0.033 0.000 0.963 93 E HN -0.162 nan 8.360 nan 0.000 0.431 94 K N 3.243 123.663 120.400 0.033 0.000 2.619 94 K HA 0.306 4.622 4.320 -0.007 0.000 0.251 94 K C -1.821 174.790 176.600 0.018 0.000 0.987 94 K CA -0.350 55.899 56.287 -0.064 0.000 0.844 94 K CB 0.740 33.197 32.500 -0.071 0.000 1.237 94 K HN 0.446 nan 8.250 nan 0.000 0.447 95 L N 3.627 124.839 121.223 -0.019 0.000 2.354 95 L HA 0.566 4.902 4.340 -0.007 0.000 0.269 95 L C -0.633 176.309 176.870 0.120 0.000 1.005 95 L CA -1.429 53.471 54.840 0.099 0.000 0.819 95 L CB 2.315 44.459 42.059 0.142 0.000 1.311 95 L HN 0.312 nan 8.230 nan 0.000 0.423 96 V N 2.202 122.224 119.914 0.180 0.000 2.333 96 V HA 0.199 4.314 4.120 -0.007 0.000 0.274 96 V C -0.800 175.450 176.094 0.261 0.000 1.028 96 V CA -0.562 61.843 62.300 0.175 0.000 0.851 96 V CB 1.018 32.907 31.823 0.110 0.000 1.000 96 V HN 0.427 nan 8.190 nan 0.000 0.456 97 Y N 5.615 125.987 120.300 0.120 0.000 2.350 97 Y HA 0.627 5.173 4.550 -0.007 0.000 0.340 97 Y C 0.477 176.395 175.900 0.029 0.000 1.006 97 Y CA -0.481 57.581 58.100 -0.063 0.000 1.166 97 Y CB 1.128 39.639 38.460 0.085 0.000 1.168 97 Y HN 0.810 nan 8.280 nan 0.000 0.502 98 T N 0.751 114.996 114.554 -0.516 0.000 2.838 98 T HA 0.278 4.624 4.350 -0.007 0.000 0.292 98 T C 0.705 174.667 174.700 -1.229 0.000 1.113 98 T CA -0.540 61.066 62.100 -0.823 0.000 1.008 98 T CB 1.507 69.993 68.868 -0.638 0.000 1.259 98 T HN 0.667 nan 8.240 nan 0.000 0.520 99 E N 0.048 119.241 120.200 -1.677 0.000 2.110 99 E HA -0.122 4.224 4.350 -0.007 0.000 0.193 99 E C 1.523 177.823 176.600 -0.501 0.000 0.988 99 E CA 1.039 56.737 56.400 -1.169 0.000 0.804 99 E CB -0.007 29.162 29.700 -0.886 0.000 0.745 99 E HN 0.502 nan 8.360 nan 0.000 0.458 100 K N -0.536 119.632 120.400 -0.386 0.000 2.432 100 K HA 0.130 4.445 4.320 -0.007 0.000 0.196 100 K C 0.213 176.788 176.600 -0.043 0.000 1.038 100 K CA 0.674 56.887 56.287 -0.124 0.000 0.986 100 K CB 0.879 33.398 32.500 0.032 0.000 0.782 100 K HN 0.305 nan 8.250 nan 0.000 0.485 101 G N -1.390 107.320 108.800 -0.150 0.000 2.315 101 G HA2 -0.019 3.937 3.960 -0.007 0.000 0.296 101 G HA3 -0.019 3.937 3.960 -0.007 0.000 0.296 101 G C -1.389 173.312 174.900 -0.331 0.000 1.289 101 G CA -1.105 43.857 45.100 -0.231 0.000 0.996 101 G HN -0.034 nan 8.290 nan 0.000 0.487 102 F N 0.136 119.939 119.950 -0.245 0.000 2.397 102 F HA 0.821 5.344 4.527 -0.008 0.000 0.331 102 F C 0.222 175.586 175.800 -0.727 0.000 1.090 102 F CA -0.109 57.750 58.000 -0.236 0.000 1.065 102 F CB 1.546 40.445 39.000 -0.168 0.000 1.184 102 F HN 0.465 nan 8.300 nan 0.000 0.499 103 Y N 0.059 120.279 120.300 -0.133 0.000 2.615 103 Y HA 0.367 4.913 4.550 -0.007 0.000 0.341 103 Y C -0.070 175.625 175.900 -0.340 0.000 1.089 103 Y CA -1.269 56.608 58.100 -0.371 0.000 1.049 103 Y CB 0.850 39.147 38.460 -0.272 0.000 1.296 103 Y HN 0.360 nan 8.280 nan 0.000 0.470 104 F N -0.045 120.003 119.950 0.162 0.000 2.743 104 F HA 0.158 4.681 4.527 -0.007 0.000 0.297 104 F C 0.303 176.142 175.800 0.067 0.000 1.131 104 F CA -0.009 58.041 58.000 0.083 0.000 1.426 104 F CB 0.119 39.151 39.000 0.053 0.000 1.116 104 F HN 0.475 nan 8.300 nan 0.000 0.583 105 E N -1.223 119.094 120.200 0.196 0.000 2.401 105 E HA 0.434 4.780 4.350 -0.007 0.000 0.280 105 E C -1.018 175.603 176.600 0.035 0.000 1.039 105 E CA -1.327 55.141 56.400 0.113 0.000 0.814 105 E CB 2.076 31.843 29.700 0.111 0.000 1.275 105 E HN -0.152 nan 8.360 nan 0.000 0.448 106 V N -0.556 119.376 119.914 0.029 0.000 2.540 106 V HA 0.246 4.362 4.120 -0.007 0.000 0.297 106 V C -2.260 173.771 176.094 -0.105 0.000 1.024 106 V CA -1.108 61.191 62.300 -0.002 0.000 1.105 106 V CB -0.418 31.498 31.823 0.155 0.000 0.938 106 V HN 0.574 nan 8.190 nan 0.000 0.482 107 P HA 0.049 nan 4.420 nan 0.000 0.261 107 P C 1.114 178.329 177.300 -0.141 0.000 1.173 107 P CA 0.943 63.783 63.100 -0.433 0.000 0.760 107 P CB 0.456 31.479 31.700 -1.129 0.000 0.783 108 T N -1.580 112.923 114.554 -0.085 0.000 3.113 108 T HA -0.022 4.324 4.350 -0.007 0.000 0.256 108 T C 0.550 175.218 174.700 -0.054 0.000 1.131 108 T CA 0.096 62.167 62.100 -0.048 0.000 1.074 108 T CB -0.434 68.411 68.868 -0.039 0.000 0.944 108 T HN 0.439 nan 8.240 nan 0.000 0.516 109 D N 0.868 121.257 120.400 -0.019 0.000 2.478 109 D HA 0.185 4.821 4.640 -0.007 0.000 0.263 109 D C -0.708 175.607 176.300 0.025 0.000 1.153 109 D CA -0.687 53.303 54.000 -0.017 0.000 1.038 109 D CB 1.044 41.852 40.800 0.013 0.000 1.120 109 D HN 0.059 nan 8.370 nan 0.000 0.564 110 D N -0.775 119.601 120.400 -0.041 0.000 3.134 110 D HA 0.162 4.797 4.640 -0.007 0.000 0.248 110 D C -0.814 175.454 176.300 -0.053 0.000 1.273 110 D CA -0.209 53.764 54.000 -0.045 0.000 0.904 110 D CB -0.257 40.449 40.800 -0.157 0.000 1.089 110 D HN 0.148 nan 8.370 nan 0.000 0.478 111 T N 0.248 114.812 114.554 0.016 0.000 2.902 111 T HA 0.545 4.891 4.350 -0.007 0.000 0.283 111 T C 0.228 174.768 174.700 -0.266 0.000 1.009 111 T CA -0.752 61.208 62.100 -0.234 0.000 1.051 111 T CB 1.720 70.269 68.868 -0.532 0.000 0.999 111 T HN 0.187 nan 8.240 nan 0.000 0.474 112 A N 2.556 125.192 122.820 -0.307 0.000 2.785 112 A HA 0.307 4.623 4.320 -0.007 0.000 0.294 112 A C 0.053 177.406 177.584 -0.385 0.000 1.597 112 A CA -0.052 51.871 52.037 -0.189 0.000 1.283 112 A CB -0.794 18.126 19.000 -0.134 0.000 1.088 112 A HN 0.956 nan 8.150 nan 0.000 0.568 113 Y N 0.615 120.671 120.300 -0.405 0.000 2.509 113 Y HA 0.134 4.679 4.550 -0.007 0.000 0.270 113 Y C 0.176 175.526 175.900 -0.917 0.000 1.103 113 Y CA 0.061 57.718 58.100 -0.738 0.000 1.278 113 Y CB -0.194 37.608 38.460 -1.097 0.000 1.087 113 Y HN 0.634 nan 8.280 nan 0.000 0.542 114 Y N -0.718 119.487 120.300 -0.158 0.000 2.316 114 Y HA 0.325 4.871 4.550 -0.007 0.000 0.324 114 Y C 0.049 175.657 175.900 -0.485 0.000 1.267 114 Y CA -1.909 55.969 58.100 -0.370 0.000 1.311 114 Y CB 0.166 38.515 38.460 -0.186 0.000 1.267 114 Y HN -0.232 nan 8.280 nan 0.000 0.516 115 F N 0.564 120.297 119.950 -0.362 0.000 2.490 115 F HA 0.325 4.847 4.527 -0.008 0.000 0.336 115 F C 0.542 176.012 175.800 -0.550 0.000 1.178 115 F CA -0.538 57.157 58.000 -0.507 0.000 1.301 115 F CB 0.441 38.979 39.000 -0.770 0.000 1.175 115 F HN 0.457 nan 8.300 nan 0.000 0.593 116 C N 3.391 122.685 119.300 -0.009 0.000 2.783 116 C HA 0.614 5.070 4.460 -0.007 0.000 0.312 116 C C -1.263 173.939 174.990 0.354 0.000 1.182 116 C CA -1.100 58.004 59.018 0.143 0.000 1.432 116 C CB 0.132 27.932 27.740 0.100 0.000 1.933 116 C HN 0.671 nan 8.230 nan 0.000 0.473 117 F N 7.313 127.467 119.950 0.341 0.000 2.359 117 F HA 0.464 4.987 4.527 -0.007 0.000 0.370 117 F C -1.713 174.214 175.800 0.212 0.000 1.077 117 F CA -2.064 56.109 58.000 0.289 0.000 1.136 117 F CB 1.280 40.437 39.000 0.263 0.000 1.387 117 F HN 0.483 nan 8.300 nan 0.000 0.468 118 P HA -0.227 nan 4.420 nan 0.000 0.214 118 P C -0.513 176.954 177.300 0.278 0.000 1.164 118 P CA 1.850 65.038 63.100 0.147 0.000 0.942 118 P CB 0.196 31.947 31.700 0.085 0.000 0.791 119 F N -3.234 116.733 119.950 0.030 0.000 2.678 119 F HA 0.443 4.966 4.527 -0.007 0.000 0.308 119 F C -1.501 174.308 175.800 0.014 0.000 1.118 119 F CA -1.076 56.918 58.000 -0.010 0.000 0.959 119 F CB 1.281 40.155 39.000 -0.209 0.000 1.305 119 F HN -0.356 nan 8.300 nan 0.000 0.443 120 L N 5.313 126.332 121.223 -0.340 0.000 2.270 120 L HA 0.404 4.740 4.340 -0.007 0.000 0.286 120 L C -1.191 175.712 176.870 0.056 0.000 1.059 120 L CA -0.306 54.537 54.840 0.005 0.000 0.839 120 L CB -0.040 41.946 42.059 -0.123 0.000 1.221 120 L HN 0.639 nan 8.230 nan 0.000 0.431 121 H N 2.889 122.193 119.070 0.390 0.000 2.488 121 H HA 0.254 4.806 4.556 -0.007 0.000 0.322 121 H C 0.617 176.070 175.328 0.209 0.000 1.078 121 H CA -0.499 55.745 56.048 0.327 0.000 1.260 121 H CB 1.649 31.567 29.762 0.259 0.000 1.425 121 H HN 0.479 nan 8.280 nan 0.000 0.471 122 R N 2.512 123.177 120.500 0.275 0.000 2.096 122 R HA -0.132 4.204 4.340 -0.007 0.000 0.235 122 R C 1.695 178.090 176.300 0.158 0.000 1.127 122 R CA 1.255 57.459 56.100 0.173 0.000 0.968 122 R CB -0.133 30.244 30.300 0.128 0.000 0.861 122 R HN 0.537 nan 8.270 nan 0.000 0.440 123 V N 1.255 121.272 119.914 0.171 0.000 2.490 123 V HA -0.191 3.924 4.120 -0.007 0.000 0.250 123 V C 0.896 177.060 176.094 0.117 0.000 1.061 123 V CA 2.177 64.545 62.300 0.114 0.000 1.064 123 V CB -0.197 31.673 31.823 0.078 0.000 0.670 123 V HN 0.354 nan 8.190 nan 0.000 0.461 124 D N -0.274 120.230 120.400 0.174 0.000 2.347 124 D HA 0.077 4.712 4.640 -0.007 0.000 0.213 124 D C 0.796 177.213 176.300 0.195 0.000 0.985 124 D CA -0.007 54.098 54.000 0.175 0.000 0.879 124 D CB -0.136 40.797 40.800 0.221 0.000 0.919 124 D HN 0.394 nan 8.370 nan 0.000 0.526 125 L N 1.443 122.779 121.223 0.189 0.000 2.540 125 L HA 0.027 4.363 4.340 -0.007 0.000 0.276 125 L C -0.290 176.674 176.870 0.157 0.000 1.212 125 L CA -0.074 54.874 54.840 0.180 0.000 0.893 125 L CB -0.084 42.048 42.059 0.122 0.000 1.138 125 L HN -0.155 nan 8.230 nan 0.000 0.491 126 F N 5.658 125.641 119.950 0.055 0.000 2.467 126 F HA 0.343 4.866 4.527 -0.007 0.000 0.362 126 F C 0.131 175.920 175.800 -0.018 0.000 1.090 126 F CA 0.023 58.035 58.000 0.019 0.000 1.202 126 F CB 0.255 39.252 39.000 -0.006 0.000 1.113 126 F HN 0.683 nan 8.300 nan 0.000 0.541 127 E N 5.597 125.395 120.200 -0.671 0.000 2.317 127 E HA 0.564 4.910 4.350 -0.007 0.000 0.270 127 E C -1.747 174.549 176.600 -0.507 0.000 0.899 127 E CA -0.799 55.331 56.400 -0.449 0.000 0.814 127 E CB 1.212 30.802 29.700 -0.184 0.000 1.296 127 E HN 0.846 nan 8.360 nan 0.000 0.404 128 A N 4.637 127.202 122.820 -0.425 0.000 2.282 128 A HA 0.677 4.992 4.320 -0.007 0.000 0.319 128 A C -2.456 175.027 177.584 -0.169 0.000 1.121 128 A CA -1.583 50.309 52.037 -0.242 0.000 0.836 128 A CB 0.440 19.388 19.000 -0.086 0.000 1.146 128 A HN 0.474 nan 8.150 nan 0.000 0.494 129 P HA -0.025 nan 4.420 nan 0.000 0.261 129 P C 0.360 177.441 177.300 -0.364 0.000 1.183 129 P CA 0.185 63.143 63.100 -0.237 0.000 0.761 129 P CB 0.495 31.987 31.700 -0.347 0.000 0.785 130 D N 3.606 123.923 120.400 -0.138 0.000 2.221 130 D HA -0.157 4.478 4.640 -0.007 0.000 0.204 130 D C 1.245 177.499 176.300 -0.076 0.000 0.982 130 D CA 1.129 55.077 54.000 -0.086 0.000 0.857 130 D CB 0.062 40.866 40.800 0.006 0.000 0.934 130 D HN 0.540 nan 8.370 nan 0.000 0.475 131 W N 1.561 122.831 121.300 -0.050 0.000 2.425 131 W HA -0.103 4.552 4.660 -0.007 0.000 0.277 131 W C 1.841 178.291 176.519 -0.114 0.000 1.231 131 W CA 1.217 58.513 57.345 -0.081 0.000 1.248 131 W CB -1.275 28.132 29.460 -0.089 0.000 1.117 131 W HN -0.091 nan 8.180 nan 0.000 0.568 132 V N 0.955 120.409 119.914 -0.767 0.000 2.568 132 V HA -0.236 3.880 4.120 -0.007 0.000 0.253 132 V C 2.248 178.195 176.094 -0.246 0.000 1.072 132 V CA 2.025 63.924 62.300 -0.669 0.000 1.084 132 V CB -1.054 30.105 31.823 -1.107 0.000 0.676 132 V HN 0.108 nan 8.190 nan 0.000 0.469 133 K N 0.525 120.815 120.400 -0.183 0.000 2.360 133 K HA -0.088 4.227 4.320 -0.007 0.000 0.201 133 K C 1.036 177.609 176.600 -0.045 0.000 1.046 133 K CA 1.473 57.711 56.287 -0.082 0.000 0.945 133 K CB -0.186 32.280 32.500 -0.057 0.000 0.750 133 K HN 0.593 nan 8.250 nan 0.000 0.464 134 D N 0.107 120.489 120.400 -0.031 0.000 2.479 134 D HA 0.039 4.674 4.640 -0.007 0.000 0.218 134 D C -0.269 176.007 176.300 -0.040 0.000 1.177 134 D CA 0.201 54.190 54.000 -0.019 0.000 0.830 134 D CB 0.867 41.667 40.800 -0.000 0.000 1.014 134 D HN -0.055 nan 8.370 nan 0.000 0.503 135 T N 0.749 115.262 114.554 -0.070 0.000 2.837 135 T HA 0.390 4.736 4.350 -0.007 0.000 0.285 135 T C 0.197 174.794 174.700 -0.171 0.000 0.984 135 T CA -0.357 61.630 62.100 -0.188 0.000 1.049 135 T CB 2.631 71.279 68.868 -0.367 0.000 0.947 135 T HN -0.279 nan 8.240 nan 0.000 0.472 136 V N 3.804 123.610 119.914 -0.181 0.000 2.350 136 V HA 0.342 4.458 4.120 -0.007 0.000 0.285 136 V C -0.747 175.338 176.094 -0.015 0.000 1.014 136 V CA -1.076 61.202 62.300 -0.036 0.000 0.831 136 V CB 0.554 32.374 31.823 -0.006 0.000 1.000 136 V HN 0.828 nan 8.190 nan 0.000 0.433 137 W N 3.429 124.790 121.300 0.102 0.000 2.183 137 W HA 0.536 5.192 4.660 -0.007 0.000 0.348 137 W C -0.383 176.286 176.519 0.250 0.000 1.257 137 W CA -0.335 57.135 57.345 0.209 0.000 1.324 137 W CB 0.611 30.263 29.460 0.320 0.000 1.144 137 W HN 0.521 nan 8.180 nan 0.000 0.622 138 Y N 1.792 122.347 120.300 0.424 0.000 2.329 138 Y HA 0.210 4.756 4.550 -0.007 0.000 0.328 138 Y C -0.207 175.859 175.900 0.278 0.000 0.992 138 Y CA -1.152 57.111 58.100 0.272 0.000 1.151 138 Y CB 1.038 39.590 38.460 0.154 0.000 1.150 138 Y HN 0.404 nan 8.280 nan 0.000 0.450 139 Q N 6.439 126.277 119.800 0.064 0.000 2.267 139 Q HA 0.523 4.859 4.340 -0.007 0.000 0.255 139 Q C -1.403 174.515 176.000 -0.137 0.000 0.923 139 Q CA -0.329 55.503 55.803 0.047 0.000 0.925 139 Q CB 0.796 29.682 28.738 0.246 0.000 1.195 139 Q HN 0.768 nan 8.270 nan 0.000 0.417 140 I N 4.154 124.565 120.570 -0.265 0.000 2.436 140 I HA 0.248 4.414 4.170 -0.007 0.000 0.289 140 I C -1.008 174.891 176.117 -0.363 0.000 1.010 140 I CA -0.828 60.233 61.300 -0.399 0.000 1.098 140 I CB 1.362 39.045 38.000 -0.528 0.000 1.266 140 I HN 0.637 nan 8.210 nan 0.000 0.434 141 F N 9.444 129.078 119.950 -0.528 0.000 2.309 141 F HA 0.423 4.946 4.527 -0.007 0.000 0.366 141 F C -1.813 173.802 175.800 -0.308 0.000 1.104 141 F CA -2.303 55.505 58.000 -0.320 0.000 1.179 141 F CB 0.748 39.691 39.000 -0.094 0.000 1.437 141 F HN 0.290 nan 8.300 nan 0.000 0.528 142 P HA -0.284 nan 4.420 nan 0.000 0.219 142 P C 1.522 178.722 177.300 -0.167 0.000 1.161 142 P CA 1.510 64.304 63.100 -0.511 0.000 0.909 142 P CB 0.219 31.204 31.700 -1.192 0.000 0.793 143 E N -0.938 119.224 120.200 -0.063 0.000 2.333 143 E HA -0.197 4.148 4.350 -0.007 0.000 0.200 143 E C 1.025 177.883 176.600 0.429 0.000 1.010 143 E CA 1.033 57.664 56.400 0.385 0.000 0.841 143 E CB -0.051 29.875 29.700 0.376 0.000 0.757 143 E HN 0.164 nan 8.360 nan 0.000 0.508 144 R N -1.545 119.157 120.500 0.338 0.000 2.572 144 R HA 0.097 4.433 4.340 -0.007 0.000 0.370 144 R C 1.254 177.791 176.300 0.395 0.000 1.005 144 R CA -0.243 56.013 56.100 0.260 0.000 1.146 144 R CB -0.460 29.963 30.300 0.204 0.000 1.390 144 R HN 0.074 nan 8.270 nan 0.000 0.553 145 F N 1.156 121.264 119.950 0.263 0.000 2.188 145 F HA 0.440 4.963 4.527 -0.007 0.000 0.289 145 F C 0.326 176.460 175.800 0.558 0.000 1.082 145 F CA 0.199 58.353 58.000 0.257 0.000 1.282 145 F CB 0.432 39.471 39.000 0.065 0.000 1.060 145 F HN -0.035 nan 8.300 nan 0.000 0.493 146 A N 0.124 123.118 122.820 0.291 0.000 2.577 146 A HA 0.434 4.750 4.320 -0.007 0.000 0.297 146 A C -1.569 175.794 177.584 -0.368 0.000 1.060 146 A CA -0.637 51.227 52.037 -0.289 0.000 0.697 146 A CB 0.322 19.249 19.000 -0.122 0.000 1.281 146 A HN 0.122 nan 8.150 nan 0.000 0.402 147 N N 1.349 119.603 118.700 -0.742 0.000 2.645 147 N HA 0.429 5.164 4.740 -0.007 0.000 0.233 147 N C 0.869 176.248 175.510 -0.218 0.000 1.058 147 N CA 0.476 53.339 53.050 -0.312 0.000 0.942 147 N CB 0.861 39.200 38.487 -0.246 0.000 1.210 147 N HN 0.768 nan 8.380 nan 0.000 0.512 148 G N 1.772 110.499 108.800 -0.123 0.000 3.020 148 G HA2 -0.045 3.910 3.960 -0.007 0.000 0.217 148 G HA3 -0.045 3.910 3.960 -0.007 0.000 0.217 148 G C 0.306 175.171 174.900 -0.058 0.000 1.144 148 G CA -0.228 44.802 45.100 -0.116 0.000 0.760 148 G HN 0.536 nan 8.290 nan 0.000 0.548 149 N N 0.226 118.918 118.700 -0.013 0.000 2.750 149 N HA 0.258 4.994 4.740 -0.007 0.000 0.253 149 N C -2.246 173.285 175.510 0.035 0.000 1.408 149 N CA -1.294 51.763 53.050 0.012 0.000 0.780 149 N CB 2.020 40.526 38.487 0.032 0.000 1.191 149 N HN -0.193 nan 8.380 nan 0.000 0.511 150 P HA -0.149 nan 4.420 nan 0.000 0.216 150 P C 1.417 178.746 177.300 0.048 0.000 1.150 150 P CA 1.396 64.523 63.100 0.046 0.000 0.843 150 P CB 0.253 31.971 31.700 0.029 0.000 0.787 151 S N -0.449 115.269 115.700 0.031 0.000 2.442 151 S HA -0.136 4.330 4.470 -0.007 0.000 0.236 151 S C 1.711 176.325 174.600 0.023 0.000 1.007 151 S CA 1.229 59.443 58.200 0.024 0.000 0.965 151 S CB -1.427 61.780 63.200 0.012 0.000 0.773 151 S HN 0.343 nan 8.310 nan 0.000 0.504 152 I N -1.321 119.270 120.570 0.035 0.000 3.956 152 I HA 0.300 4.465 4.170 -0.007 0.000 0.333 152 I C 0.043 176.209 176.117 0.081 0.000 1.302 152 I CA -0.590 60.723 61.300 0.021 0.000 1.122 152 I CB -0.161 37.847 38.000 0.014 0.000 1.013 152 I HN -0.037 nan 8.210 nan 0.000 0.405 153 S N 3.284 119.049 115.700 0.108 0.000 2.563 153 S HA 0.170 4.636 4.470 -0.007 0.000 0.284 153 S C -2.082 172.580 174.600 0.103 0.000 1.331 153 S CA -0.478 57.803 58.200 0.135 0.000 1.047 153 S CB -0.191 63.094 63.200 0.142 0.000 0.859 153 S HN 0.150 nan 8.310 nan 0.000 0.514 154 P HA 0.050 nan 4.420 nan 0.000 0.265 154 P C 0.770 178.019 177.300 -0.085 0.000 1.187 154 P CA -0.014 62.952 63.100 -0.223 0.000 0.766 154 P CB 0.377 31.552 31.700 -0.875 0.000 0.820 155 E N 2.030 122.197 120.200 -0.055 0.000 2.132 155 E HA -0.228 4.118 4.350 -0.007 0.000 0.218 155 E C 1.330 177.933 176.600 0.005 0.000 1.058 155 E CA 1.857 58.252 56.400 -0.008 0.000 0.882 155 E CB -0.545 29.153 29.700 -0.003 0.000 0.774 155 E HN 0.627 nan 8.360 nan 0.000 0.467 156 G N 0.648 109.454 108.800 0.010 0.000 4.178 156 G HA2 0.181 4.137 3.960 -0.007 0.000 0.287 156 G HA3 0.181 4.137 3.960 -0.007 0.000 0.287 156 G C -0.556 174.360 174.900 0.027 0.000 1.293 156 G CA -0.371 44.745 45.100 0.027 0.000 1.393 156 G HN -0.063 nan 8.290 nan 0.000 0.623 157 S N 1.658 117.376 115.700 0.030 0.000 2.465 157 S HA 0.251 4.717 4.470 -0.007 0.000 0.280 157 S C 0.713 175.290 174.600 -0.037 0.000 1.232 157 S CA -0.503 57.712 58.200 0.025 0.000 1.066 157 S CB 0.850 64.117 63.200 0.112 0.000 0.929 157 S HN 0.381 nan 8.310 nan 0.000 0.494 158 R N 2.914 123.274 120.500 -0.233 0.000 2.694 158 R HA 0.197 4.532 4.340 -0.007 0.000 0.268 158 R C -2.561 173.745 176.300 0.009 0.000 1.061 158 R CA -2.082 53.896 56.100 -0.202 0.000 1.133 158 R CB -0.828 29.214 30.300 -0.431 0.000 1.020 158 R HN 0.326 nan 8.270 nan 0.000 0.475 159 P HA -0.113 nan 4.420 nan 0.000 0.262 159 P C -0.045 177.505 177.300 0.418 0.000 1.182 159 P CA 0.124 63.373 63.100 0.248 0.000 0.761 159 P CB 0.303 32.111 31.700 0.180 0.000 0.795 160 W N 4.257 125.739 121.300 0.304 0.000 2.513 160 W HA -0.053 4.603 4.660 -0.007 0.000 0.339 160 W C 1.036 177.676 176.519 0.201 0.000 1.257 160 W CA 1.818 59.353 57.345 0.316 0.000 1.280 160 W CB -0.297 29.285 29.460 0.203 0.000 1.214 160 W HN 0.844 nan 8.180 nan 0.000 0.567 161 G N 3.207 111.686 108.800 -0.536 0.000 2.244 161 G HA2 -0.434 3.521 3.960 -0.007 0.000 0.274 161 G HA3 -0.434 3.521 3.960 -0.007 0.000 0.274 161 G C 1.171 176.033 174.900 -0.063 0.000 1.002 161 G CA 1.039 45.893 45.100 -0.410 0.000 0.740 161 G HN 0.903 nan 8.290 nan 0.000 0.516 162 S N -0.603 115.169 115.700 0.119 0.000 2.383 162 S HA 0.177 4.643 4.470 -0.007 0.000 0.227 162 S C 0.913 175.580 174.600 0.113 0.000 1.026 162 S CA 1.377 59.659 58.200 0.136 0.000 0.981 162 S CB -0.010 63.294 63.200 0.174 0.000 0.818 162 S HN 1.153 nan 8.310 nan 0.000 0.472 163 E N -0.203 120.103 120.200 0.176 0.000 2.456 163 E HA 0.452 4.797 4.350 -0.007 0.000 0.276 163 E C -1.935 174.745 176.600 0.133 0.000 0.981 163 E CA -1.135 55.346 56.400 0.135 0.000 0.814 163 E CB 0.365 30.147 29.700 0.137 0.000 1.382 163 E HN -0.124 nan 8.360 nan 0.000 0.459 164 D N 2.691 123.141 120.400 0.085 0.000 2.424 164 D HA 0.173 4.808 4.640 -0.007 0.000 0.244 164 D C -1.887 174.495 176.300 0.137 0.000 1.134 164 D CA -0.974 53.058 54.000 0.054 0.000 0.881 164 D CB 0.627 41.443 40.800 0.027 0.000 1.191 164 D HN 0.222 nan 8.370 nan 0.000 0.445 165 P HA 0.084 nan 4.420 nan 0.000 0.272 165 P C -0.328 177.038 177.300 0.109 0.000 1.223 165 P CA -0.309 62.914 63.100 0.206 0.000 0.784 165 P CB 0.837 32.600 31.700 0.105 0.000 0.923 166 T N -2.476 112.134 114.554 0.094 0.000 2.888 166 T HA 0.458 4.803 4.350 -0.007 0.000 0.288 166 T C -2.229 172.483 174.700 0.019 0.000 1.063 166 T CA -2.077 60.043 62.100 0.033 0.000 1.010 166 T CB 0.980 69.851 68.868 0.006 0.000 1.214 166 T HN 0.030 nan 8.240 nan 0.000 0.533 167 P HA 0.008 nan 4.420 nan 0.000 0.223 167 P C 1.151 178.444 177.300 -0.012 0.000 1.144 167 P CA 1.111 64.232 63.100 0.035 0.000 0.783 167 P CB -0.060 31.660 31.700 0.032 0.000 0.771 168 T N -6.543 107.957 114.554 -0.090 0.000 3.043 168 T HA 0.159 4.504 4.350 -0.007 0.000 0.272 168 T C 0.703 175.152 174.700 -0.418 0.000 0.990 168 T CA -0.265 61.706 62.100 -0.215 0.000 0.897 168 T CB -0.546 68.255 68.868 -0.113 0.000 1.111 168 T HN 0.068 nan 8.240 nan 0.000 0.529 169 S N 1.083 116.606 115.700 -0.294 0.000 2.585 169 S HA 0.631 5.097 4.470 -0.007 0.000 0.273 169 S C -0.769 173.541 174.600 -0.485 0.000 1.339 169 S CA -0.532 57.480 58.200 -0.314 0.000 1.028 169 S CB 0.018 63.142 63.200 -0.128 0.000 0.906 169 S HN 0.240 nan 8.310 nan 0.000 0.528 170 F N 0.204 120.055 119.950 -0.164 0.000 2.576 170 F HA 0.611 5.134 4.527 -0.007 0.000 0.313 170 F C -0.099 175.536 175.800 -0.275 0.000 1.078 170 F CA -1.331 56.634 58.000 -0.059 0.000 0.921 170 F CB 1.807 40.770 39.000 -0.062 0.000 1.232 170 F HN 0.599 nan 8.300 nan 0.000 0.459 171 F N 0.068 120.211 119.950 0.321 0.000 2.856 171 F HA 0.352 4.874 4.527 -0.008 0.000 0.338 171 F C 1.239 177.318 175.800 0.465 0.000 1.100 171 F CA -0.144 58.012 58.000 0.260 0.000 1.150 171 F CB 0.836 39.801 39.000 -0.058 0.000 1.101 171 F HN 0.676 nan 8.300 nan 0.000 0.548 172 G N 1.208 110.334 108.800 0.544 0.000 2.198 172 G HA2 -0.169 3.787 3.960 -0.007 0.000 0.257 172 G HA3 -0.169 3.787 3.960 -0.007 0.000 0.257 172 G C 0.652 175.870 174.900 0.529 0.000 1.042 172 G CA -0.121 45.250 45.100 0.452 0.000 0.791 172 G HN 0.725 nan 8.290 nan 0.000 0.502 173 G N -0.233 108.971 108.800 0.673 0.000 2.527 173 G HA2 0.639 4.594 3.960 -0.007 0.000 0.248 173 G HA3 0.639 4.594 3.960 -0.007 0.000 0.248 173 G C -0.028 175.104 174.900 0.386 0.000 1.231 173 G CA 0.648 46.094 45.100 0.576 0.000 0.838 173 G HN 1.117 nan 8.290 nan 0.000 0.570 174 D N -0.614 119.909 120.400 0.205 0.000 2.713 174 D HA 0.141 4.777 4.640 -0.007 0.000 0.306 174 D C 1.088 177.392 176.300 0.006 0.000 1.299 174 D CA -0.902 53.175 54.000 0.128 0.000 0.823 174 D CB 0.403 41.326 40.800 0.204 0.000 1.353 174 D HN 0.191 nan 8.370 nan 0.000 0.447 175 L N -0.915 120.295 121.223 -0.023 0.000 2.042 175 L HA -0.175 4.161 4.340 -0.007 0.000 0.210 175 L C 2.396 179.273 176.870 0.011 0.000 1.076 175 L CA 1.565 56.384 54.840 -0.034 0.000 0.749 175 L CB -0.506 41.543 42.059 -0.017 0.000 0.893 175 L HN 0.509 nan 8.230 nan 0.000 0.432 176 Q N 0.645 120.456 119.800 0.019 0.000 2.135 176 Q HA -0.157 4.179 4.340 -0.007 0.000 0.204 176 Q C 2.109 178.097 176.000 -0.021 0.000 0.981 176 Q CA 1.983 57.783 55.803 -0.005 0.000 0.856 176 Q CB -0.659 28.072 28.738 -0.012 0.000 0.902 176 Q HN 0.420 nan 8.270 nan 0.000 0.425 177 G N 0.248 109.050 108.800 0.004 0.000 2.442 177 G HA2 -0.213 3.742 3.960 -0.007 0.000 0.219 177 G HA3 -0.213 3.742 3.960 -0.007 0.000 0.219 177 G C 1.416 176.405 174.900 0.148 0.000 1.141 177 G CA 1.023 46.128 45.100 0.009 0.000 0.763 177 G HN 0.437 nan 8.290 nan 0.000 0.554 178 I N 0.422 121.129 120.570 0.228 0.000 2.163 178 I HA -0.086 4.080 4.170 -0.007 0.000 0.240 178 I C 2.654 178.878 176.117 0.178 0.000 1.081 178 I CA 0.674 62.182 61.300 0.346 0.000 1.353 178 I CB -0.265 37.832 38.000 0.162 0.000 1.054 178 I HN 0.111 nan 8.210 nan 0.000 0.407 179 I N 1.060 121.666 120.570 0.060 0.000 2.151 179 I HA -0.350 3.816 4.170 -0.007 0.000 0.243 179 I C 1.992 178.079 176.117 -0.049 0.000 1.080 179 I CA 1.540 62.842 61.300 0.004 0.000 1.339 179 I CB -0.598 37.391 38.000 -0.019 0.000 1.039 179 I HN 0.278 nan 8.210 nan 0.000 0.409 180 D N -0.443 119.881 120.400 -0.127 0.000 2.218 180 D HA -0.162 4.473 4.640 -0.007 0.000 0.204 180 D C 1.752 177.773 176.300 -0.464 0.000 0.976 180 D CA 1.295 55.108 54.000 -0.312 0.000 0.853 180 D CB -0.261 40.270 40.800 -0.449 0.000 0.939 180 D HN 0.463 nan 8.370 nan 0.000 0.481 181 H N -0.370 118.613 119.070 -0.145 0.000 2.542 181 H HA 0.232 4.784 4.556 -0.007 0.000 0.283 181 H C 1.957 177.346 175.328 0.101 0.000 1.059 181 H CA -0.118 55.843 56.048 -0.144 0.000 1.162 181 H CB 0.538 30.087 29.762 -0.354 0.000 1.539 181 H HN 0.132 nan 8.280 nan 0.000 0.543 182 L N 0.074 121.383 121.223 0.144 0.000 2.081 182 L HA -0.212 4.123 4.340 -0.007 0.000 0.212 182 L C 1.740 178.665 176.870 0.093 0.000 1.080 182 L CA 1.445 56.355 54.840 0.116 0.000 0.754 182 L CB -0.276 41.809 42.059 0.043 0.000 0.893 182 L HN 0.106 nan 8.230 nan 0.000 0.433 183 D N -0.982 119.460 120.400 0.071 0.000 2.149 183 D HA -0.254 4.382 4.640 -0.007 0.000 0.198 183 D C 1.887 178.263 176.300 0.126 0.000 0.990 183 D CA 1.178 55.215 54.000 0.062 0.000 0.839 183 D CB -0.203 40.615 40.800 0.032 0.000 0.948 183 D HN 0.341 nan 8.370 nan 0.000 0.460 184 Y N 1.081 121.434 120.300 0.089 0.000 2.181 184 Y HA -0.136 4.409 4.550 -0.007 0.000 0.288 184 Y C 1.754 177.725 175.900 0.119 0.000 1.146 184 Y CA 1.290 59.488 58.100 0.164 0.000 1.164 184 Y CB -0.351 38.296 38.460 0.313 0.000 0.982 184 Y HN -0.029 nan 8.280 nan 0.000 0.515 185 L N -1.193 120.007 121.223 -0.038 0.000 2.093 185 L HA -0.187 4.149 4.340 -0.007 0.000 0.208 185 L C 2.378 179.131 176.870 -0.195 0.000 1.085 185 L CA 0.958 55.643 54.840 -0.258 0.000 0.755 185 L CB -0.743 41.217 42.059 -0.164 0.000 0.904 185 L HN 0.107 nan 8.230 nan 0.000 0.435 186 V N 0.087 119.948 119.914 -0.089 0.000 2.343 186 V HA -0.328 3.787 4.120 -0.007 0.000 0.247 186 V C 2.347 178.393 176.094 -0.080 0.000 1.051 186 V CA 2.206 64.463 62.300 -0.071 0.000 1.036 186 V CB -0.538 31.265 31.823 -0.032 0.000 0.654 186 V HN 0.601 nan 8.190 nan 0.000 0.451 187 D N -0.189 120.169 120.400 -0.069 0.000 2.144 187 D HA -0.167 4.469 4.640 -0.007 0.000 0.200 187 D C 2.151 178.389 176.300 -0.103 0.000 0.978 187 D CA 1.123 55.096 54.000 -0.045 0.000 0.833 187 D CB 0.144 40.960 40.800 0.026 0.000 0.961 187 D HN 0.346 nan 8.370 nan 0.000 0.470 188 L N 0.425 121.509 121.223 -0.231 0.000 2.083 188 L HA 0.016 4.351 4.340 -0.007 0.000 0.209 188 L C 1.811 178.551 176.870 -0.215 0.000 1.083 188 L CA 2.548 57.195 54.840 -0.322 0.000 0.752 188 L CB -0.468 41.292 42.059 -0.498 0.000 0.899 188 L HN 0.398 nan 8.230 nan 0.000 0.433 189 G N -2.107 106.594 108.800 -0.165 0.000 2.205 189 G HA2 -0.155 3.801 3.960 -0.007 0.000 0.180 189 G HA3 -0.155 3.801 3.960 -0.007 0.000 0.180 189 G C 0.221 175.059 174.900 -0.103 0.000 1.004 189 G CA -0.062 44.969 45.100 -0.115 0.000 0.670 189 G HN 0.143 nan 8.290 nan 0.000 0.496 190 I N 2.555 123.053 120.570 -0.119 0.000 2.775 190 I HA 0.197 4.363 4.170 -0.007 0.000 0.290 190 I C 1.763 177.822 176.117 -0.097 0.000 1.203 190 I CA 1.784 63.033 61.300 -0.085 0.000 1.433 190 I CB 0.755 38.693 38.000 -0.104 0.000 1.354 190 I HN 0.346 nan 8.210 nan 0.000 0.579 191 T N 1.128 115.606 114.554 -0.126 0.000 3.043 191 T HA 0.395 4.741 4.350 -0.007 0.000 0.272 191 T C 0.509 175.041 174.700 -0.280 0.000 0.990 191 T CA -0.161 61.835 62.100 -0.174 0.000 0.897 191 T CB 0.534 69.301 68.868 -0.169 0.000 1.111 191 T HN 0.755 nan 8.240 nan 0.000 0.529 192 G N 0.816 109.432 108.800 -0.307 0.000 2.746 192 G HA2 0.660 4.615 3.960 -0.007 0.000 0.297 192 G HA3 0.660 4.615 3.960 -0.007 0.000 0.297 192 G C -1.648 173.335 174.900 0.138 0.000 1.426 192 G CA -0.826 43.992 45.100 -0.470 0.000 0.989 192 G HN 0.354 nan 8.290 nan 0.000 0.520 193 I N 1.769 122.565 120.570 0.377 0.000 2.436 193 I HA 0.275 4.441 4.170 -0.007 0.000 0.289 193 I C -1.282 175.203 176.117 0.614 0.000 1.010 193 I CA -1.030 60.554 61.300 0.473 0.000 1.098 193 I CB 2.226 40.349 38.000 0.205 0.000 1.266 193 I HN 0.539 nan 8.210 nan 0.000 0.434 194 Y N 7.986 128.531 120.300 0.407 0.000 2.342 194 Y HA 0.630 5.175 4.550 -0.007 0.000 0.338 194 Y C -1.407 174.510 175.900 0.028 0.000 0.965 194 Y CA -1.211 56.985 58.100 0.160 0.000 1.159 194 Y CB 0.772 39.282 38.460 0.082 0.000 1.157 194 Y HN 0.367 nan 8.280 nan 0.000 0.486 195 L N 6.198 127.322 121.223 -0.164 0.000 2.334 195 L HA 0.521 4.857 4.340 -0.007 0.000 0.275 195 L C 0.724 177.295 176.870 -0.499 0.000 1.036 195 L CA -0.985 53.605 54.840 -0.416 0.000 0.807 195 L CB 1.848 43.722 42.059 -0.308 0.000 1.231 195 L HN 0.734 nan 8.230 nan 0.000 0.438 196 T N -0.455 113.770 114.554 -0.549 0.000 2.788 196 T HA 0.326 4.671 4.350 -0.007 0.000 0.280 196 T C -2.524 171.924 174.700 -0.420 0.000 0.984 196 T CA -1.845 60.010 62.100 -0.408 0.000 0.972 196 T CB 0.392 69.053 68.868 -0.345 0.000 1.039 196 T HN 0.277 nan 8.240 nan 0.000 0.530 197 P HA 0.049 nan 4.420 nan 0.000 0.259 197 P C 0.399 177.478 177.300 -0.368 0.000 1.163 197 P CA 0.399 63.179 63.100 -0.533 0.000 0.760 197 P CB -0.064 31.275 31.700 -0.601 0.000 0.762 198 I N -1.402 118.859 120.570 -0.515 0.000 4.147 198 I HA 0.307 4.473 4.170 -0.007 0.000 0.329 198 I C -0.408 175.731 176.117 0.037 0.000 1.424 198 I CA -0.284 60.966 61.300 -0.083 0.000 1.127 198 I CB 0.090 37.951 38.000 -0.231 0.000 1.128 198 I HN -0.100 nan 8.210 nan 0.000 0.417 199 F N 2.108 122.026 119.950 -0.052 0.000 2.370 199 F HA 0.465 4.988 4.527 -0.007 0.000 0.324 199 F C 1.203 176.979 175.800 -0.041 0.000 1.116 199 F CA -1.339 56.635 58.000 -0.042 0.000 1.123 199 F CB 0.285 39.238 39.000 -0.078 0.000 1.238 199 F HN 0.002 nan 8.300 nan 0.000 0.536 200 R N 1.316 121.946 120.500 0.216 0.000 2.485 200 R HA 0.223 4.558 4.340 -0.007 0.000 0.304 200 R C -0.496 175.831 176.300 0.046 0.000 0.934 200 R CA 0.590 56.750 56.100 0.101 0.000 1.102 200 R CB -0.095 30.281 30.300 0.126 0.000 0.906 200 R HN 0.703 nan 8.270 nan 0.000 0.407 201 S N 4.080 119.773 115.700 -0.011 0.000 2.537 201 S HA 0.388 4.854 4.470 -0.007 0.000 0.271 201 S C -2.170 172.404 174.600 -0.042 0.000 1.148 201 S CA -1.339 56.849 58.200 -0.021 0.000 0.868 201 S CB 1.926 65.093 63.200 -0.056 0.000 1.115 201 S HN 0.586 nan 8.310 nan 0.000 0.461 202 P HA 0.023 nan 4.420 nan 0.000 0.220 202 P C 0.742 178.075 177.300 0.054 0.000 1.152 202 P CA 0.554 63.658 63.100 0.007 0.000 0.812 202 P CB -0.233 31.494 31.700 0.045 0.000 0.792 203 S N 1.107 116.784 115.700 -0.039 0.000 2.617 203 S HA 0.060 4.525 4.470 -0.007 0.000 0.259 203 S C 1.186 175.760 174.600 -0.042 0.000 1.301 203 S CA -0.108 58.011 58.200 -0.135 0.000 0.984 203 S CB -0.060 62.793 63.200 -0.578 0.000 0.954 203 S HN 0.083 nan 8.310 nan 0.000 0.572 204 N N -0.053 118.579 118.700 -0.114 0.000 2.463 204 N HA -0.036 4.700 4.740 -0.007 0.000 0.181 204 N C 0.982 176.601 175.510 0.181 0.000 1.078 204 N CA 1.243 54.355 53.050 0.103 0.000 0.902 204 N CB -0.805 37.623 38.487 -0.098 0.000 0.970 204 N HN 0.945 nan 8.380 nan 0.000 0.451 205 H N -1.201 118.038 119.070 0.282 0.000 2.506 205 H HA 0.415 4.967 4.556 -0.007 0.000 0.289 205 H C -0.009 175.361 175.328 0.070 0.000 1.009 205 H CA -0.047 56.230 56.048 0.382 0.000 1.303 205 H CB 0.129 30.280 29.762 0.647 0.000 1.453 205 H HN -0.024 nan 8.280 nan 0.000 0.526 206 K N -0.516 119.806 120.400 -0.130 0.000 3.251 206 K HA -0.234 4.082 4.320 -0.007 0.000 0.282 206 K C -0.687 175.895 176.600 -0.030 0.000 1.201 206 K CA 0.704 56.931 56.287 -0.099 0.000 0.827 206 K CB -2.211 30.200 32.500 -0.148 0.000 1.286 206 K HN 0.388 nan 8.250 nan 0.000 0.503 207 Y N 1.153 121.698 120.300 0.408 0.000 2.511 207 Y HA -0.015 4.531 4.550 -0.007 0.000 0.279 207 Y C 0.985 177.035 175.900 0.250 0.000 1.157 207 Y CA 0.483 58.752 58.100 0.283 0.000 1.300 207 Y CB 0.407 39.016 38.460 0.248 0.000 1.052 207 Y HN 0.200 nan 8.280 nan 0.000 0.529 208 D N -0.300 120.300 120.400 0.334 0.000 2.505 208 D HA 0.095 4.731 4.640 -0.007 0.000 0.242 208 D C -0.367 175.998 176.300 0.108 0.000 1.136 208 D CA -0.315 53.833 54.000 0.245 0.000 0.954 208 D CB 0.090 41.033 40.800 0.239 0.000 1.002 208 D HN -0.120 nan 8.370 nan 0.000 0.512 209 T N 0.775 115.342 114.554 0.021 0.000 2.916 209 T HA 0.362 4.708 4.350 -0.007 0.000 0.303 209 T C 1.326 176.001 174.700 -0.042 0.000 1.025 209 T CA -0.066 61.950 62.100 -0.139 0.000 1.142 209 T CB 1.649 70.163 68.868 -0.590 0.000 0.947 209 T HN 0.492 nan 8.240 nan 0.000 0.544 210 A N 2.471 125.313 122.820 0.036 0.000 1.942 210 A HA 0.293 4.609 4.320 -0.007 0.000 0.209 210 A C 0.746 178.507 177.584 0.295 0.000 1.214 210 A CA 0.315 52.461 52.037 0.182 0.000 0.686 210 A CB 0.212 19.293 19.000 0.137 0.000 0.871 210 A HN 0.736 nan 8.150 nan 0.000 0.460 211 D N -2.639 117.867 120.400 0.176 0.000 2.764 211 D HA 0.422 5.058 4.640 -0.007 0.000 0.227 211 D C -0.421 175.975 176.300 0.160 0.000 1.347 211 D CA -0.561 53.617 54.000 0.297 0.000 0.953 211 D CB 0.495 41.471 40.800 0.293 0.000 1.476 211 D HN 0.105 nan 8.370 nan 0.000 0.585 212 Y N 1.957 122.445 120.300 0.312 0.000 2.439 212 Y HA 0.130 4.676 4.550 -0.008 0.000 0.292 212 Y C 1.324 177.085 175.900 -0.232 0.000 1.130 212 Y CA 0.587 58.679 58.100 -0.013 0.000 1.254 212 Y CB -0.050 38.392 38.460 -0.030 0.000 1.000 212 Y HN 0.413 nan 8.280 nan 0.000 0.554 213 F N 0.107 120.244 119.950 0.311 0.000 2.645 213 F HA 0.166 4.689 4.527 -0.007 0.000 0.300 213 F C 0.557 176.517 175.800 0.266 0.000 1.115 213 F CA -0.069 58.042 58.000 0.186 0.000 1.355 213 F CB 0.326 39.268 39.000 -0.096 0.000 1.026 213 F HN -0.086 nan 8.300 nan 0.000 0.536 214 E N 1.142 121.607 120.200 0.442 0.000 2.244 214 E HA 0.316 4.661 4.350 -0.007 0.000 0.260 214 E C -0.901 175.955 176.600 0.427 0.000 0.884 214 E CA -0.512 56.129 56.400 0.403 0.000 0.777 214 E CB 1.924 31.792 29.700 0.280 0.000 1.197 214 E HN -0.143 nan 8.360 nan 0.000 0.416 215 V N 3.841 124.053 119.914 0.498 0.000 2.872 215 V HA -0.067 4.049 4.120 -0.007 0.000 0.307 215 V C 0.696 176.960 176.094 0.284 0.000 1.072 215 V CA 0.309 62.862 62.300 0.422 0.000 1.148 215 V CB 1.049 33.083 31.823 0.353 0.000 0.954 215 V HN 0.774 nan 8.190 nan 0.000 0.490 216 D N 5.637 126.179 120.400 0.237 0.000 2.417 216 D HA 0.067 4.703 4.640 -0.007 0.000 0.250 216 D C -1.607 174.735 176.300 0.069 0.000 1.166 216 D CA -1.263 52.792 54.000 0.091 0.000 0.881 216 D CB 1.820 42.535 40.800 -0.141 0.000 1.164 216 D HN 0.275 nan 8.370 nan 0.000 0.467 217 P HA -0.159 nan 4.420 nan 0.000 0.217 217 P C 0.408 177.596 177.300 -0.187 0.000 1.148 217 P CA 1.402 64.431 63.100 -0.118 0.000 0.834 217 P CB 0.140 31.696 31.700 -0.239 0.000 0.783 218 H N -3.488 115.529 119.070 -0.088 0.000 2.529 218 H HA 0.040 4.591 4.556 -0.007 0.000 0.277 218 H C 1.332 176.716 175.328 0.094 0.000 0.999 218 H CA 0.746 56.743 56.048 -0.086 0.000 1.256 218 H CB -0.492 29.116 29.762 -0.257 0.000 1.402 218 H HN 0.125 nan 8.280 nan 0.000 0.566 219 F N -0.470 119.540 119.950 0.099 0.000 2.446 219 F HA 0.364 4.886 4.527 -0.007 0.000 0.292 219 F C 1.623 177.449 175.800 0.044 0.000 1.096 219 F CA 0.951 58.986 58.000 0.058 0.000 1.438 219 F CB 0.134 39.145 39.000 0.018 0.000 1.107 219 F HN 0.278 nan 8.300 nan 0.000 0.546 220 G N -0.429 108.512 108.800 0.234 0.000 2.373 220 G HA2 0.283 4.239 3.960 -0.007 0.000 0.250 220 G HA3 0.283 4.239 3.960 -0.007 0.000 0.250 220 G C -1.919 173.065 174.900 0.142 0.000 1.304 220 G CA -0.204 44.986 45.100 0.149 0.000 0.948 220 G HN 0.206 nan 8.290 nan 0.000 0.474 221 D N -1.408 119.078 120.400 0.143 0.000 2.837 221 D HA 0.497 5.133 4.640 -0.007 0.000 0.294 221 D C 1.425 177.856 176.300 0.219 0.000 1.158 221 D CA 0.047 54.149 54.000 0.170 0.000 1.073 221 D CB 0.541 41.421 40.800 0.133 0.000 1.419 221 D HN 0.727 nan 8.370 nan 0.000 0.584 222 K N 0.069 120.635 120.400 0.276 0.000 2.009 222 K HA -0.247 4.069 4.320 -0.007 0.000 0.210 222 K C 1.522 178.354 176.600 0.386 0.000 1.049 222 K CA 1.838 58.380 56.287 0.425 0.000 0.929 222 K CB -0.610 32.135 32.500 0.408 0.000 0.714 222 K HN 0.659 nan 8.250 nan 0.000 0.440 223 E N 0.891 121.228 120.200 0.228 0.000 2.338 223 E HA -0.110 4.236 4.350 -0.007 0.000 0.197 223 E C 1.341 178.024 176.600 0.140 0.000 1.007 223 E CA 1.381 57.879 56.400 0.163 0.000 0.849 223 E CB -0.324 29.436 29.700 0.099 0.000 0.774 223 E HN 0.317 nan 8.360 nan 0.000 0.506 224 T N 1.425 116.061 114.554 0.136 0.000 2.770 224 T HA -0.086 4.259 4.350 -0.007 0.000 0.263 224 T C 1.718 176.475 174.700 0.095 0.000 1.039 224 T CA 0.925 63.082 62.100 0.094 0.000 1.142 224 T CB -0.242 68.677 68.868 0.085 0.000 0.868 224 T HN 0.079 nan 8.240 nan 0.000 0.435 225 L N 1.674 122.972 121.223 0.124 0.000 1.989 225 L HA -0.008 4.327 4.340 -0.007 0.000 0.211 225 L C 2.388 179.359 176.870 0.168 0.000 1.071 225 L CA 1.914 56.803 54.840 0.083 0.000 0.749 225 L CB -0.624 41.415 42.059 -0.033 0.000 0.890 225 L HN 0.095 nan 8.230 nan 0.000 0.431 226 K N -1.434 119.169 120.400 0.338 0.000 2.044 226 K HA -0.214 4.102 4.320 -0.007 0.000 0.210 226 K C 1.902 178.571 176.600 0.116 0.000 1.049 226 K CA 2.182 58.647 56.287 0.296 0.000 0.927 226 K CB -0.298 32.337 32.500 0.226 0.000 0.713 226 K HN 0.452 nan 8.250 nan 0.000 0.443 227 T N 2.031 116.637 114.554 0.086 0.000 2.622 227 T HA -0.195 4.150 4.350 -0.007 0.000 0.266 227 T C 1.695 176.397 174.700 0.003 0.000 1.047 227 T CA 1.511 63.632 62.100 0.034 0.000 1.159 227 T CB -0.371 68.516 68.868 0.030 0.000 0.863 227 T HN 0.208 nan 8.240 nan 0.000 0.422 228 L N 1.145 122.370 121.223 0.003 0.000 2.013 228 L HA -0.079 4.257 4.340 -0.007 0.000 0.212 228 L C 2.173 178.995 176.870 -0.080 0.000 1.073 228 L CA 1.658 56.481 54.840 -0.028 0.000 0.753 228 L CB -0.793 41.251 42.059 -0.026 0.000 0.890 228 L HN 0.336 nan 8.230 nan 0.000 0.432 229 I N -0.695 119.815 120.570 -0.099 0.000 2.315 229 I HA -0.250 3.916 4.170 -0.007 0.000 0.248 229 I C 1.970 177.843 176.117 -0.407 0.000 1.117 229 I CA 1.298 62.434 61.300 -0.275 0.000 1.404 229 I CB -0.520 37.364 38.000 -0.194 0.000 1.071 229 I HN 0.276 nan 8.210 nan 0.000 0.419 230 D N 0.596 120.897 120.400 -0.165 0.000 2.097 230 D HA -0.110 4.526 4.640 -0.007 0.000 0.197 230 D C 2.359 178.631 176.300 -0.046 0.000 0.984 230 D CA 0.878 54.835 54.000 -0.072 0.000 0.826 230 D CB -0.115 40.680 40.800 -0.008 0.000 0.973 230 D HN 0.061 nan 8.370 nan 0.000 0.460 231 R N 0.175 120.646 120.500 -0.049 0.000 2.091 231 R HA -0.076 4.260 4.340 -0.007 0.000 0.238 231 R C 2.417 178.697 176.300 -0.033 0.000 1.136 231 R CA 0.601 56.683 56.100 -0.031 0.000 0.959 231 R CB -1.234 29.050 30.300 -0.028 0.000 0.856 231 R HN 0.312 nan 8.270 nan 0.000 0.437 232 C N -0.839 118.420 119.300 -0.069 0.000 2.453 232 C HA -0.053 4.403 4.460 -0.007 0.000 0.277 232 C C 2.439 177.438 174.990 0.014 0.000 1.262 232 C CA 0.414 59.401 59.018 -0.052 0.000 1.718 232 C CB -1.074 26.612 27.740 -0.090 0.000 2.031 232 C HN 0.565 nan 8.230 nan 0.000 0.480 233 H N 0.356 119.391 119.070 -0.060 0.000 2.352 233 H HA -0.140 4.412 4.556 -0.007 0.000 0.299 233 H C 1.800 177.082 175.328 -0.076 0.000 1.097 233 H CA 1.197 57.194 56.048 -0.084 0.000 1.311 233 H CB -0.112 29.605 29.762 -0.074 0.000 1.377 233 H HN 0.611 nan 8.280 nan 0.000 0.504 234 E N 0.486 120.731 120.200 0.075 0.000 2.533 234 E HA -0.076 4.269 4.350 -0.007 0.000 0.201 234 E C 0.651 177.248 176.600 -0.005 0.000 1.097 234 E CA 0.502 56.914 56.400 0.019 0.000 0.887 234 E CB 0.225 29.930 29.700 0.009 0.000 0.855 234 E HN 0.445 nan 8.360 nan 0.000 0.540 235 K N -0.844 119.552 120.400 -0.006 0.000 2.589 235 K HA 0.154 4.470 4.320 -0.007 0.000 0.198 235 K C 0.393 176.967 176.600 -0.043 0.000 1.114 235 K CA 0.215 56.487 56.287 -0.026 0.000 1.070 235 K CB 1.589 34.074 32.500 -0.025 0.000 0.860 235 K HN 0.131 nan 8.250 nan 0.000 0.536 236 G N 2.170 110.940 108.800 -0.050 0.000 2.221 236 G HA2 -0.262 3.693 3.960 -0.007 0.000 0.265 236 G HA3 -0.262 3.693 3.960 -0.007 0.000 0.265 236 G C -0.095 174.740 174.900 -0.107 0.000 1.041 236 G CA 0.081 45.126 45.100 -0.091 0.000 0.807 236 G HN 0.301 nan 8.290 nan 0.000 0.502 237 I N 0.897 121.430 120.570 -0.063 0.000 2.382 237 I HA 0.378 4.544 4.170 -0.007 0.000 0.286 237 I C 0.735 176.829 176.117 -0.039 0.000 1.002 237 I CA -1.031 60.221 61.300 -0.081 0.000 1.135 237 I CB 1.044 39.013 38.000 -0.051 0.000 1.288 237 I HN -0.006 nan 8.210 nan 0.000 0.448 238 R N 4.810 125.210 120.500 -0.167 0.000 2.531 238 R HA 0.562 4.897 4.340 -0.007 0.000 0.273 238 R C -0.753 175.597 176.300 0.082 0.000 1.070 238 R CA -0.634 55.394 56.100 -0.121 0.000 1.112 238 R CB 1.597 31.654 30.300 -0.404 0.000 1.049 238 R HN 0.293 nan 8.270 nan 0.000 0.508 239 V N 3.433 123.461 119.914 0.191 0.000 2.487 239 V HA 0.374 4.490 4.120 -0.007 0.000 0.298 239 V C -0.152 176.108 176.094 0.276 0.000 1.028 239 V CA -0.693 61.739 62.300 0.220 0.000 0.860 239 V CB 1.713 33.560 31.823 0.040 0.000 0.991 239 V HN 0.684 nan 8.190 nan 0.000 0.427 240 M N 6.096 125.904 119.600 0.348 0.000 2.243 240 M HA 0.632 5.108 4.480 -0.007 0.000 0.324 240 M C -1.613 174.698 176.300 0.019 0.000 1.031 240 M CA -0.341 55.051 55.300 0.153 0.000 0.949 240 M CB 1.335 33.969 32.600 0.057 0.000 1.615 240 M HN 0.516 nan 8.290 nan 0.000 0.430 241 L N 2.466 123.563 121.223 -0.210 0.000 2.387 241 L HA 0.484 4.819 4.340 -0.007 0.000 0.266 241 L C -0.136 176.728 176.870 -0.010 0.000 1.059 241 L CA -0.793 53.894 54.840 -0.255 0.000 0.801 241 L CB 1.348 43.043 42.059 -0.606 0.000 1.223 241 L HN 0.672 nan 8.230 nan 0.000 0.456 242 D N 1.284 121.677 120.400 -0.012 0.000 2.317 242 D HA 0.374 5.010 4.640 -0.007 0.000 0.234 242 D C -0.764 175.597 176.300 0.101 0.000 1.112 242 D CA -0.185 53.861 54.000 0.077 0.000 0.840 242 D CB 1.818 42.614 40.800 -0.006 0.000 1.078 242 D HN 0.538 nan 8.370 nan 0.000 0.486 243 A N 3.854 126.716 122.820 0.069 0.000 2.252 243 A HA 0.382 4.698 4.320 -0.007 0.000 0.309 243 A C -0.048 177.314 177.584 -0.369 0.000 1.285 243 A CA -0.606 51.197 52.037 -0.389 0.000 0.900 243 A CB 0.720 18.985 19.000 -1.224 0.000 1.157 243 A HN 0.394 nan 8.150 nan 0.000 0.536 244 V N 4.423 124.307 119.914 -0.050 0.000 2.154 244 V HA 0.148 4.264 4.120 -0.007 0.000 0.265 244 V C 0.077 176.316 176.094 0.242 0.000 1.293 244 V CA -0.041 62.298 62.300 0.064 0.000 1.205 244 V CB -1.017 30.882 31.823 0.127 0.000 1.306 244 V HN 0.843 nan 8.190 nan 0.000 0.479 245 F N 1.359 121.247 119.950 -0.104 0.000 2.698 245 F HA 0.103 4.626 4.527 -0.008 0.000 0.295 245 F C 2.067 177.700 175.800 -0.278 0.000 1.124 245 F CA 0.175 58.028 58.000 -0.246 0.000 1.426 245 F CB -0.834 37.974 39.000 -0.321 0.000 1.120 245 F HN 0.463 nan 8.300 nan 0.000 0.583 246 N N -0.171 118.504 118.700 -0.041 0.000 2.188 246 N HA -0.144 4.592 4.740 -0.007 0.000 0.184 246 N C 0.228 175.792 175.510 0.089 0.000 1.018 246 N CA 1.105 54.158 53.050 0.005 0.000 0.858 246 N CB 0.021 38.583 38.487 0.125 0.000 0.989 246 N HN 0.344 nan 8.380 nan 0.000 0.426 247 H N -2.689 116.459 119.070 0.130 0.000 3.012 247 H HA 0.431 4.983 4.556 -0.007 0.000 0.367 247 H C -0.687 174.724 175.328 0.138 0.000 1.211 247 H CA -1.032 55.100 56.048 0.139 0.000 1.139 247 H CB 0.410 30.263 29.762 0.152 0.000 1.838 247 H HN 0.189 nan 8.280 nan 0.000 0.550 248 C N 0.544 119.957 119.300 0.189 0.000 2.531 248 C HA 0.944 5.400 4.460 -0.007 0.000 0.369 248 C C 1.077 176.118 174.990 0.086 0.000 1.258 248 C CA -0.025 59.024 59.018 0.052 0.000 1.876 248 C CB 0.956 28.563 27.740 -0.221 0.000 2.256 248 C HN 1.030 nan 8.230 nan 0.000 0.510 249 G N -1.175 107.669 108.800 0.073 0.000 2.547 249 G HA2 0.379 4.335 3.960 -0.007 0.000 0.291 249 G HA3 0.379 4.335 3.960 -0.007 0.000 0.291 249 G C -0.192 174.788 174.900 0.133 0.000 1.211 249 G CA -0.268 44.910 45.100 0.130 0.000 0.950 249 G HN 0.924 nan 8.290 nan 0.000 0.504 250 Y N -0.585 119.732 120.300 0.028 0.000 2.293 250 Y HA -0.048 4.498 4.550 -0.007 0.000 0.291 250 Y C 2.567 178.602 175.900 0.225 0.000 1.137 250 Y CA 1.857 60.015 58.100 0.096 0.000 1.202 250 Y CB 0.309 38.793 38.460 0.040 0.000 0.990 250 Y HN 0.595 nan 8.280 nan 0.000 0.537 251 E N -0.527 119.826 120.200 0.255 0.000 2.445 251 E HA -0.046 4.299 4.350 -0.007 0.000 0.189 251 E C -0.511 176.214 176.600 0.208 0.000 1.069 251 E CA -0.387 56.117 56.400 0.173 0.000 0.871 251 E CB -0.300 29.496 29.700 0.160 0.000 0.991 251 E HN 0.155 nan 8.360 nan 0.000 0.481 252 F N 1.417 121.422 119.950 0.092 0.000 2.502 252 F HA 0.138 4.661 4.527 -0.007 0.000 0.371 252 F C 1.296 177.127 175.800 0.051 0.000 1.083 252 F CA -0.594 57.468 58.000 0.103 0.000 1.174 252 F CB 0.391 39.498 39.000 0.178 0.000 1.096 252 F HN -0.041 nan 8.300 nan 0.000 0.545 253 A N 7.665 130.276 122.820 -0.348 0.000 1.894 253 A HA -0.235 4.081 4.320 -0.007 0.000 0.220 253 A C -0.455 176.797 177.584 -0.554 0.000 1.237 253 A CA 2.305 54.105 52.037 -0.395 0.000 0.660 253 A CB -2.166 16.608 19.000 -0.376 0.000 0.835 253 A HN 0.688 nan 8.150 nan 0.000 0.461 254 P HA -0.175 nan 4.420 nan 0.000 0.216 254 P C 1.419 178.585 177.300 -0.224 0.000 1.150 254 P CA 1.427 63.783 63.100 -1.239 0.000 0.843 254 P CB -0.135 30.557 31.700 -1.680 0.000 0.787 255 F N 0.251 120.172 119.950 -0.048 0.000 2.234 255 F HA -0.093 4.430 4.527 -0.008 0.000 0.296 255 F C 2.159 177.827 175.800 -0.219 0.000 1.089 255 F CA 1.345 59.227 58.000 -0.195 0.000 1.343 255 F CB -0.776 38.015 39.000 -0.348 0.000 1.040 255 F HN -0.138 nan 8.300 nan 0.000 0.498 256 Q N -0.286 119.377 119.800 -0.229 0.000 2.181 256 Q HA -0.273 4.063 4.340 -0.007 0.000 0.205 256 Q C 1.735 177.608 176.000 -0.212 0.000 0.980 256 Q CA 1.930 57.563 55.803 -0.283 0.000 0.862 256 Q CB -0.438 28.207 28.738 -0.155 0.000 0.905 256 Q HN 0.485 nan 8.270 nan 0.000 0.429 257 D N -0.277 120.034 120.400 -0.149 0.000 2.117 257 D HA -0.133 4.502 4.640 -0.007 0.000 0.197 257 D C 1.710 177.979 176.300 -0.052 0.000 0.987 257 D CA 0.984 54.956 54.000 -0.047 0.000 0.829 257 D CB 0.218 41.074 40.800 0.094 0.000 0.961 257 D HN 0.027 nan 8.370 nan 0.000 0.460 258 V N -0.577 119.284 119.914 -0.089 0.000 2.379 258 V HA -0.129 3.987 4.120 -0.007 0.000 0.245 258 V C 1.913 177.907 176.094 -0.166 0.000 1.044 258 V CA 1.299 63.560 62.300 -0.065 0.000 1.036 258 V CB -0.793 31.036 31.823 0.010 0.000 0.664 258 V HN 0.373 nan 8.190 nan 0.000 0.453 259 W N 1.074 122.023 121.300 -0.585 0.000 2.525 259 W HA -0.068 4.587 4.660 -0.008 0.000 0.259 259 W C 2.433 178.811 176.519 -0.236 0.000 1.253 259 W CA 1.761 58.817 57.345 -0.483 0.000 1.262 259 W CB 0.162 29.195 29.460 -0.711 0.000 1.122 259 W HN 0.149 nan 8.180 nan 0.000 0.607 260 K N -0.543 119.824 120.400 -0.054 0.000 2.141 260 K HA -0.060 4.255 4.320 -0.007 0.000 0.202 260 K C 1.659 178.209 176.600 -0.084 0.000 1.045 260 K CA 1.264 57.525 56.287 -0.043 0.000 0.971 260 K CB -0.219 32.273 32.500 -0.014 0.000 0.795 260 K HN 0.002 nan 8.250 nan 0.000 0.459 261 N N -0.043 118.612 118.700 -0.075 0.000 2.278 261 N HA 0.056 4.792 4.740 -0.007 0.000 0.181 261 N C 1.163 176.619 175.510 -0.089 0.000 1.023 261 N CA 1.186 54.189 53.050 -0.078 0.000 0.862 261 N CB 0.296 38.741 38.487 -0.070 0.000 1.003 261 N HN 0.399 nan 8.380 nan 0.000 0.431 262 G N 1.432 110.200 108.800 -0.053 0.000 2.475 262 G HA2 -0.285 3.671 3.960 -0.007 0.000 0.223 262 G HA3 -0.285 3.671 3.960 -0.007 0.000 0.223 262 G C -0.197 174.545 174.900 -0.264 0.000 1.201 262 G CA 0.032 45.141 45.100 0.015 0.000 0.962 262 G HN 0.257 nan 8.290 nan 0.000 0.586 263 E N 0.641 120.328 120.200 -0.854 0.000 2.352 263 E HA 0.372 4.718 4.350 -0.007 0.000 0.197 263 E C 1.299 177.584 176.600 -0.525 0.000 1.224 263 E CA 0.816 56.426 56.400 -1.315 0.000 1.118 263 E CB -0.471 28.360 29.700 -1.448 0.000 1.198 263 E HN 0.355 nan 8.360 nan 0.000 0.454 264 S N -1.033 114.479 115.700 -0.313 0.000 2.727 264 S HA -0.006 4.460 4.470 -0.007 0.000 0.249 264 S C 0.353 174.868 174.600 -0.142 0.000 1.079 264 S CA -0.012 58.074 58.200 -0.190 0.000 0.912 264 S CB 0.599 63.711 63.200 -0.147 0.000 0.861 264 S HN 0.379 nan 8.310 nan 0.000 0.484 265 S N 2.921 118.553 115.700 -0.113 0.000 2.563 265 S HA 0.041 4.507 4.470 -0.007 0.000 0.284 265 S C 0.683 175.209 174.600 -0.123 0.000 1.331 265 S CA -0.308 57.840 58.200 -0.087 0.000 1.047 265 S CB 0.258 63.459 63.200 0.001 0.000 0.859 265 S HN 0.549 nan 8.310 nan 0.000 0.514 266 K N 0.433 120.675 120.400 -0.264 0.000 2.525 266 K HA 0.041 4.357 4.320 -0.007 0.000 0.192 266 K C -0.344 175.977 176.600 -0.464 0.000 1.029 266 K CA 0.681 56.744 56.287 -0.372 0.000 1.029 266 K CB -0.359 31.831 32.500 -0.517 0.000 0.814 266 K HN 0.711 nan 8.250 nan 0.000 0.503 267 Y N 1.699 121.914 120.300 -0.141 0.000 2.660 267 Y HA 0.195 4.740 4.550 -0.007 0.000 0.254 267 Y C 1.327 177.285 175.900 0.097 0.000 1.176 267 Y CA -1.113 56.828 58.100 -0.265 0.000 1.195 267 Y CB 0.542 38.703 38.460 -0.498 0.000 1.190 267 Y HN 0.087 nan 8.280 nan 0.000 0.535 268 K N -0.491 120.066 120.400 0.263 0.000 2.057 268 K HA -0.211 4.104 4.320 -0.007 0.000 0.207 268 K C 1.027 177.834 176.600 0.345 0.000 1.049 268 K CA 2.243 58.744 56.287 0.358 0.000 0.931 268 K CB -0.168 32.485 32.500 0.255 0.000 0.714 268 K HN 0.108 nan 8.250 nan 0.000 0.440 269 D N -0.503 120.056 120.400 0.265 0.000 2.349 269 D HA -0.036 4.600 4.640 -0.007 0.000 0.224 269 D C 0.671 177.025 176.300 0.089 0.000 1.029 269 D CA 0.181 54.281 54.000 0.167 0.000 0.879 269 D CB 0.007 40.879 40.800 0.120 0.000 0.906 269 D HN 0.323 nan 8.370 nan 0.000 0.528 270 W N -0.281 120.873 121.300 -0.242 0.000 2.800 270 W HA 0.166 4.822 4.660 -0.008 0.000 0.249 270 W C 0.033 176.028 176.519 -0.874 0.000 1.294 270 W CA 0.142 57.129 57.345 -0.596 0.000 1.402 270 W CB -0.140 28.816 29.460 -0.840 0.000 1.126 270 W HN -0.123 nan 8.180 nan 0.000 0.652 271 F N -2.367 117.712 119.950 0.216 0.000 2.782 271 F HA 0.358 4.881 4.527 -0.007 0.000 0.366 271 F C 0.389 176.122 175.800 -0.111 0.000 1.171 271 F CA -1.541 56.521 58.000 0.104 0.000 1.064 271 F CB 0.279 39.434 39.000 0.257 0.000 1.449 271 F HN -0.365 nan 8.300 nan 0.000 0.520 272 H N 1.936 121.206 119.070 0.334 0.000 2.572 272 H HA 0.450 5.002 4.556 -0.007 0.000 0.248 272 H C -0.836 174.444 175.328 -0.081 0.000 1.397 272 H CA -0.051 56.062 56.048 0.109 0.000 1.319 272 H CB 0.158 29.980 29.762 0.100 0.000 1.452 272 H HN 0.239 nan 8.280 nan 0.000 0.535 273 I N 2.528 123.088 120.570 -0.017 0.000 2.336 273 I HA 0.091 4.257 4.170 -0.007 0.000 0.292 273 I C 1.048 176.995 176.117 -0.284 0.000 0.991 273 I CA -0.586 60.599 61.300 -0.190 0.000 1.227 273 I CB 1.417 39.257 38.000 -0.267 0.000 1.366 273 I HN 0.483 nan 8.210 nan 0.000 0.466 274 H N 4.508 123.591 119.070 0.021 0.000 2.582 274 H HA 0.177 4.729 4.556 -0.006 0.000 0.269 274 H C 0.038 175.348 175.328 -0.030 0.000 0.962 274 H CA 0.342 56.407 56.048 0.029 0.000 1.230 274 H CB 0.523 30.323 29.762 0.063 0.000 1.445 274 H HN 0.709 nan 8.280 nan 0.000 0.528 275 E N -0.492 119.655 120.200 -0.087 0.000 2.416 275 E HA 0.436 4.782 4.350 -0.007 0.000 0.280 275 E C -1.778 174.609 176.600 -0.356 0.000 1.055 275 E CA -0.814 55.534 56.400 -0.087 0.000 0.825 275 E CB 1.465 31.199 29.700 0.056 0.000 1.312 275 E HN -0.140 nan 8.360 nan 0.000 0.452 276 F N 0.915 120.904 119.950 0.065 0.000 2.551 276 F HA 0.529 5.052 4.527 -0.007 0.000 0.316 276 F C -1.827 173.968 175.800 -0.007 0.000 1.089 276 F CA -1.496 56.514 58.000 0.017 0.000 0.915 276 F CB 1.473 40.473 39.000 0.001 0.000 1.186 276 F HN 0.413 nan 8.300 nan 0.000 0.456 277 P HA 0.328 nan 4.420 nan 0.000 0.279 277 P C -1.125 176.148 177.300 -0.045 0.000 1.282 277 P CA -0.489 62.639 63.100 0.047 0.000 0.788 277 P CB 0.864 32.505 31.700 -0.098 0.000 1.139 278 L N 0.319 121.453 121.223 -0.147 0.000 2.380 278 L HA 0.253 4.589 4.340 -0.007 0.000 0.273 278 L C 0.984 177.943 176.870 0.150 0.000 1.138 278 L CA 0.662 55.512 54.840 0.018 0.000 0.832 278 L CB -0.234 41.833 42.059 0.014 0.000 1.124 278 L HN 0.337 nan 8.230 nan 0.000 0.454 279 Q N 0.133 120.145 119.800 0.353 0.000 2.387 279 Q HA 0.447 4.783 4.340 -0.007 0.000 0.273 279 Q C 0.300 176.564 176.000 0.440 0.000 1.089 279 Q CA -0.224 55.780 55.803 0.336 0.000 0.824 279 Q CB 2.197 31.042 28.738 0.179 0.000 1.367 279 Q HN 0.776 nan 8.270 nan 0.000 0.443 280 T N -2.698 112.075 114.554 0.366 0.000 2.990 280 T HA 0.159 4.504 4.350 -0.007 0.000 0.250 280 T C -0.078 174.688 174.700 0.109 0.000 1.041 280 T CA 0.150 62.410 62.100 0.266 0.000 1.010 280 T CB 0.267 69.297 68.868 0.269 0.000 1.003 280 T HN 0.596 nan 8.240 nan 0.000 0.499 281 E N -0.214 120.043 120.200 0.096 0.000 2.437 281 E HA 0.513 4.859 4.350 -0.007 0.000 0.280 281 E C -2.578 174.037 176.600 0.025 0.000 1.044 281 E CA -1.870 54.551 56.400 0.034 0.000 0.826 281 E CB -0.192 29.522 29.700 0.024 0.000 1.358 281 E HN -0.223 nan 8.360 nan 0.000 0.459 282 P HA -0.141 nan 4.420 nan 0.000 0.218 282 P C -0.503 176.753 177.300 -0.074 0.000 1.154 282 P CA 1.339 64.410 63.100 -0.047 0.000 0.872 282 P CB 0.211 31.871 31.700 -0.066 0.000 0.790 283 R N -2.127 118.334 120.500 -0.066 0.000 2.725 283 R HA 0.406 4.742 4.340 -0.007 0.000 0.277 283 R C -2.772 173.507 176.300 -0.036 0.000 0.987 283 R CA -2.395 53.662 56.100 -0.072 0.000 0.901 283 R CB 1.508 31.720 30.300 -0.147 0.000 1.207 283 R HN -0.170 nan 8.270 nan 0.000 0.463 284 P HA -0.033 nan 4.420 nan 0.000 0.267 284 P C -0.399 176.803 177.300 -0.163 0.000 1.200 284 P CA 0.026 62.945 63.100 -0.302 0.000 0.772 284 P CB 0.473 31.644 31.700 -0.881 0.000 0.855 285 N N 1.231 119.936 118.700 0.007 0.000 2.346 285 N HA 0.055 4.791 4.740 -0.007 0.000 0.225 285 N C -0.768 174.918 175.510 0.294 0.000 1.144 285 N CA -0.360 52.800 53.050 0.184 0.000 0.837 285 N CB -0.747 37.847 38.487 0.177 0.000 1.069 285 N HN 0.413 nan 8.380 nan 0.000 0.487 286 Y N -3.422 116.992 120.300 0.189 0.000 2.544 286 Y HA 0.525 5.071 4.550 -0.006 0.000 0.342 286 Y C -0.810 175.177 175.900 0.146 0.000 1.062 286 Y CA -1.712 56.415 58.100 0.045 0.000 1.023 286 Y CB 0.776 39.294 38.460 0.096 0.000 1.308 286 Y HN -0.229 nan 8.280 nan 0.000 0.457 287 D N 2.169 122.710 120.400 0.235 0.000 2.423 287 D HA 0.360 4.995 4.640 -0.007 0.000 0.238 287 D C 0.140 176.554 176.300 0.189 0.000 1.142 287 D CA 1.037 55.144 54.000 0.178 0.000 0.884 287 D CB 1.547 42.415 40.800 0.114 0.000 1.199 287 D HN 0.861 nan 8.370 nan 0.000 0.438 288 T N -1.995 112.579 114.554 0.034 0.000 2.731 288 T HA 0.357 4.703 4.350 -0.007 0.000 0.300 288 T C -0.576 174.075 174.700 -0.082 0.000 1.283 288 T CA -0.987 61.133 62.100 0.034 0.000 1.005 288 T CB 0.635 69.494 68.868 -0.015 0.000 1.420 288 T HN 0.155 nan 8.240 nan 0.000 0.503 289 F N 2.566 122.355 119.950 -0.268 0.000 2.495 289 F HA 0.547 5.070 4.527 -0.006 0.000 0.365 289 F C 1.155 176.747 175.800 -0.346 0.000 1.090 289 F CA 0.528 58.299 58.000 -0.381 0.000 1.235 289 F CB -0.343 38.184 39.000 -0.790 0.000 1.119 289 F HN 1.352 nan 8.300 nan 0.000 0.562 290 A N 4.932 126.998 122.820 -1.256 0.000 5.395 290 A HA -0.346 3.969 4.320 -0.007 0.000 0.324 290 A C 0.472 177.473 177.584 -0.973 0.000 1.813 290 A CA 1.950 53.301 52.037 -1.143 0.000 0.714 290 A CB -1.721 16.585 19.000 -1.157 0.000 1.374 290 A HN 0.978 nan 8.150 nan 0.000 0.390 291 F N -1.007 118.746 119.950 -0.329 0.000 2.814 291 F HA 0.397 4.920 4.527 -0.007 0.000 0.326 291 F C 0.254 175.959 175.800 -0.159 0.000 1.159 291 F CA -0.160 57.714 58.000 -0.210 0.000 1.234 291 F CB 1.088 39.983 39.000 -0.174 0.000 1.016 291 F HN 0.277 nan 8.300 nan 0.000 0.510 292 V N 3.100 122.986 119.914 -0.048 0.000 2.446 292 V HA 0.029 4.145 4.120 -0.007 0.000 0.276 292 V C -1.445 174.669 176.094 0.033 0.000 1.030 292 V CA -0.831 61.477 62.300 0.012 0.000 1.033 292 V CB 1.052 32.909 31.823 0.056 0.000 0.993 292 V HN 0.060 nan 8.190 nan 0.000 0.477 293 P HA -0.090 nan 4.420 nan 0.000 0.221 293 P C 1.058 178.476 177.300 0.198 0.000 1.150 293 P CA 0.732 63.908 63.100 0.128 0.000 0.800 293 P CB 0.200 31.957 31.700 0.095 0.000 0.787 294 Q N -1.450 118.393 119.800 0.073 0.000 2.444 294 Q HA 0.146 4.482 4.340 -0.007 0.000 0.206 294 Q C 0.559 176.626 176.000 0.111 0.000 0.948 294 Q CA 0.724 56.582 55.803 0.092 0.000 0.946 294 Q CB -0.422 28.326 28.738 0.016 0.000 1.027 294 Q HN 0.314 nan 8.270 nan 0.000 0.513 295 M N 1.881 121.534 119.600 0.088 0.000 2.488 295 M HA 0.299 4.775 4.480 -0.007 0.000 0.204 295 M C -2.538 173.807 176.300 0.075 0.000 0.969 295 M CA -1.709 53.636 55.300 0.075 0.000 0.720 295 M CB 1.451 34.041 32.600 -0.016 0.000 1.427 295 M HN -0.208 nan 8.290 nan 0.000 0.427 296 P HA 0.059 nan 4.420 nan 0.000 0.271 296 P C -0.732 176.709 177.300 0.236 0.000 1.220 296 P CA 0.003 63.137 63.100 0.057 0.000 0.768 296 P CB 0.787 32.142 31.700 -0.575 0.000 0.848 297 K N 4.228 124.831 120.400 0.337 0.000 2.451 297 K HA 0.123 4.438 4.320 -0.007 0.000 0.280 297 K C -0.150 176.742 176.600 0.486 0.000 1.020 297 K CA -0.265 56.256 56.287 0.389 0.000 1.008 297 K CB 0.039 32.730 32.500 0.318 0.000 0.917 297 K HN 0.464 nan 8.250 nan 0.000 0.478 298 L N 3.305 124.727 121.223 0.332 0.000 2.418 298 L HA 0.121 4.457 4.340 -0.007 0.000 0.265 298 L C 0.421 177.334 176.870 0.071 0.000 1.143 298 L CA -0.618 54.330 54.840 0.179 0.000 0.809 298 L CB 0.784 42.833 42.059 -0.017 0.000 1.124 298 L HN 0.679 nan 8.230 nan 0.000 0.456 299 N N 0.190 118.796 118.700 -0.157 0.000 2.767 299 N HA 0.040 4.775 4.740 -0.007 0.000 0.238 299 N C 0.838 176.201 175.510 -0.245 0.000 1.083 299 N CA -0.306 52.597 53.050 -0.244 0.000 0.964 299 N CB 0.569 38.801 38.487 -0.426 0.000 1.252 299 N HN 0.605 nan 8.380 nan 0.000 0.512 300 T N -0.873 113.548 114.554 -0.222 0.000 3.155 300 T HA -0.011 4.335 4.350 -0.007 0.000 0.264 300 T C 1.335 175.951 174.700 -0.140 0.000 1.160 300 T CA 0.683 62.581 62.100 -0.338 0.000 1.075 300 T CB -0.057 68.451 68.868 -0.601 0.000 0.921 300 T HN 0.341 nan 8.240 nan 0.000 0.533 301 A N 1.405 124.168 122.820 -0.095 0.000 2.095 301 A HA 0.207 4.523 4.320 -0.007 0.000 0.212 301 A C 1.277 178.818 177.584 -0.073 0.000 1.162 301 A CA -0.279 51.738 52.037 -0.034 0.000 0.753 301 A CB -0.221 18.782 19.000 0.006 0.000 0.840 301 A HN 0.529 nan 8.150 nan 0.000 0.468 302 N N 1.336 119.941 118.700 -0.157 0.000 2.452 302 N HA 0.045 4.781 4.740 -0.007 0.000 0.266 302 N C -1.649 173.732 175.510 -0.214 0.000 1.175 302 N CA -1.250 51.679 53.050 -0.202 0.000 0.945 302 N CB 1.285 39.573 38.487 -0.332 0.000 1.063 302 N HN 0.074 nan 8.380 nan 0.000 0.472 303 P HA -0.168 nan 4.420 nan 0.000 0.217 303 P C 0.552 177.767 177.300 -0.141 0.000 1.148 303 P CA 1.467 64.511 63.100 -0.094 0.000 0.828 303 P CB 0.476 32.151 31.700 -0.043 0.000 0.783 304 E N -0.294 119.768 120.200 -0.229 0.000 2.028 304 E HA -0.076 4.270 4.350 -0.007 0.000 0.190 304 E C 2.261 178.503 176.600 -0.597 0.000 0.984 304 E CA 0.790 57.031 56.400 -0.266 0.000 0.800 304 E CB -0.565 29.068 29.700 -0.112 0.000 0.758 304 E HN 0.002 nan 8.360 nan 0.000 0.448 305 V N 2.062 121.339 119.914 -1.062 0.000 2.287 305 V HA -0.311 3.804 4.120 -0.007 0.000 0.248 305 V C 2.460 178.284 176.094 -0.450 0.000 1.053 305 V CA 1.966 63.635 62.300 -1.051 0.000 1.027 305 V CB -0.464 30.821 31.823 -0.898 0.000 0.646 305 V HN 0.242 nan 8.190 nan 0.000 0.447 306 K N -0.139 120.100 120.400 -0.268 0.000 2.032 306 K HA -0.282 4.034 4.320 -0.007 0.000 0.209 306 K C 2.367 178.993 176.600 0.044 0.000 1.048 306 K CA 1.981 58.279 56.287 0.019 0.000 0.927 306 K CB -0.152 32.397 32.500 0.082 0.000 0.712 306 K HN 0.205 nan 8.250 nan 0.000 0.441 307 R N 0.192 120.682 120.500 -0.016 0.000 2.070 307 R HA -0.192 4.143 4.340 -0.007 0.000 0.233 307 R C 2.237 178.578 176.300 0.069 0.000 1.137 307 R CA 1.961 58.077 56.100 0.027 0.000 0.945 307 R CB -1.220 29.101 30.300 0.034 0.000 0.845 307 R HN 0.394 nan 8.270 nan 0.000 0.430 308 Y N 0.575 120.842 120.300 -0.054 0.000 2.128 308 Y HA -0.201 4.345 4.550 -0.007 0.000 0.284 308 Y C 1.794 177.640 175.900 -0.089 0.000 1.154 308 Y CA 2.124 60.247 58.100 0.038 0.000 1.149 308 Y CB -0.336 38.182 38.460 0.098 0.000 0.976 308 Y HN 0.079 nan 8.280 nan 0.000 0.505 309 L N -0.518 120.670 121.223 -0.059 0.000 2.046 309 L HA -0.237 4.099 4.340 -0.007 0.000 0.208 309 L C 2.448 179.156 176.870 -0.270 0.000 1.077 309 L CA 1.196 55.736 54.840 -0.500 0.000 0.747 309 L CB -0.647 40.956 42.059 -0.761 0.000 0.896 309 L HN 0.289 nan 8.230 nan 0.000 0.432 310 L N -0.582 120.631 121.223 -0.016 0.000 2.201 310 L HA -0.183 4.153 4.340 -0.007 0.000 0.212 310 L C 2.113 179.001 176.870 0.030 0.000 1.105 310 L CA 0.751 55.601 54.840 0.017 0.000 0.775 310 L CB -0.532 41.515 42.059 -0.020 0.000 0.913 310 L HN 0.287 nan 8.230 nan 0.000 0.440 311 D N -0.322 120.094 120.400 0.027 0.000 2.117 311 D HA -0.126 4.510 4.640 -0.007 0.000 0.198 311 D C 2.350 178.783 176.300 0.221 0.000 0.982 311 D CA 1.019 55.093 54.000 0.122 0.000 0.828 311 D CB -0.021 40.858 40.800 0.130 0.000 0.967 311 D HN 0.083 nan 8.370 nan 0.000 0.464 312 V N 1.642 121.556 119.914 -0.000 0.000 2.295 312 V HA -0.251 3.864 4.120 -0.007 0.000 0.246 312 V C 2.575 178.988 176.094 0.531 0.000 1.049 312 V CA 1.822 64.151 62.300 0.049 0.000 1.024 312 V CB -0.804 30.873 31.823 -0.244 0.000 0.648 312 V HN 0.167 nan 8.190 nan 0.000 0.447 313 A N 0.821 123.860 122.820 0.366 0.000 1.883 313 A HA -0.272 4.043 4.320 -0.007 0.000 0.217 313 A C 2.510 180.437 177.584 0.571 0.000 1.186 313 A CA 2.971 55.222 52.037 0.357 0.000 0.624 313 A CB -1.085 17.905 19.000 -0.017 0.000 0.822 313 A HN 0.651 nan 8.150 nan 0.000 0.444 314 T N -3.939 110.822 114.554 0.346 0.000 2.851 314 T HA -0.168 4.178 4.350 -0.007 0.000 0.262 314 T C 1.842 176.756 174.700 0.355 0.000 1.043 314 T CA 1.397 63.678 62.100 0.302 0.000 1.140 314 T CB -0.657 68.313 68.868 0.170 0.000 0.872 314 T HN 0.409 nan 8.240 nan 0.000 0.446 315 Y N 1.566 122.028 120.300 0.270 0.000 2.030 315 Y HA -0.267 4.279 4.550 -0.007 0.000 0.272 315 Y C 1.967 177.969 175.900 0.171 0.000 1.185 315 Y CA 1.390 59.586 58.100 0.161 0.000 1.120 315 Y CB -0.940 37.609 38.460 0.148 0.000 0.955 315 Y HN 0.284 nan 8.280 nan 0.000 0.495 316 W N -0.016 121.463 121.300 0.297 0.000 2.425 316 W HA -0.094 4.561 4.660 -0.007 0.000 0.277 316 W C 2.369 179.003 176.519 0.193 0.000 1.231 316 W CA 1.178 58.670 57.345 0.245 0.000 1.248 316 W CB -0.450 29.252 29.460 0.402 0.000 1.117 316 W HN 0.083 nan 8.180 nan 0.000 0.568 317 I N -0.104 120.698 120.570 0.387 0.000 2.233 317 I HA -0.226 3.939 4.170 -0.007 0.000 0.243 317 I C 2.708 178.908 176.117 0.138 0.000 1.093 317 I CA 1.287 62.732 61.300 0.241 0.000 1.380 317 I CB -0.598 37.559 38.000 0.261 0.000 1.067 317 I HN -0.092 nan 8.210 nan 0.000 0.413 318 R N 0.903 121.453 120.500 0.084 0.000 2.073 318 R HA -0.167 4.169 4.340 -0.007 0.000 0.234 318 R C 2.243 178.485 176.300 -0.097 0.000 1.134 318 R CA 1.463 57.564 56.100 0.002 0.000 0.952 318 R CB 0.033 30.335 30.300 0.004 0.000 0.850 318 R HN 0.255 nan 8.270 nan 0.000 0.433 319 E N -0.291 119.768 120.200 -0.235 0.000 2.046 319 E HA -0.136 4.210 4.350 -0.007 0.000 0.190 319 E C 1.674 177.955 176.600 -0.532 0.000 0.982 319 E CA 1.285 57.396 56.400 -0.482 0.000 0.800 319 E CB -0.089 29.089 29.700 -0.869 0.000 0.756 319 E HN 0.392 nan 8.360 nan 0.000 0.449 320 F N 0.106 120.021 119.950 -0.060 0.000 2.704 320 F HA 0.145 4.668 4.527 -0.007 0.000 0.304 320 F C 0.276 176.105 175.800 0.048 0.000 1.094 320 F CA -0.131 57.886 58.000 0.028 0.000 1.275 320 F CB 0.427 39.504 39.000 0.127 0.000 1.073 320 F HN -0.145 nan 8.300 nan 0.000 0.586 321 D N 2.043 122.555 120.400 0.185 0.000 2.746 321 D HA -0.203 4.433 4.640 -0.007 0.000 0.236 321 D C 0.121 176.544 176.300 0.205 0.000 1.129 321 D CA 0.427 54.528 54.000 0.169 0.000 0.691 321 D CB -1.139 39.766 40.800 0.175 0.000 1.077 321 D HN 0.463 nan 8.370 nan 0.000 0.432 322 I N -3.224 117.440 120.570 0.157 0.000 2.882 322 I HA 0.223 4.389 4.170 -0.007 0.000 0.286 322 I C 0.828 177.002 176.117 0.095 0.000 1.139 322 I CA -0.082 61.266 61.300 0.079 0.000 1.379 322 I CB 0.710 38.655 38.000 -0.093 0.000 1.410 322 I HN -0.142 nan 8.210 nan 0.000 0.594 323 D N 3.177 123.663 120.400 0.142 0.000 2.398 323 D HA 0.277 4.913 4.640 -0.007 0.000 0.210 323 D C 0.519 177.080 176.300 0.436 0.000 1.094 323 D CA 0.199 54.342 54.000 0.237 0.000 0.839 323 D CB 1.179 42.035 40.800 0.094 0.000 0.963 323 D HN 0.860 nan 8.370 nan 0.000 0.506 324 G N 0.460 109.398 108.800 0.230 0.000 2.655 324 G HA2 0.347 4.303 3.960 -0.007 0.000 0.296 324 G HA3 0.347 4.303 3.960 -0.007 0.000 0.296 324 G C -2.226 172.646 174.900 -0.046 0.000 1.485 324 G CA -0.909 44.325 45.100 0.224 0.000 0.869 324 G HN 0.020 nan 8.290 nan 0.000 0.540 325 W N 2.206 123.514 121.300 0.013 0.000 2.411 325 W HA 0.558 5.213 4.660 -0.007 0.000 0.317 325 W C 0.478 176.787 176.519 -0.349 0.000 1.030 325 W CA -1.039 56.264 57.345 -0.069 0.000 1.239 325 W CB 1.815 31.355 29.460 0.132 0.000 1.304 325 W HN 0.321 nan 8.180 nan 0.000 0.437 326 R N 5.345 125.778 120.500 -0.111 0.000 2.205 326 R HA 0.279 4.614 4.340 -0.007 0.000 0.342 326 R C -0.866 175.233 176.300 -0.336 0.000 1.058 326 R CA -0.359 55.464 56.100 -0.462 0.000 0.904 326 R CB 0.206 30.087 30.300 -0.697 0.000 1.089 326 R HN 0.684 nan 8.270 nan 0.000 0.471 327 L N 4.528 125.431 121.223 -0.533 0.000 2.363 327 L HA 0.137 4.472 4.340 -0.007 0.000 0.286 327 L C 0.476 177.142 176.870 -0.340 0.000 1.106 327 L CA -0.479 54.043 54.840 -0.531 0.000 0.859 327 L CB 0.196 41.681 42.059 -0.956 0.000 1.223 327 L HN 0.488 nan 8.230 nan 0.000 0.446 328 D N 2.715 123.016 120.400 -0.165 0.000 2.458 328 D HA 0.084 4.720 4.640 -0.007 0.000 0.243 328 D C 0.733 177.006 176.300 -0.045 0.000 1.146 328 D CA 0.025 54.002 54.000 -0.039 0.000 0.877 328 D CB 0.840 41.703 40.800 0.104 0.000 1.176 328 D HN 0.317 nan 8.370 nan 0.000 0.461 329 V N 2.881 122.775 119.914 -0.032 0.000 5.359 329 V HA -0.321 3.794 4.120 -0.007 0.000 0.278 329 V C 1.665 177.798 176.094 0.065 0.000 0.622 329 V CA 0.941 63.259 62.300 0.030 0.000 0.649 329 V CB -2.515 29.376 31.823 0.113 0.000 0.408 329 V HN 0.741 nan 8.190 nan 0.000 0.918 330 A N 1.703 124.499 122.820 -0.039 0.000 1.902 330 A HA -0.230 4.086 4.320 -0.007 0.000 0.217 330 A C 1.934 179.598 177.584 0.134 0.000 1.181 330 A CA 2.047 54.106 52.037 0.037 0.000 0.623 330 A CB -0.595 18.108 19.000 -0.496 0.000 0.818 330 A HN 1.080 nan 8.150 nan 0.000 0.443 331 N N -0.456 118.129 118.700 -0.191 0.000 2.348 331 N HA -0.196 4.540 4.740 -0.007 0.000 0.185 331 N C 1.217 176.845 175.510 0.197 0.000 1.019 331 N CA 1.327 54.217 53.050 -0.267 0.000 0.880 331 N CB -0.309 37.981 38.487 -0.328 0.000 0.965 331 N HN 0.640 nan 8.380 nan 0.000 0.437 332 E N -0.092 120.226 120.200 0.197 0.000 2.489 332 E HA 0.189 4.534 4.350 -0.007 0.000 0.193 332 E C -0.007 176.707 176.600 0.190 0.000 1.057 332 E CA -0.061 56.455 56.400 0.193 0.000 0.866 332 E CB 0.342 30.134 29.700 0.153 0.000 0.916 332 E HN 0.470 nan 8.360 nan 0.000 0.500 333 I N 1.988 122.728 120.570 0.283 0.000 2.498 333 I HA 0.055 4.221 4.170 -0.007 0.000 0.301 333 I C 0.134 176.330 176.117 0.133 0.000 0.984 333 I CA -1.039 60.318 61.300 0.096 0.000 1.204 333 I CB 1.254 39.165 38.000 -0.148 0.000 1.362 333 I HN 0.013 nan 8.210 nan 0.000 0.471 334 D N 3.201 123.597 120.400 -0.007 0.000 2.378 334 D HA -0.040 4.596 4.640 -0.007 0.000 0.238 334 D C 0.936 177.302 176.300 0.111 0.000 1.180 334 D CA -0.071 53.959 54.000 0.049 0.000 0.895 334 D CB 0.639 41.479 40.800 0.067 0.000 1.192 334 D HN 0.419 nan 8.370 nan 0.000 0.438 335 H N 0.117 119.339 119.070 0.254 0.000 2.423 335 H HA -0.108 4.444 4.556 -0.007 0.000 0.297 335 H C 1.643 177.094 175.328 0.205 0.000 1.075 335 H CA 1.477 57.683 56.048 0.263 0.000 1.342 335 H CB 0.042 29.846 29.762 0.071 0.000 1.395 335 H HN 0.751 nan 8.280 nan 0.000 0.530 336 E N 0.462 120.814 120.200 0.252 0.000 2.058 336 E HA -0.193 4.153 4.350 -0.007 0.000 0.194 336 E C 2.030 178.714 176.600 0.140 0.000 0.997 336 E CA 0.831 57.330 56.400 0.166 0.000 0.801 336 E CB -0.192 29.581 29.700 0.121 0.000 0.746 336 E HN 0.300 nan 8.360 nan 0.000 0.450 337 F N -0.123 119.815 119.950 -0.020 0.000 2.102 337 F HA -0.163 4.360 4.527 -0.007 0.000 0.298 337 F C 1.680 177.505 175.800 0.042 0.000 1.105 337 F CA 1.755 59.692 58.000 -0.105 0.000 1.239 337 F CB -0.486 38.300 39.000 -0.356 0.000 0.991 337 F HN 0.106 nan 8.300 nan 0.000 0.474 338 W N 0.490 121.986 121.300 0.326 0.000 2.392 338 W HA -0.114 4.541 4.660 -0.008 0.000 0.279 338 W C 2.572 179.227 176.519 0.226 0.000 1.225 338 W CA 0.675 58.212 57.345 0.320 0.000 1.233 338 W CB -0.299 29.425 29.460 0.439 0.000 1.122 338 W HN -0.106 nan 8.180 nan 0.000 0.561 339 R N 0.436 121.141 120.500 0.342 0.000 2.062 339 R HA -0.128 4.208 4.340 -0.007 0.000 0.231 339 R C 1.974 178.355 176.300 0.135 0.000 1.136 339 R CA 1.676 57.909 56.100 0.220 0.000 0.948 339 R CB -0.531 29.858 30.300 0.148 0.000 0.845 339 R HN 0.229 nan 8.270 nan 0.000 0.430 340 E N -0.085 120.128 120.200 0.023 0.000 2.085 340 E HA -0.240 4.106 4.350 -0.007 0.000 0.194 340 E C 1.740 178.305 176.600 -0.058 0.000 0.994 340 E CA 1.307 57.672 56.400 -0.058 0.000 0.801 340 E CB -0.197 29.408 29.700 -0.159 0.000 0.743 340 E HN 0.225 nan 8.360 nan 0.000 0.453 341 F N 1.759 121.553 119.950 -0.260 0.000 2.065 341 F HA -0.267 4.256 4.527 -0.007 0.000 0.298 341 F C 2.560 178.410 175.800 0.083 0.000 1.112 341 F CA 1.853 59.779 58.000 -0.122 0.000 1.212 341 F CB -0.027 39.003 39.000 0.050 0.000 0.975 341 F HN -0.183 nan 8.300 nan 0.000 0.476 342 R N 0.100 120.844 120.500 0.407 0.000 2.081 342 R HA -0.200 4.136 4.340 -0.007 0.000 0.235 342 R C 2.276 178.643 176.300 0.112 0.000 1.131 342 R CA 1.971 58.246 56.100 0.291 0.000 0.960 342 R CB -0.375 30.105 30.300 0.300 0.000 0.856 342 R HN 0.458 nan 8.270 nan 0.000 0.436 343 Q N 0.128 119.974 119.800 0.078 0.000 2.002 343 Q HA -0.197 4.139 4.340 -0.007 0.000 0.204 343 Q C 2.058 178.061 176.000 0.004 0.000 0.988 343 Q CA 2.044 57.869 55.803 0.037 0.000 0.843 343 Q CB -0.069 28.685 28.738 0.027 0.000 0.908 343 Q HN 0.461 nan 8.270 nan 0.000 0.420 344 E N -0.188 119.989 120.200 -0.040 0.000 2.110 344 E HA -0.171 4.174 4.350 -0.007 0.000 0.193 344 E C 2.103 178.674 176.600 -0.049 0.000 0.988 344 E CA 1.264 57.632 56.400 -0.053 0.000 0.804 344 E CB 0.030 29.675 29.700 -0.090 0.000 0.745 344 E HN 0.147 nan 8.360 nan 0.000 0.458 345 V N 1.597 121.450 119.914 -0.103 0.000 2.307 345 V HA -0.202 3.913 4.120 -0.007 0.000 0.245 345 V C 2.148 178.276 176.094 0.057 0.000 1.045 345 V CA 1.471 63.749 62.300 -0.036 0.000 1.024 345 V CB -0.260 31.504 31.823 -0.098 0.000 0.651 345 V HN 0.138 nan 8.190 nan 0.000 0.449 346 K N 0.251 120.688 120.400 0.061 0.000 2.217 346 K HA 0.052 4.368 4.320 -0.007 0.000 0.202 346 K C 2.196 178.831 176.600 0.058 0.000 1.051 346 K CA 1.282 57.614 56.287 0.076 0.000 0.952 346 K CB -0.570 31.972 32.500 0.071 0.000 0.736 346 K HN 0.464 nan 8.250 nan 0.000 0.453 347 A N 1.544 124.389 122.820 0.042 0.000 1.873 347 A HA -0.143 4.172 4.320 -0.007 0.000 0.215 347 A C 2.195 179.803 177.584 0.041 0.000 1.186 347 A CA 1.194 53.252 52.037 0.035 0.000 0.616 347 A CB -0.560 18.454 19.000 0.024 0.000 0.823 347 A HN 0.221 nan 8.150 nan 0.000 0.442 348 L N -1.106 120.145 121.223 0.046 0.000 2.046 348 L HA 0.076 4.411 4.340 -0.007 0.000 0.208 348 L C 0.947 177.856 176.870 0.065 0.000 1.077 348 L CA 2.263 57.136 54.840 0.056 0.000 0.747 348 L CB -0.117 41.985 42.059 0.071 0.000 0.896 348 L HN 0.402 nan 8.230 nan 0.000 0.432 349 K N -0.976 119.473 120.400 0.082 0.000 2.767 349 K HA 0.208 4.524 4.320 -0.007 0.000 0.286 349 K C -2.245 174.426 176.600 0.117 0.000 1.177 349 K CA -0.889 55.454 56.287 0.093 0.000 1.078 349 K CB 1.252 33.816 32.500 0.106 0.000 1.358 349 K HN -0.154 nan 8.250 nan 0.000 0.531 350 P HA -0.186 nan 4.420 nan 0.000 0.218 350 P C 0.257 177.654 177.300 0.162 0.000 1.146 350 P CA 1.167 64.332 63.100 0.108 0.000 0.820 350 P CB 0.363 32.110 31.700 0.078 0.000 0.778 351 D N -0.567 119.958 120.400 0.209 0.000 2.347 351 D HA -0.003 4.632 4.640 -0.007 0.000 0.215 351 D C 0.421 177.031 176.300 0.516 0.000 0.976 351 D CA 0.202 54.431 54.000 0.381 0.000 0.884 351 D CB -0.388 40.605 40.800 0.322 0.000 0.915 351 D HN 0.014 nan 8.370 nan 0.000 0.526 352 V N 1.759 121.889 119.914 0.359 0.000 2.585 352 V HA -0.142 3.974 4.120 -0.007 0.000 0.296 352 V C 0.138 176.477 176.094 0.409 0.000 1.035 352 V CA -0.322 62.219 62.300 0.401 0.000 1.084 352 V CB 0.039 32.045 31.823 0.305 0.000 0.953 352 V HN 0.088 nan 8.190 nan 0.000 0.483 353 Y N 6.176 126.651 120.300 0.290 0.000 2.436 353 Y HA 0.432 4.978 4.550 -0.007 0.000 0.343 353 Y C 0.255 176.180 175.900 0.040 0.000 1.008 353 Y CA -1.248 56.897 58.100 0.075 0.000 1.241 353 Y CB 0.532 39.016 38.460 0.041 0.000 1.153 353 Y HN 0.532 nan 8.280 nan 0.000 0.521 354 I N 8.808 129.293 120.570 -0.141 0.000 2.310 354 I HA 0.141 4.306 4.170 -0.007 0.000 0.287 354 I C -0.953 174.751 176.117 -0.687 0.000 1.073 354 I CA -0.644 60.515 61.300 -0.236 0.000 1.216 354 I CB 0.500 38.523 38.000 0.038 0.000 1.415 354 I HN 0.430 nan 8.210 nan 0.000 0.480 355 L N 6.607 127.271 121.223 -0.933 0.000 2.265 355 L HA 0.718 5.054 4.340 -0.007 0.000 0.289 355 L C 0.283 176.533 176.870 -1.034 0.000 1.033 355 L CA 0.086 54.272 54.840 -1.090 0.000 0.814 355 L CB 1.236 42.481 42.059 -1.358 0.000 1.203 355 L HN 0.464 nan 8.230 nan 0.000 0.423 356 G N 3.415 111.554 108.800 -1.101 0.000 2.367 356 G HA2 0.284 4.240 3.960 -0.007 0.000 0.314 356 G HA3 0.284 4.240 3.960 -0.007 0.000 0.314 356 G C -0.897 173.636 174.900 -0.611 0.000 1.130 356 G CA -0.519 43.890 45.100 -1.151 0.000 0.864 356 G HN 0.688 nan 8.290 nan 0.000 0.486 357 E N 2.174 122.101 120.200 -0.455 0.000 2.003 357 E HA 0.289 4.635 4.350 -0.007 0.000 0.279 357 E C -0.625 175.892 176.600 -0.139 0.000 1.132 357 E CA -0.088 56.184 56.400 -0.213 0.000 0.888 357 E CB 0.221 29.878 29.700 -0.072 0.000 1.056 357 E HN 0.306 nan 8.360 nan 0.000 0.399 358 I N 4.795 125.290 120.570 -0.124 0.000 2.534 358 I HA 0.112 4.277 4.170 -0.007 0.000 0.286 358 I C -0.278 175.827 176.117 -0.020 0.000 1.094 358 I CA -0.804 60.381 61.300 -0.193 0.000 1.055 358 I CB 1.089 38.813 38.000 -0.459 0.000 1.225 358 I HN 0.657 nan 8.210 nan 0.000 0.435 359 W N 3.003 124.161 121.300 -0.237 0.000 2.658 359 W HA -0.006 4.650 4.660 -0.006 0.000 0.263 359 W C 1.348 177.883 176.519 0.027 0.000 1.274 359 W CA 0.343 57.656 57.345 -0.054 0.000 1.343 359 W CB -0.425 28.916 29.460 -0.198 0.000 1.106 359 W HN 0.582 nan 8.180 nan 0.000 0.615 360 H N -2.327 116.920 119.070 0.296 0.000 2.669 360 H HA 0.323 4.875 4.556 -0.007 0.000 0.318 360 H C -0.221 175.261 175.328 0.258 0.000 1.429 360 H CA -1.261 54.931 56.048 0.241 0.000 1.460 360 H CB -0.215 29.662 29.762 0.191 0.000 1.784 360 H HN -0.325 nan 8.280 nan 0.000 0.750 361 D N -0.604 120.092 120.400 0.493 0.000 2.581 361 D HA 0.065 4.701 4.640 -0.007 0.000 0.238 361 D C 0.023 176.686 176.300 0.605 0.000 1.145 361 D CA 0.733 54.993 54.000 0.433 0.000 0.866 361 D CB 0.219 41.197 40.800 0.296 0.000 1.151 361 D HN 0.747 nan 8.370 nan 0.000 0.500 362 A N 4.408 127.582 122.820 0.590 0.000 2.594 362 A HA 0.115 4.431 4.320 -0.007 0.000 0.287 362 A C 1.555 179.492 177.584 0.588 0.000 1.227 362 A CA -0.293 52.128 52.037 0.640 0.000 0.952 362 A CB -0.172 19.020 19.000 0.320 0.000 1.161 362 A HN 0.594 nan 8.150 nan 0.000 0.524 363 M N 1.217 121.138 119.600 0.536 0.000 2.143 363 M HA -0.079 4.397 4.480 -0.007 0.000 0.258 363 M C -1.253 175.134 176.300 0.145 0.000 1.071 363 M CA 1.944 57.447 55.300 0.338 0.000 1.088 363 M CB -1.095 31.676 32.600 0.284 0.000 1.360 363 M HN 0.175 nan 8.290 nan 0.000 0.404 364 P HA -0.147 nan 4.420 nan 0.000 0.222 364 P C 0.694 177.740 177.300 -0.423 0.000 1.147 364 P CA 1.299 64.210 63.100 -0.314 0.000 0.790 364 P CB -0.273 31.053 31.700 -0.623 0.000 0.780 365 W N -1.822 119.444 121.300 -0.056 0.000 3.127 365 W HA 0.348 5.003 4.660 -0.008 0.000 0.344 365 W C 0.370 176.727 176.519 -0.271 0.000 1.151 365 W CA 0.069 57.212 57.345 -0.338 0.000 1.765 365 W CB 0.282 29.294 29.460 -0.747 0.000 1.085 365 W HN -0.070 nan 8.180 nan 0.000 0.596 366 L N 0.249 121.521 121.223 0.081 0.000 3.209 366 L HA 0.297 4.633 4.340 -0.007 0.000 0.279 366 L C 1.451 178.360 176.870 0.066 0.000 1.301 366 L CA -0.039 54.856 54.840 0.092 0.000 1.004 366 L CB 0.076 42.072 42.059 -0.104 0.000 1.402 366 L HN -0.253 nan 8.230 nan 0.000 0.577 367 R N 0.290 120.852 120.500 0.103 0.000 2.320 367 R HA 0.214 4.549 4.340 -0.007 0.000 0.211 367 R C 1.429 177.888 176.300 0.265 0.000 0.931 367 R CA 0.636 56.807 56.100 0.118 0.000 1.071 367 R CB 0.363 30.693 30.300 0.051 0.000 1.025 367 R HN 0.506 nan 8.270 nan 0.000 0.495 368 G N 1.322 110.385 108.800 0.438 0.000 2.232 368 G HA2 -0.265 3.691 3.960 -0.007 0.000 0.226 368 G HA3 -0.265 3.691 3.960 -0.007 0.000 0.226 368 G C 0.571 175.551 174.900 0.133 0.000 0.996 368 G CA 0.330 45.630 45.100 0.334 0.000 0.626 368 G HN 0.532 nan 8.290 nan 0.000 0.509 369 D N -0.024 120.454 120.400 0.130 0.000 2.349 369 D HA 0.172 4.807 4.640 -0.007 0.000 0.214 369 D C 1.478 177.863 176.300 0.141 0.000 1.063 369 D CA 0.892 54.955 54.000 0.105 0.000 0.847 369 D CB 0.164 41.011 40.800 0.078 0.000 0.933 369 D HN 0.588 nan 8.370 nan 0.000 0.513 370 Q N -0.931 118.959 119.800 0.150 0.000 2.013 370 Q HA 0.224 4.559 4.340 -0.007 0.000 0.158 370 Q C -0.293 175.932 176.000 0.374 0.000 0.517 370 Q CA -0.389 55.544 55.803 0.216 0.000 0.753 370 Q CB 0.700 29.450 28.738 0.020 0.000 1.005 370 Q HN 0.001 nan 8.270 nan 0.000 0.393 371 F N 1.611 121.607 119.950 0.077 0.000 2.408 371 F HA 0.244 4.767 4.527 -0.008 0.000 0.325 371 F C 0.963 176.762 175.800 -0.001 0.000 1.082 371 F CA -1.193 56.777 58.000 -0.050 0.000 1.032 371 F CB 0.365 39.266 39.000 -0.164 0.000 1.259 371 F HN 0.148 nan 8.300 nan 0.000 0.503 372 D N 0.148 120.603 120.400 0.093 0.000 2.355 372 D HA 0.383 5.018 4.640 -0.007 0.000 0.206 372 D C 0.391 176.797 176.300 0.176 0.000 1.010 372 D CA 0.719 54.748 54.000 0.048 0.000 0.875 372 D CB 0.797 41.593 40.800 -0.006 0.000 0.966 372 D HN 0.451 nan 8.370 nan 0.000 0.512 373 A N -0.197 122.614 122.820 -0.015 0.000 2.490 373 A HA 0.514 4.830 4.320 -0.007 0.000 0.292 373 A C -1.440 176.026 177.584 -0.196 0.000 1.047 373 A CA -0.551 51.449 52.037 -0.062 0.000 0.632 373 A CB 0.762 19.756 19.000 -0.009 0.000 1.323 373 A HN 0.025 nan 8.150 nan 0.000 0.448 374 V N -2.305 117.511 119.914 -0.164 0.000 3.102 374 V HA 0.783 4.899 4.120 -0.007 0.000 0.312 374 V C -0.038 175.950 176.094 -0.177 0.000 1.135 374 V CA -1.077 61.098 62.300 -0.208 0.000 1.022 374 V CB 1.805 33.569 31.823 -0.099 0.000 1.056 374 V HN 0.936 nan 8.190 nan 0.000 0.436 375 M N 3.178 122.647 119.600 -0.217 0.000 2.364 375 M HA 0.225 4.701 4.480 -0.007 0.000 0.342 375 M C 0.392 176.590 176.300 -0.170 0.000 1.601 375 M CA 0.176 55.380 55.300 -0.158 0.000 1.156 375 M CB -0.309 32.153 32.600 -0.230 0.000 1.912 375 M HN 0.786 nan 8.290 nan 0.000 0.460 376 N N 2.778 121.391 118.700 -0.145 0.000 3.027 376 N HA -0.008 4.727 4.740 -0.007 0.000 0.309 376 N C 0.169 175.629 175.510 -0.083 0.000 1.222 376 N CA 0.369 53.381 53.050 -0.063 0.000 1.187 376 N CB -0.200 38.257 38.487 -0.050 0.000 1.458 376 N HN 0.474 nan 8.380 nan 0.000 0.535 377 Y N 0.774 121.008 120.300 -0.109 0.000 2.333 377 Y HA -0.030 4.516 4.550 -0.007 0.000 0.290 377 Y C -0.605 175.326 175.900 0.051 0.000 1.144 377 Y CA 0.824 58.833 58.100 -0.152 0.000 1.228 377 Y CB -0.587 37.608 38.460 -0.442 0.000 0.985 377 Y HN 0.444 nan 8.280 nan 0.000 0.542 378 P HA -0.211 nan 4.420 nan 0.000 0.217 378 P C 1.463 178.888 177.300 0.208 0.000 1.150 378 P CA 1.403 64.643 63.100 0.234 0.000 0.832 378 P CB -0.232 31.608 31.700 0.233 0.000 0.787 379 F N 0.434 120.417 119.950 0.054 0.000 2.134 379 F HA -0.195 4.328 4.527 -0.007 0.000 0.299 379 F C 1.865 177.672 175.800 0.012 0.000 1.097 379 F CA 1.824 59.830 58.000 0.010 0.000 1.264 379 F CB -1.273 37.697 39.000 -0.050 0.000 1.001 379 F HN -0.159 nan 8.300 nan 0.000 0.479 380 T N -0.053 114.626 114.554 0.209 0.000 2.684 380 T HA -0.274 4.072 4.350 -0.007 0.000 0.267 380 T C 1.455 176.149 174.700 -0.011 0.000 1.036 380 T CA 1.873 64.009 62.100 0.059 0.000 1.148 380 T CB -0.650 68.246 68.868 0.046 0.000 0.863 380 T HN 0.497 nan 8.240 nan 0.000 0.436 381 D N 0.693 121.130 120.400 0.061 0.000 2.087 381 D HA -0.072 4.563 4.640 -0.007 0.000 0.192 381 D C 2.399 178.703 176.300 0.007 0.000 0.993 381 D CA 1.582 55.615 54.000 0.056 0.000 0.828 381 D CB -0.735 40.128 40.800 0.104 0.000 0.968 381 D HN 0.343 nan 8.370 nan 0.000 0.448 382 G N -0.111 108.691 108.800 0.004 0.000 2.446 382 G HA2 -0.233 3.722 3.960 -0.007 0.000 0.217 382 G HA3 -0.233 3.722 3.960 -0.007 0.000 0.217 382 G C 1.834 176.763 174.900 0.049 0.000 1.168 382 G CA 1.130 46.259 45.100 0.048 0.000 0.771 382 G HN 0.323 nan 8.290 nan 0.000 0.551 383 V N 0.802 120.663 119.914 -0.088 0.000 2.407 383 V HA -0.096 4.019 4.120 -0.007 0.000 0.248 383 V C 2.870 178.890 176.094 -0.123 0.000 1.055 383 V CA 1.358 63.548 62.300 -0.183 0.000 1.049 383 V CB -0.326 31.296 31.823 -0.335 0.000 0.662 383 V HN 0.337 nan 8.190 nan 0.000 0.455 384 L N -0.803 120.361 121.223 -0.097 0.000 2.109 384 L HA -0.062 4.274 4.340 -0.007 0.000 0.207 384 L C 2.738 179.546 176.870 -0.104 0.000 1.086 384 L CA 1.232 56.025 54.840 -0.078 0.000 0.760 384 L CB -0.511 41.516 42.059 -0.054 0.000 0.910 384 L HN 0.206 nan 8.230 nan 0.000 0.437 385 R N -0.930 119.516 120.500 -0.090 0.000 2.148 385 R HA -0.156 4.179 4.340 -0.007 0.000 0.227 385 R C 2.106 178.324 176.300 -0.136 0.000 1.103 385 R CA 1.365 57.416 56.100 -0.082 0.000 0.983 385 R CB -0.184 30.098 30.300 -0.030 0.000 0.874 385 R HN 0.248 nan 8.270 nan 0.000 0.451 386 F N -0.151 119.531 119.950 -0.447 0.000 2.243 386 F HA 0.053 4.575 4.527 -0.008 0.000 0.287 386 F C 1.494 176.902 175.800 -0.653 0.000 1.067 386 F CA 0.892 58.470 58.000 -0.703 0.000 1.304 386 F CB -0.162 37.978 39.000 -1.434 0.000 1.087 386 F HN -0.227 nan 8.300 nan 0.000 0.513 387 F N 0.201 119.791 119.950 -0.600 0.000 2.270 387 F HA 0.204 4.726 4.527 -0.007 0.000 0.295 387 F C 2.390 177.954 175.800 -0.394 0.000 1.087 387 F CA 0.998 58.667 58.000 -0.552 0.000 1.365 387 F CB -1.255 37.521 39.000 -0.373 0.000 1.056 387 F HN 0.070 nan 8.300 nan 0.000 0.506 388 A N 0.299 123.043 122.820 -0.126 0.000 1.862 388 A HA -0.001 4.314 4.320 -0.007 0.000 0.211 388 A C 2.023 179.519 177.584 -0.147 0.000 1.220 388 A CA 0.818 52.774 52.037 -0.135 0.000 0.616 388 A CB -0.330 18.608 19.000 -0.102 0.000 0.878 388 A HN 0.249 nan 8.150 nan 0.000 0.453 389 K N -0.407 119.911 120.400 -0.137 0.000 2.314 389 K HA 0.110 4.426 4.320 -0.007 0.000 0.198 389 K C -0.438 176.085 176.600 -0.129 0.000 1.045 389 K CA 0.560 56.779 56.287 -0.113 0.000 0.988 389 K CB 0.162 32.612 32.500 -0.084 0.000 0.783 389 K HN 0.520 nan 8.250 nan 0.000 0.484 390 E N 0.617 120.701 120.200 -0.193 0.000 2.476 390 E HA -0.241 4.105 4.350 -0.007 0.000 0.251 390 E C -0.269 176.262 176.600 -0.116 0.000 1.130 390 E CA 0.462 56.736 56.400 -0.209 0.000 0.736 390 E CB -1.353 28.249 29.700 -0.164 0.000 1.298 390 E HN 0.470 nan 8.360 nan 0.000 0.400 391 E N -0.030 120.116 120.200 -0.090 0.000 2.489 391 E HA 0.093 4.438 4.350 -0.007 0.000 0.193 391 E C 1.085 177.669 176.600 -0.027 0.000 1.057 391 E CA 0.665 57.034 56.400 -0.052 0.000 0.866 391 E CB 0.083 29.756 29.700 -0.045 0.000 0.916 391 E HN 0.503 nan 8.360 nan 0.000 0.500 392 I N -2.726 117.843 120.570 -0.003 0.000 2.994 392 I HA 0.400 4.566 4.170 -0.007 0.000 0.306 392 I C -0.041 176.159 176.117 0.137 0.000 1.195 392 I CA -1.268 60.058 61.300 0.044 0.000 1.001 392 I CB 2.080 40.107 38.000 0.045 0.000 1.244 392 I HN -0.212 nan 8.210 nan 0.000 0.437 393 S N 2.924 118.682 115.700 0.097 0.000 2.634 393 S HA 0.576 5.042 4.470 -0.007 0.000 0.261 393 S C 1.212 175.880 174.600 0.114 0.000 1.271 393 S CA -0.051 58.232 58.200 0.137 0.000 0.985 393 S CB 1.524 64.746 63.200 0.037 0.000 0.968 393 S HN 1.045 nan 8.310 nan 0.000 0.568 394 A N 0.523 123.409 122.820 0.111 0.000 2.019 394 A HA -0.059 4.257 4.320 -0.007 0.000 0.219 394 A C 2.278 179.741 177.584 -0.202 0.000 1.164 394 A CA 1.432 53.319 52.037 -0.250 0.000 0.644 394 A CB -0.789 18.238 19.000 0.046 0.000 0.805 394 A HN 0.908 nan 8.150 nan 0.000 0.449 395 R N -0.332 120.122 120.500 -0.077 0.000 2.062 395 R HA -0.139 4.197 4.340 -0.007 0.000 0.229 395 R C 2.201 178.409 176.300 -0.154 0.000 1.128 395 R CA 1.730 57.784 56.100 -0.077 0.000 0.960 395 R CB -0.317 29.950 30.300 -0.054 0.000 0.855 395 R HN 0.664 nan 8.270 nan 0.000 0.432 396 Q N -0.597 119.128 119.800 -0.126 0.000 2.167 396 Q HA -0.158 4.178 4.340 -0.007 0.000 0.202 396 Q C 1.830 177.720 176.000 -0.184 0.000 0.970 396 Q CA 1.376 57.101 55.803 -0.130 0.000 0.855 396 Q CB -0.150 28.545 28.738 -0.071 0.000 0.911 396 Q HN 0.309 nan 8.270 nan 0.000 0.438 397 F N 1.299 120.991 119.950 -0.430 0.000 2.146 397 F HA -0.055 4.468 4.527 -0.008 0.000 0.298 397 F C 2.119 177.516 175.800 -0.672 0.000 1.096 397 F CA 1.144 58.787 58.000 -0.594 0.000 1.275 397 F CB -0.497 37.858 39.000 -1.074 0.000 1.008 397 F HN -0.018 nan 8.300 nan 0.000 0.480 398 A N 0.704 122.955 122.820 -0.949 0.000 1.908 398 A HA -0.228 4.088 4.320 -0.007 0.000 0.218 398 A C 2.074 179.161 177.584 -0.828 0.000 1.181 398 A CA 1.985 53.181 52.037 -1.403 0.000 0.627 398 A CB -0.945 17.523 19.000 -0.888 0.000 0.818 398 A HN 0.522 nan 8.150 nan 0.000 0.445 399 N N -0.640 117.791 118.700 -0.448 0.000 2.142 399 N HA -0.149 4.586 4.740 -0.007 0.000 0.186 399 N C 1.884 177.288 175.510 -0.177 0.000 1.023 399 N CA 1.630 54.542 53.050 -0.229 0.000 0.852 399 N CB -0.434 37.959 38.487 -0.156 0.000 0.998 399 N HN 0.646 nan 8.380 nan 0.000 0.424 400 Q N 0.412 120.060 119.800 -0.254 0.000 2.079 400 Q HA 0.050 4.386 4.340 -0.007 0.000 0.200 400 Q C 1.824 177.749 176.000 -0.125 0.000 0.974 400 Q CA 1.222 56.939 55.803 -0.143 0.000 0.840 400 Q CB -0.116 28.532 28.738 -0.150 0.000 0.898 400 Q HN 0.166 nan 8.270 nan 0.000 0.430 401 M N -0.707 118.676 119.600 -0.362 0.000 2.086 401 M HA -0.115 4.361 4.480 -0.007 0.000 0.261 401 M C 1.950 178.264 176.300 0.024 0.000 1.067 401 M CA 1.337 56.528 55.300 -0.182 0.000 1.116 401 M CB -0.852 31.551 32.600 -0.328 0.000 1.348 401 M HN 0.334 nan 8.290 nan 0.000 0.407 402 M N -1.252 118.334 119.600 -0.023 0.000 2.159 402 M HA -0.190 4.286 4.480 -0.007 0.000 0.263 402 M C 2.156 178.502 176.300 0.076 0.000 1.063 402 M CA 1.658 57.032 55.300 0.122 0.000 1.110 402 M CB -1.613 31.029 32.600 0.070 0.000 1.374 402 M HN 0.331 nan 8.290 nan 0.000 0.411 403 H N 0.952 120.005 119.070 -0.028 0.000 2.256 403 H HA -0.111 4.440 4.556 -0.007 0.000 0.299 403 H C 1.925 177.221 175.328 -0.053 0.000 1.071 403 H CA 2.769 58.808 56.048 -0.014 0.000 1.280 403 H CB -0.205 29.564 29.762 0.013 0.000 1.370 403 H HN 0.169 nan 8.280 nan 0.000 0.490 404 V N -0.926 118.967 119.914 -0.034 0.000 2.626 404 V HA -0.124 3.991 4.120 -0.007 0.000 0.252 404 V C 2.420 178.438 176.094 -0.128 0.000 1.067 404 V CA 1.660 63.902 62.300 -0.097 0.000 1.081 404 V CB -0.852 31.023 31.823 0.086 0.000 0.686 404 V HN 0.357 nan 8.190 nan 0.000 0.468 405 L N -0.260 120.939 121.223 -0.041 0.000 2.068 405 L HA -0.011 4.325 4.340 -0.007 0.000 0.204 405 L C 2.590 179.299 176.870 -0.268 0.000 1.076 405 L CA 1.700 56.500 54.840 -0.067 0.000 0.753 405 L CB -0.654 41.384 42.059 -0.034 0.000 0.910 405 L HN 0.346 nan 8.230 nan 0.000 0.439 406 H N -1.030 117.800 119.070 -0.401 0.000 2.563 406 H HA -0.045 4.507 4.556 -0.007 0.000 0.272 406 H C 2.172 177.181 175.328 -0.532 0.000 1.005 406 H CA 0.834 56.544 56.048 -0.563 0.000 1.171 406 H CB 0.071 29.124 29.762 -1.181 0.000 1.351 406 H HN 0.302 nan 8.280 nan 0.000 0.602 407 S N -0.813 114.626 115.700 -0.435 0.000 2.558 407 S HA 0.029 4.495 4.470 -0.007 0.000 0.217 407 S C -0.039 174.307 174.600 -0.424 0.000 0.975 407 S CA -0.143 57.765 58.200 -0.486 0.000 0.912 407 S CB 0.079 62.898 63.200 -0.635 0.000 0.776 407 S HN 0.136 nan 8.310 nan 0.000 0.526 408 Y N 0.751 120.928 120.300 -0.205 0.000 2.602 408 Y HA 0.666 5.211 4.550 -0.007 0.000 0.342 408 Y C -2.833 172.881 175.900 -0.310 0.000 1.029 408 Y CA -3.098 54.865 58.100 -0.229 0.000 1.080 408 Y CB 0.458 38.797 38.460 -0.203 0.000 1.284 408 Y HN -0.099 nan 8.280 nan 0.000 0.485 409 P HA 0.140 nan 4.420 nan 0.000 0.272 409 P C 0.111 177.191 177.300 -0.366 0.000 1.223 409 P CA 0.049 62.664 63.100 -0.809 0.000 0.784 409 P CB 0.840 31.625 31.700 -1.526 0.000 0.923 410 N N 2.142 120.840 118.700 -0.003 0.000 2.094 410 N HA -0.184 4.551 4.740 -0.007 0.000 0.191 410 N C 1.233 176.817 175.510 0.123 0.000 1.023 410 N CA 1.560 54.681 53.050 0.119 0.000 0.857 410 N CB -0.793 37.872 38.487 0.296 0.000 1.013 410 N HN 0.524 nan 8.380 nan 0.000 0.426 411 N N 0.208 119.009 118.700 0.168 0.000 2.381 411 N HA -0.061 4.674 4.740 -0.007 0.000 0.182 411 N C 1.455 176.920 175.510 -0.075 0.000 1.025 411 N CA 0.573 53.683 53.050 0.101 0.000 0.888 411 N CB -0.691 37.822 38.487 0.043 0.000 0.965 411 N HN 0.086 nan 8.380 nan 0.000 0.438 412 V N 1.306 120.958 119.914 -0.437 0.000 2.379 412 V HA -0.124 3.992 4.120 -0.007 0.000 0.245 412 V C 1.867 177.817 176.094 -0.240 0.000 1.044 412 V CA 1.373 63.301 62.300 -0.619 0.000 1.036 412 V CB -0.606 30.717 31.823 -0.834 0.000 0.664 412 V HN 0.289 nan 8.190 nan 0.000 0.453 413 N N 0.422 119.025 118.700 -0.161 0.000 2.289 413 N HA -0.152 4.584 4.740 -0.007 0.000 0.184 413 N C 1.672 177.151 175.510 -0.051 0.000 1.016 413 N CA 1.070 54.078 53.050 -0.071 0.000 0.872 413 N CB -0.205 38.245 38.487 -0.061 0.000 0.973 413 N HN 0.618 nan 8.380 nan 0.000 0.433 414 E N -0.053 120.134 120.200 -0.022 0.000 2.478 414 E HA 0.046 4.391 4.350 -0.007 0.000 0.198 414 E C 0.718 177.325 176.600 0.012 0.000 1.046 414 E CA 0.394 56.791 56.400 -0.005 0.000 0.870 414 E CB 0.177 29.905 29.700 0.048 0.000 0.818 414 E HN 0.293 nan 8.360 nan 0.000 0.527 415 A N 0.711 123.561 122.820 0.051 0.000 2.571 415 A HA 0.502 4.818 4.320 -0.007 0.000 0.274 415 A C 0.641 178.313 177.584 0.146 0.000 1.196 415 A CA -0.228 51.866 52.037 0.095 0.000 0.957 415 A CB 0.484 19.587 19.000 0.172 0.000 1.150 415 A HN 0.150 nan 8.150 nan 0.000 0.539 416 A N -0.259 122.601 122.820 0.067 0.000 2.477 416 A HA 0.465 4.781 4.320 -0.007 0.000 0.246 416 A C -0.278 177.362 177.584 0.093 0.000 1.078 416 A CA -0.026 52.044 52.037 0.055 0.000 0.770 416 A CB -0.373 18.631 19.000 0.007 0.000 1.011 416 A HN 0.590 nan 8.150 nan 0.000 0.494 417 F N 3.688 123.586 119.950 -0.086 0.000 2.567 417 F HA 0.165 4.688 4.527 -0.008 0.000 0.352 417 F C 0.104 175.752 175.800 -0.253 0.000 1.229 417 F CA -0.860 57.059 58.000 -0.135 0.000 1.228 417 F CB -0.079 38.792 39.000 -0.214 0.000 1.568 417 F HN 0.513 nan 8.300 nan 0.000 0.634 418 N N 7.554 125.975 118.700 -0.465 0.000 2.402 418 N HA 0.182 4.918 4.740 -0.007 0.000 0.252 418 N C -0.389 174.741 175.510 -0.633 0.000 1.118 418 N CA -0.028 52.572 53.050 -0.748 0.000 0.945 418 N CB 0.934 38.771 38.487 -1.083 0.000 1.147 418 N HN 0.587 nan 8.380 nan 0.000 0.495 419 L N -1.157 119.777 121.223 -0.483 0.000 2.313 419 L HA 0.588 4.924 4.340 -0.007 0.000 0.268 419 L C 0.343 177.149 176.870 -0.107 0.000 1.010 419 L CA -0.919 53.721 54.840 -0.333 0.000 0.814 419 L CB 1.386 43.209 42.059 -0.395 0.000 1.304 419 L HN 0.219 nan 8.230 nan 0.000 0.441 420 L N 0.624 121.785 121.223 -0.103 0.000 2.609 420 L HA 0.514 4.850 4.340 -0.007 0.000 0.230 420 L C 0.829 177.629 176.870 -0.117 0.000 1.087 420 L CA 0.516 55.308 54.840 -0.079 0.000 0.874 420 L CB 0.644 42.593 42.059 -0.184 0.000 1.114 420 L HN 0.967 nan 8.230 nan 0.000 0.488 421 G N -1.042 107.670 108.800 -0.148 0.000 2.495 421 G HA2 0.508 4.464 3.960 -0.007 0.000 0.294 421 G HA3 0.508 4.464 3.960 -0.007 0.000 0.294 421 G C -1.348 173.390 174.900 -0.270 0.000 1.397 421 G CA 0.364 45.364 45.100 -0.168 0.000 0.790 421 G HN -0.002 nan 8.290 nan 0.000 0.486 422 S N -2.007 113.414 115.700 -0.465 0.000 2.755 422 S HA 0.448 4.913 4.470 -0.007 0.000 0.286 422 S C 0.534 174.567 174.600 -0.945 0.000 1.207 422 S CA 0.323 58.149 58.200 -0.623 0.000 0.892 422 S CB 0.823 64.009 63.200 -0.024 0.000 1.240 422 S HN 1.545 nan 8.310 nan 0.000 0.525 423 H N 0.182 118.929 119.070 -0.537 0.000 2.547 423 H HA 0.352 4.904 4.556 -0.007 0.000 0.266 423 H C -0.471 174.786 175.328 -0.119 0.000 0.988 423 H CA 0.506 56.411 56.048 -0.238 0.000 1.147 423 H CB -0.535 29.260 29.762 0.056 0.000 1.365 423 H HN 0.555 nan 8.280 nan 0.000 0.589 424 D N 1.177 121.387 120.400 -0.316 0.000 2.513 424 D HA 0.083 4.718 4.640 -0.007 0.000 0.222 424 D C 0.464 176.771 176.300 0.012 0.000 1.210 424 D CA 0.314 54.212 54.000 -0.169 0.000 0.825 424 D CB 1.195 41.946 40.800 -0.081 0.000 1.037 424 D HN 0.527 nan 8.370 nan 0.000 0.506 425 T N -3.070 111.458 114.554 -0.045 0.000 2.838 425 T HA 0.536 4.881 4.350 -0.007 0.000 0.292 425 T C 0.170 174.837 174.700 -0.055 0.000 1.113 425 T CA -0.583 61.521 62.100 0.006 0.000 1.008 425 T CB 2.035 70.930 68.868 0.045 0.000 1.259 425 T HN -0.267 nan 8.240 nan 0.000 0.520 426 S N 0.718 116.400 115.700 -0.029 0.000 2.603 426 S HA 0.405 4.871 4.470 -0.007 0.000 0.268 426 S C 0.406 174.982 174.600 -0.041 0.000 1.317 426 S CA -0.852 57.327 58.200 -0.035 0.000 1.012 426 S CB 0.161 63.344 63.200 -0.028 0.000 0.926 426 S HN 0.522 nan 8.310 nan 0.000 0.539 427 R N 1.961 122.445 120.500 -0.026 0.000 2.489 427 R HA 0.076 4.411 4.340 -0.007 0.000 0.287 427 R C 1.610 177.889 176.300 -0.036 0.000 1.053 427 R CA -0.066 56.026 56.100 -0.013 0.000 1.036 427 R CB -0.163 30.128 30.300 -0.014 0.000 0.966 427 R HN 0.726 nan 8.270 nan 0.000 0.432 428 I N 0.363 120.905 120.570 -0.047 0.000 2.264 428 I HA -0.280 3.886 4.170 -0.007 0.000 0.248 428 I C 1.870 177.945 176.117 -0.069 0.000 1.111 428 I CA 1.210 62.463 61.300 -0.078 0.000 1.382 428 I CB -0.326 37.592 38.000 -0.136 0.000 1.060 428 I HN 0.348 nan 8.210 nan 0.000 0.418 429 L N 1.500 122.696 121.223 -0.045 0.000 2.083 429 L HA -0.105 4.231 4.340 -0.007 0.000 0.209 429 L C 2.401 179.242 176.870 -0.050 0.000 1.083 429 L CA 2.188 57.004 54.840 -0.041 0.000 0.752 429 L CB -1.085 40.962 42.059 -0.020 0.000 0.899 429 L HN 0.237 nan 8.230 nan 0.000 0.433 430 T N -1.368 113.159 114.554 -0.044 0.000 2.857 430 T HA -0.083 4.262 4.350 -0.007 0.000 0.266 430 T C 1.906 176.576 174.700 -0.050 0.000 1.048 430 T CA 1.378 63.452 62.100 -0.044 0.000 1.139 430 T CB -0.182 68.663 68.868 -0.037 0.000 0.874 430 T HN 0.185 nan 8.240 nan 0.000 0.455 431 V N 0.709 120.591 119.914 -0.054 0.000 2.759 431 V HA -0.120 3.996 4.120 -0.007 0.000 0.256 431 V C 2.376 178.425 176.094 -0.075 0.000 1.080 431 V CA 0.983 63.248 62.300 -0.059 0.000 1.101 431 V CB -0.683 31.106 31.823 -0.057 0.000 0.698 431 V HN 0.582 nan 8.190 nan 0.000 0.477 432 C N 0.393 119.642 119.300 -0.085 0.000 2.618 432 C HA 0.422 4.878 4.460 -0.007 0.000 0.264 432 C C 1.964 176.892 174.990 -0.103 0.000 1.334 432 C CA 0.265 59.217 59.018 -0.111 0.000 1.731 432 C CB -1.046 26.619 27.740 -0.125 0.000 1.852 432 C HN 0.802 nan 8.230 nan 0.000 0.566 433 G N 0.063 108.817 108.800 -0.076 0.000 2.160 433 G HA2 0.091 4.046 3.960 -0.007 0.000 0.244 433 G HA3 0.091 4.046 3.960 -0.007 0.000 0.244 433 G C 0.895 175.760 174.900 -0.059 0.000 1.022 433 G CA 0.552 45.614 45.100 -0.063 0.000 0.741 433 G HN 1.459 nan 8.290 nan 0.000 0.508 434 G N -0.951 107.814 108.800 -0.058 0.000 2.176 434 G HA2 -0.253 3.702 3.960 -0.007 0.000 0.253 434 G HA3 -0.253 3.702 3.960 -0.007 0.000 0.253 434 G C 0.197 175.063 174.900 -0.056 0.000 0.979 434 G CA 0.882 45.953 45.100 -0.048 0.000 0.641 434 G HN 1.259 nan 8.290 nan 0.000 0.530 435 D N 0.587 120.935 120.400 -0.087 0.000 2.359 435 D HA 0.331 4.966 4.640 -0.007 0.000 0.250 435 D C 1.596 177.829 176.300 -0.111 0.000 1.264 435 D CA -0.471 53.462 54.000 -0.112 0.000 0.911 435 D CB 0.442 41.126 40.800 -0.194 0.000 1.056 435 D HN 0.101 nan 8.370 nan 0.000 0.499 436 I N 4.629 125.160 120.570 -0.065 0.000 2.454 436 I HA -0.220 3.946 4.170 -0.007 0.000 0.254 436 I C 2.154 178.231 176.117 -0.066 0.000 1.156 436 I CA 1.168 62.442 61.300 -0.042 0.000 1.433 436 I CB 0.104 38.097 38.000 -0.011 0.000 1.082 436 I HN 0.319 nan 8.210 nan 0.000 0.432 437 R N 0.152 120.601 120.500 -0.085 0.000 2.081 437 R HA -0.160 4.176 4.340 -0.007 0.000 0.235 437 R C 2.231 178.437 176.300 -0.158 0.000 1.131 437 R CA 1.512 57.568 56.100 -0.074 0.000 0.960 437 R CB -0.366 29.928 30.300 -0.009 0.000 0.856 437 R HN 0.337 nan 8.270 nan 0.000 0.436 438 K N 0.230 120.460 120.400 -0.284 0.000 2.097 438 K HA -0.076 4.239 4.320 -0.007 0.000 0.206 438 K C 1.988 178.471 176.600 -0.195 0.000 1.049 438 K CA 1.125 57.233 56.287 -0.298 0.000 0.933 438 K CB -0.011 32.277 32.500 -0.353 0.000 0.717 438 K HN 0.006 nan 8.250 nan 0.000 0.442 439 V N 1.707 121.541 119.914 -0.134 0.000 2.626 439 V HA -0.219 3.897 4.120 -0.007 0.000 0.252 439 V C 1.896 178.002 176.094 0.020 0.000 1.067 439 V CA 1.608 63.867 62.300 -0.068 0.000 1.081 439 V CB -0.338 31.498 31.823 0.022 0.000 0.686 439 V HN 0.272 nan 8.190 nan 0.000 0.468 440 K N -0.224 120.141 120.400 -0.058 0.000 2.097 440 K HA -0.023 4.293 4.320 -0.007 0.000 0.205 440 K C 2.054 178.548 176.600 -0.176 0.000 1.050 440 K CA 1.085 57.283 56.287 -0.149 0.000 0.938 440 K CB -0.182 31.985 32.500 -0.554 0.000 0.718 440 K HN 0.356 nan 8.250 nan 0.000 0.442 441 L N 0.822 121.861 121.223 -0.306 0.000 2.083 441 L HA -0.184 4.151 4.340 -0.007 0.000 0.209 441 L C 2.250 178.720 176.870 -0.666 0.000 1.083 441 L CA 1.023 55.575 54.840 -0.480 0.000 0.752 441 L CB -0.452 41.377 42.059 -0.385 0.000 0.899 441 L HN 0.199 nan 8.230 nan 0.000 0.433 442 L N -1.172 119.741 121.223 -0.517 0.000 1.994 442 L HA -0.243 4.092 4.340 -0.007 0.000 0.208 442 L C 2.542 179.261 176.870 -0.251 0.000 1.071 442 L CA 1.606 56.168 54.840 -0.462 0.000 0.745 442 L CB -0.568 41.268 42.059 -0.370 0.000 0.892 442 L HN 0.100 nan 8.230 nan 0.000 0.431 443 F N -0.568 119.325 119.950 -0.096 0.000 2.171 443 F HA -0.278 4.245 4.527 -0.007 0.000 0.300 443 F C 2.343 178.109 175.800 -0.057 0.000 1.090 443 F CA 1.048 59.027 58.000 -0.035 0.000 1.293 443 F CB -0.268 38.735 39.000 0.006 0.000 1.013 443 F HN 0.046 nan 8.300 nan 0.000 0.486 444 L N -0.360 120.918 121.223 0.092 0.000 1.989 444 L HA -0.261 4.074 4.340 -0.007 0.000 0.211 444 L C 2.110 179.057 176.870 0.128 0.000 1.071 444 L CA 1.883 56.726 54.840 0.005 0.000 0.749 444 L CB -1.272 40.673 42.059 -0.190 0.000 0.890 444 L HN 0.142 nan 8.230 nan 0.000 0.431 445 F N 0.033 119.959 119.950 -0.041 0.000 2.186 445 F HA -0.191 4.332 4.527 -0.007 0.000 0.299 445 F C 2.668 178.602 175.800 0.222 0.000 1.090 445 F CA 2.022 60.106 58.000 0.140 0.000 1.307 445 F CB -0.407 38.617 39.000 0.040 0.000 1.019 445 F HN 0.373 nan 8.300 nan 0.000 0.489 446 Q N 0.300 120.216 119.800 0.193 0.000 2.020 446 Q HA -0.184 4.152 4.340 -0.007 0.000 0.202 446 Q C 2.034 178.100 176.000 0.110 0.000 0.982 446 Q CA 1.934 57.849 55.803 0.186 0.000 0.838 446 Q CB -0.339 28.488 28.738 0.149 0.000 0.899 446 Q HN 0.505 nan 8.270 nan 0.000 0.423 447 L N 0.626 121.913 121.223 0.107 0.000 2.622 447 L HA -0.021 4.315 4.340 -0.007 0.000 0.233 447 L C 1.668 178.571 176.870 0.054 0.000 1.156 447 L CA 1.050 55.934 54.840 0.072 0.000 0.866 447 L CB -0.167 41.926 42.059 0.056 0.000 0.980 447 L HN 0.393 nan 8.230 nan 0.000 0.448 448 T N -4.969 109.624 114.554 0.065 0.000 3.044 448 T HA 0.124 4.470 4.350 -0.007 0.000 0.260 448 T C 0.172 174.893 174.700 0.035 0.000 1.019 448 T CA -0.302 61.840 62.100 0.071 0.000 0.921 448 T CB -0.064 68.902 68.868 0.163 0.000 1.053 448 T HN -0.063 nan 8.240 nan 0.000 0.533 449 F N 3.197 123.026 119.950 -0.201 0.000 2.394 449 F HA 0.496 5.018 4.527 -0.007 0.000 0.340 449 F C 0.511 176.219 175.800 -0.153 0.000 1.105 449 F CA -0.667 57.184 58.000 -0.249 0.000 1.124 449 F CB 1.134 39.962 39.000 -0.287 0.000 1.145 449 F HN -0.077 nan 8.300 nan 0.000 0.505 450 T N 4.177 118.417 114.554 -0.523 0.000 2.940 450 T HA 0.507 4.852 4.350 -0.007 0.000 0.309 450 T C 0.363 174.945 174.700 -0.197 0.000 1.056 450 T CA 0.849 62.749 62.100 -0.334 0.000 1.137 450 T CB 0.369 68.999 68.868 -0.396 0.000 0.976 450 T HN 1.107 nan 8.240 nan 0.000 0.547 451 G N 1.382 110.123 108.800 -0.098 0.000 2.280 451 G HA2 0.106 4.061 3.960 -0.007 0.000 0.277 451 G HA3 0.106 4.061 3.960 -0.007 0.000 0.277 451 G C -0.443 174.447 174.900 -0.016 0.000 1.288 451 G CA -0.266 44.807 45.100 -0.044 0.000 1.075 451 G HN 0.759 nan 8.290 nan 0.000 0.480 452 S N 2.897 118.610 115.700 0.022 0.000 2.252 452 S HA 0.619 5.084 4.470 -0.007 0.000 0.180 452 S C -2.035 172.583 174.600 0.031 0.000 1.534 452 S CA -0.758 57.505 58.200 0.106 0.000 1.141 452 S CB 0.648 63.990 63.200 0.236 0.000 1.122 452 S HN 0.624 nan 8.310 nan 0.000 0.475 453 P HA 0.151 nan 4.420 nan 0.000 0.269 453 P C -0.384 176.814 177.300 -0.171 0.000 1.215 453 P CA -0.260 62.725 63.100 -0.191 0.000 0.780 453 P CB 0.635 32.287 31.700 -0.080 0.000 0.898 454 C N 3.883 122.966 119.300 -0.361 0.000 2.626 454 C HA 0.655 5.110 4.460 -0.007 0.000 0.310 454 C C -0.350 174.620 174.990 -0.032 0.000 1.191 454 C CA -0.646 58.250 59.018 -0.203 0.000 1.517 454 C CB 0.012 27.367 27.740 -0.642 0.000 2.102 454 C HN 0.476 nan 8.230 nan 0.000 0.479 455 I N 4.802 125.447 120.570 0.125 0.000 2.404 455 I HA 0.282 4.447 4.170 -0.007 0.000 0.293 455 I C -0.962 175.184 176.117 0.048 0.000 0.992 455 I CA -0.604 60.790 61.300 0.157 0.000 1.149 455 I CB 1.372 39.551 38.000 0.299 0.000 1.315 455 I HN 0.621 nan 8.210 nan 0.000 0.446 456 Y N 7.987 128.232 120.300 -0.091 0.000 2.365 456 Y HA 0.181 4.727 4.550 -0.007 0.000 0.340 456 Y C -0.058 175.667 175.900 -0.291 0.000 1.016 456 Y CA -1.219 56.792 58.100 -0.149 0.000 1.196 456 Y CB 0.173 38.572 38.460 -0.101 0.000 1.167 456 Y HN 0.439 nan 8.280 nan 0.000 0.509 457 Y N 4.727 124.518 120.300 -0.849 0.000 2.996 457 Y HA 0.237 4.782 4.550 -0.007 0.000 0.347 457 Y C 1.053 176.740 175.900 -0.356 0.000 1.276 457 Y CA 0.227 57.916 58.100 -0.686 0.000 1.601 457 Y CB -0.267 37.973 38.460 -0.367 0.000 1.193 457 Y HN 0.940 nan 8.280 nan 0.000 0.582 458 G N 2.863 111.591 108.800 -0.121 0.000 2.284 458 G HA2 -0.346 3.609 3.960 -0.007 0.000 0.230 458 G HA3 -0.346 3.609 3.960 -0.007 0.000 0.230 458 G C 0.753 175.608 174.900 -0.075 0.000 1.021 458 G CA 0.292 45.279 45.100 -0.188 0.000 0.619 458 G HN 0.604 nan 8.290 nan 0.000 0.510 459 D N 1.369 121.752 120.400 -0.027 0.000 2.219 459 D HA -0.003 4.632 4.640 -0.007 0.000 0.205 459 D C 2.449 178.950 176.300 0.335 0.000 0.970 459 D CA 1.322 55.421 54.000 0.166 0.000 0.851 459 D CB -0.121 40.811 40.800 0.219 0.000 0.943 459 D HN 0.739 nan 8.370 nan 0.000 0.488 460 E N 1.174 121.524 120.200 0.250 0.000 2.418 460 E HA -0.133 4.213 4.350 -0.007 0.000 0.197 460 E C 1.782 178.436 176.600 0.089 0.000 1.026 460 E CA 0.572 56.984 56.400 0.020 0.000 0.862 460 E CB -0.356 29.331 29.700 -0.021 0.000 0.799 460 E HN 0.494 nan 8.360 nan 0.000 0.518 461 I N -4.064 116.593 120.570 0.144 0.000 4.082 461 I HA 0.513 4.678 4.170 -0.007 0.000 0.337 461 I C 1.061 177.218 176.117 0.067 0.000 1.352 461 I CA 0.007 61.381 61.300 0.122 0.000 1.097 461 I CB 0.704 38.758 38.000 0.090 0.000 1.048 461 I HN 0.019 nan 8.210 nan 0.000 0.393 462 G N 2.295 111.139 108.800 0.074 0.000 2.171 462 G HA2 -0.235 3.720 3.960 -0.007 0.000 0.238 462 G HA3 -0.235 3.720 3.960 -0.007 0.000 0.238 462 G C 0.043 174.940 174.900 -0.005 0.000 1.039 462 G CA -0.036 45.091 45.100 0.045 0.000 0.759 462 G HN 0.361 nan 8.290 nan 0.000 0.501 463 M N 0.763 120.340 119.600 -0.039 0.000 2.232 463 M HA 0.423 4.899 4.480 -0.007 0.000 0.321 463 M C 1.346 177.609 176.300 -0.063 0.000 1.101 463 M CA 1.150 56.402 55.300 -0.080 0.000 1.181 463 M CB 0.512 33.020 32.600 -0.154 0.000 1.432 463 M HN 0.533 nan 8.290 nan 0.000 0.457 464 T N -1.079 113.437 114.554 -0.064 0.000 2.927 464 T HA 0.948 5.293 4.350 -0.007 0.000 0.286 464 T C -0.152 174.518 174.700 -0.051 0.000 1.040 464 T CA -0.463 61.608 62.100 -0.049 0.000 1.010 464 T CB 1.982 70.825 68.868 -0.041 0.000 1.177 464 T HN 1.033 nan 8.240 nan 0.000 0.546 465 G N -1.292 107.484 108.800 -0.039 0.000 2.307 465 G HA2 0.478 4.434 3.960 -0.007 0.000 0.348 465 G HA3 0.478 4.434 3.960 -0.007 0.000 0.348 465 G C -0.240 174.642 174.900 -0.029 0.000 1.603 465 G CA -0.313 44.766 45.100 -0.035 0.000 0.961 465 G HN 1.028 nan 8.290 nan 0.000 0.686 466 G N 0.022 108.805 108.800 -0.028 0.000 2.494 466 G HA2 0.497 4.453 3.960 -0.007 0.000 0.270 466 G HA3 0.497 4.453 3.960 -0.007 0.000 0.270 466 G C 0.424 175.306 174.900 -0.030 0.000 1.423 466 G CA -0.292 44.791 45.100 -0.029 0.000 1.055 466 G HN 0.738 nan 8.290 nan 0.000 0.536 467 N N 0.075 118.755 118.700 -0.033 0.000 2.371 467 N HA 0.020 4.755 4.740 -0.007 0.000 0.243 467 N C 0.065 175.549 175.510 -0.044 0.000 1.287 467 N CA -0.326 52.700 53.050 -0.039 0.000 0.911 467 N CB 0.585 39.049 38.487 -0.039 0.000 1.142 467 N HN 0.408 nan 8.380 nan 0.000 0.451 468 D N 0.646 121.012 120.400 -0.058 0.000 3.046 468 D HA -0.117 4.519 4.640 -0.007 0.000 0.213 468 D C -1.523 174.752 176.300 -0.042 0.000 1.074 468 D CA -0.314 53.649 54.000 -0.061 0.000 0.785 468 D CB 0.615 41.364 40.800 -0.085 0.000 1.160 468 D HN 0.374 nan 8.370 nan 0.000 0.524 469 P HA 0.052 nan 4.420 nan 0.000 0.261 469 P C 0.671 177.956 177.300 -0.025 0.000 1.268 469 P CA 0.167 63.252 63.100 -0.025 0.000 0.833 469 P CB 0.373 32.077 31.700 0.007 0.000 1.231 470 E N 0.310 120.496 120.200 -0.023 0.000 2.171 470 E HA -0.180 4.166 4.350 -0.007 0.000 0.197 470 E C 1.826 178.411 176.600 -0.025 0.000 0.997 470 E CA 1.785 58.170 56.400 -0.025 0.000 0.810 470 E CB -0.527 29.158 29.700 -0.025 0.000 0.738 470 E HN 0.454 nan 8.360 nan 0.000 0.467 471 C N -0.129 119.163 119.300 -0.012 0.000 2.522 471 C HA 0.153 4.609 4.460 -0.007 0.000 0.271 471 C C 1.585 176.629 174.990 0.091 0.000 1.425 471 C CA -0.494 58.547 59.018 0.038 0.000 1.751 471 C CB -1.004 26.757 27.740 0.035 0.000 1.775 471 C HN 0.109 nan 8.230 nan 0.000 0.557 472 R N 1.110 121.617 120.500 0.012 0.000 2.893 472 R HA 0.251 4.587 4.340 -0.007 0.000 0.317 472 R C 0.136 176.445 176.300 0.015 0.000 1.239 472 R CA -0.109 55.993 56.100 0.003 0.000 1.128 472 R CB 0.046 30.183 30.300 -0.272 0.000 1.377 472 R HN 0.603 nan 8.270 nan 0.000 0.583 473 K N 0.346 120.723 120.400 -0.038 0.000 2.180 473 K HA 0.148 4.464 4.320 -0.007 0.000 0.251 473 K C 0.101 176.584 176.600 -0.195 0.000 1.014 473 K CA -0.411 55.760 56.287 -0.194 0.000 0.913 473 K CB 0.700 33.087 32.500 -0.189 0.000 1.008 473 K HN 0.118 nan 8.250 nan 0.000 0.490 474 C N 1.896 120.865 119.300 -0.551 0.000 2.676 474 C HA 0.081 4.537 4.460 -0.007 0.000 0.416 474 C C 0.717 175.613 174.990 -0.157 0.000 1.299 474 C CA -0.733 57.909 59.018 -0.627 0.000 2.048 474 C CB -0.364 26.412 27.740 -1.607 0.000 2.713 474 C HN 0.709 nan 8.230 nan 0.000 0.624 475 M N 3.195 122.874 119.600 0.132 0.000 2.248 475 M HA 0.198 4.674 4.480 -0.007 0.000 0.345 475 M C -0.434 175.660 176.300 -0.344 0.000 1.243 475 M CA 0.454 55.700 55.300 -0.090 0.000 1.090 475 M CB 0.374 32.785 32.600 -0.316 0.000 1.683 475 M HN 0.492 nan 8.290 nan 0.000 0.450 476 V N 7.751 127.387 119.914 -0.462 0.000 2.368 476 V HA 0.063 4.179 4.120 -0.007 0.000 0.266 476 V C 0.016 175.768 176.094 -0.569 0.000 1.045 476 V CA 0.144 62.235 62.300 -0.348 0.000 0.899 476 V CB 0.085 31.787 31.823 -0.202 0.000 1.006 476 V HN 1.070 nan 8.190 nan 0.000 0.470 477 W N 0.852 122.099 121.300 -0.089 0.000 2.762 477 W HA 0.170 4.826 4.660 -0.007 0.000 0.265 477 W C 1.104 177.552 176.519 -0.119 0.000 1.263 477 W CA -0.416 56.813 57.345 -0.193 0.000 1.411 477 W CB 0.455 29.777 29.460 -0.230 0.000 1.065 477 W HN 0.462 nan 8.180 nan 0.000 0.609 478 D N 2.591 123.070 120.400 0.131 0.000 2.346 478 D HA -0.004 4.631 4.640 -0.007 0.000 0.260 478 D C -1.109 175.212 176.300 0.034 0.000 1.252 478 D CA -1.399 52.649 54.000 0.081 0.000 0.895 478 D CB 1.357 42.198 40.800 0.069 0.000 1.097 478 D HN -0.040 nan 8.370 nan 0.000 0.489 479 P HA -0.186 nan 4.420 nan 0.000 0.220 479 P C 1.615 178.918 177.300 0.004 0.000 1.144 479 P CA 0.867 63.971 63.100 0.005 0.000 0.800 479 P CB 0.211 31.915 31.700 0.006 0.000 0.772 480 M N -1.385 118.222 119.600 0.012 0.000 2.296 480 M HA -0.110 4.365 4.480 -0.007 0.000 0.265 480 M C 0.909 177.213 176.300 0.007 0.000 1.064 480 M CA 1.591 56.898 55.300 0.011 0.000 1.109 480 M CB -0.297 32.312 32.600 0.016 0.000 1.396 480 M HN -0.096 nan 8.290 nan 0.000 0.430 481 Q N -0.702 119.099 119.800 0.002 0.000 2.206 481 Q HA 0.145 4.480 4.340 -0.007 0.000 0.265 481 Q C 0.796 176.784 176.000 -0.019 0.000 0.866 481 Q CA 0.045 55.844 55.803 -0.007 0.000 1.073 481 Q CB 0.556 29.289 28.738 -0.008 0.000 1.165 481 Q HN 0.415 nan 8.270 nan 0.000 0.465 482 Q N -0.068 119.724 119.800 -0.013 0.000 2.423 482 Q HA 0.144 4.480 4.340 -0.007 0.000 0.231 482 Q C -0.244 175.769 176.000 0.021 0.000 0.894 482 Q CA 0.011 55.808 55.803 -0.011 0.000 0.938 482 Q CB 0.673 29.398 28.738 -0.021 0.000 1.079 482 Q HN 0.355 nan 8.270 nan 0.000 0.552 483 N N 1.121 119.836 118.700 0.024 0.000 2.682 483 N HA -0.127 4.609 4.740 -0.007 0.000 0.269 483 N C -0.224 175.327 175.510 0.069 0.000 1.193 483 N CA 0.374 53.449 53.050 0.040 0.000 0.660 483 N CB -0.325 38.187 38.487 0.041 0.000 0.905 483 N HN 0.249 nan 8.380 nan 0.000 0.558 484 K N 1.038 121.471 120.400 0.056 0.000 2.283 484 K HA -0.175 4.141 4.320 -0.007 0.000 0.202 484 K C 1.585 178.255 176.600 0.117 0.000 1.048 484 K CA 1.376 57.708 56.287 0.073 0.000 0.948 484 K CB 0.157 32.675 32.500 0.031 0.000 0.742 484 K HN 0.635 nan 8.250 nan 0.000 0.458 485 E N 1.344 121.599 120.200 0.091 0.000 2.031 485 E HA -0.229 4.117 4.350 -0.007 0.000 0.193 485 E C 2.037 178.709 176.600 0.121 0.000 0.994 485 E CA 0.924 57.381 56.400 0.095 0.000 0.800 485 E CB -0.038 29.700 29.700 0.064 0.000 0.752 485 E HN 0.121 nan 8.360 nan 0.000 0.447 486 L N 1.524 122.808 121.223 0.103 0.000 2.042 486 L HA -0.221 4.114 4.340 -0.007 0.000 0.210 486 L C 2.517 179.438 176.870 0.086 0.000 1.076 486 L CA 2.233 57.131 54.840 0.097 0.000 0.749 486 L CB -0.898 41.211 42.059 0.083 0.000 0.893 486 L HN 0.384 nan 8.230 nan 0.000 0.432 487 H N -0.919 118.162 119.070 0.019 0.000 2.352 487 H HA -0.145 4.407 4.556 -0.007 0.000 0.299 487 H C 1.874 177.195 175.328 -0.012 0.000 1.097 487 H CA 1.859 57.907 56.048 0.000 0.000 1.311 487 H CB 0.305 30.107 29.762 0.066 0.000 1.377 487 H HN 0.456 nan 8.280 nan 0.000 0.504 488 Q N -0.373 119.548 119.800 0.200 0.000 2.245 488 Q HA -0.111 4.225 4.340 -0.007 0.000 0.201 488 Q C 2.248 178.285 176.000 0.061 0.000 0.955 488 Q CA 1.040 56.923 55.803 0.133 0.000 0.870 488 Q CB -0.491 28.338 28.738 0.152 0.000 0.945 488 Q HN 0.678 nan 8.270 nan 0.000 0.461 489 H N 0.579 119.639 119.070 -0.016 0.000 2.321 489 H HA -0.061 4.491 4.556 -0.007 0.000 0.300 489 H C 1.855 177.115 175.328 -0.113 0.000 1.087 489 H CA 1.699 57.737 56.048 -0.016 0.000 1.319 489 H CB 0.043 29.810 29.762 0.008 0.000 1.379 489 H HN -0.045 nan 8.280 nan 0.000 0.501 490 V N 0.948 120.665 119.914 -0.330 0.000 2.453 490 V HA -0.181 3.934 4.120 -0.007 0.000 0.247 490 V C 2.562 178.446 176.094 -0.350 0.000 1.048 490 V CA 2.008 64.004 62.300 -0.508 0.000 1.049 490 V CB -0.510 30.860 31.823 -0.754 0.000 0.672 490 V HN 0.451 nan 8.190 nan 0.000 0.457 491 K N -0.027 120.192 120.400 -0.301 0.000 2.057 491 K HA -0.261 4.055 4.320 -0.007 0.000 0.207 491 K C 2.247 178.769 176.600 -0.130 0.000 1.049 491 K CA 1.970 58.128 56.287 -0.216 0.000 0.931 491 K CB -0.084 32.320 32.500 -0.159 0.000 0.714 491 K HN 0.537 nan 8.250 nan 0.000 0.440 492 Q N 0.662 120.397 119.800 -0.109 0.000 1.993 492 Q HA -0.147 4.188 4.340 -0.007 0.000 0.202 492 Q C 2.302 178.253 176.000 -0.083 0.000 0.984 492 Q CA 1.601 57.368 55.803 -0.060 0.000 0.837 492 Q CB -0.104 28.622 28.738 -0.020 0.000 0.902 492 Q HN 0.350 nan 8.270 nan 0.000 0.423 493 L N 0.433 121.554 121.223 -0.170 0.000 2.042 493 L HA -0.237 4.098 4.340 -0.007 0.000 0.210 493 L C 2.426 179.250 176.870 -0.076 0.000 1.076 493 L CA 1.059 55.814 54.840 -0.141 0.000 0.749 493 L CB -0.415 41.501 42.059 -0.238 0.000 0.893 493 L HN 0.370 nan 8.230 nan 0.000 0.432 494 I N -0.453 120.059 120.570 -0.097 0.000 2.454 494 I HA -0.261 3.905 4.170 -0.007 0.000 0.254 494 I C 2.720 178.817 176.117 -0.034 0.000 1.156 494 I CA 0.912 62.175 61.300 -0.062 0.000 1.433 494 I CB -0.395 37.552 38.000 -0.088 0.000 1.082 494 I HN 0.220 nan 8.210 nan 0.000 0.432 495 A N 0.970 123.772 122.820 -0.031 0.000 1.855 495 A HA -0.146 4.170 4.320 -0.007 0.000 0.215 495 A C 2.120 179.732 177.584 0.047 0.000 1.191 495 A CA 1.308 53.345 52.037 0.000 0.000 0.613 495 A CB -0.732 18.270 19.000 0.004 0.000 0.829 495 A HN 0.253 nan 8.150 nan 0.000 0.442 496 L N -0.285 120.979 121.223 0.069 0.000 2.012 496 L HA -0.167 4.169 4.340 -0.007 0.000 0.210 496 L C 2.608 179.591 176.870 0.188 0.000 1.073 496 L CA 2.233 57.170 54.840 0.161 0.000 0.748 496 L CB -0.759 41.351 42.059 0.084 0.000 0.891 496 L HN 0.458 nan 8.230 nan 0.000 0.431 497 R N 0.204 120.757 120.500 0.089 0.000 2.096 497 R HA -0.257 4.078 4.340 -0.007 0.000 0.240 497 R C 2.387 178.726 176.300 0.065 0.000 1.139 497 R CA 2.068 58.213 56.100 0.075 0.000 0.952 497 R CB -0.270 30.048 30.300 0.030 0.000 0.854 497 R HN 0.288 nan 8.270 nan 0.000 0.436 498 K N 0.177 120.596 120.400 0.033 0.000 2.280 498 K HA -0.204 4.112 4.320 -0.007 0.000 0.202 498 K C 1.933 178.522 176.600 -0.018 0.000 1.047 498 K CA 1.589 57.876 56.287 0.000 0.000 0.942 498 K CB 0.048 32.538 32.500 -0.016 0.000 0.739 498 K HN 0.329 nan 8.250 nan 0.000 0.457 499 Q N -0.755 119.049 119.800 0.006 0.000 2.376 499 Q HA -0.009 4.327 4.340 -0.007 0.000 0.206 499 Q C -0.673 175.094 176.000 -0.387 0.000 0.921 499 Q CA 0.305 56.022 55.803 -0.143 0.000 0.911 499 Q CB 0.464 29.155 28.738 -0.079 0.000 1.032 499 Q HN 0.193 nan 8.270 nan 0.000 0.510 500 Y N -0.191 120.103 120.300 -0.009 0.000 2.338 500 Y HA 0.320 4.865 4.550 -0.007 0.000 0.328 500 Y C 0.608 176.497 175.900 -0.018 0.000 0.965 500 Y CA -0.782 57.311 58.100 -0.011 0.000 1.208 500 Y CB 1.188 39.644 38.460 -0.006 0.000 1.132 500 Y HN -0.076 nan 8.280 nan 0.000 0.469 501 R N 0.824 121.352 120.500 0.048 0.000 2.127 501 R HA -0.183 4.152 4.340 -0.007 0.000 0.238 501 R C 1.986 178.306 176.300 0.033 0.000 1.134 501 R CA 1.951 58.066 56.100 0.024 0.000 0.975 501 R CB 0.082 30.381 30.300 -0.002 0.000 0.865 501 R HN 0.791 nan 8.270 nan 0.000 0.447 502 S N 0.074 115.811 115.700 0.061 0.000 2.419 502 S HA -0.115 4.351 4.470 -0.007 0.000 0.233 502 S C 1.917 176.520 174.600 0.004 0.000 1.016 502 S CA 0.947 59.163 58.200 0.026 0.000 0.974 502 S CB -0.325 62.898 63.200 0.038 0.000 0.786 502 S HN 0.338 nan 8.310 nan 0.000 0.492 503 L N 1.347 122.594 121.223 0.039 0.000 2.179 503 L HA 0.060 4.396 4.340 -0.007 0.000 0.208 503 L C 2.897 179.754 176.870 -0.022 0.000 1.096 503 L CA 1.250 56.099 54.840 0.014 0.000 0.779 503 L CB -0.434 41.656 42.059 0.050 0.000 0.922 503 L HN 0.478 nan 8.230 nan 0.000 0.443 504 R N -0.380 120.112 120.500 -0.014 0.000 2.308 504 R HA 0.133 4.468 4.340 -0.007 0.000 0.202 504 R C 1.526 177.793 176.300 -0.055 0.000 0.898 504 R CA 0.107 56.186 56.100 -0.035 0.000 1.046 504 R CB 0.191 30.481 30.300 -0.016 0.000 1.026 504 R HN 0.223 nan 8.270 nan 0.000 0.512 505 R N 0.459 120.929 120.500 -0.050 0.000 2.556 505 R HA 0.198 4.534 4.340 -0.007 0.000 0.276 505 R C 0.622 176.883 176.300 -0.065 0.000 0.931 505 R CA 0.201 56.274 56.100 -0.046 0.000 1.061 505 R CB 1.391 31.685 30.300 -0.010 0.000 1.432 505 R HN 0.164 nan 8.270 nan 0.000 0.547 506 G N 1.196 109.949 108.800 -0.077 0.000 2.684 506 G HA2 0.015 3.970 3.960 -0.007 0.000 0.255 506 G HA3 0.015 3.970 3.960 -0.007 0.000 0.255 506 G C -0.690 174.120 174.900 -0.151 0.000 1.219 506 G CA -0.323 44.722 45.100 -0.091 0.000 0.901 506 G HN 0.147 nan 8.290 nan 0.000 0.548 507 E N -0.961 119.151 120.200 -0.148 0.000 2.266 507 E HA 0.430 4.775 4.350 -0.007 0.000 0.277 507 E C -0.605 175.893 176.600 -0.170 0.000 1.018 507 E CA -0.693 55.595 56.400 -0.188 0.000 0.840 507 E CB 1.251 30.838 29.700 -0.189 0.000 1.082 507 E HN 0.336 nan 8.360 nan 0.000 0.395 508 I N 2.747 123.197 120.570 -0.199 0.000 2.498 508 I HA 0.357 4.523 4.170 -0.007 0.000 0.301 508 I C -0.983 175.056 176.117 -0.130 0.000 0.984 508 I CA -0.285 60.907 61.300 -0.181 0.000 1.204 508 I CB 1.595 39.445 38.000 -0.250 0.000 1.362 508 I HN 0.483 nan 8.210 nan 0.000 0.471 509 S N 5.923 121.522 115.700 -0.167 0.000 2.572 509 S HA 0.559 5.025 4.470 -0.007 0.000 0.274 509 S C -1.305 173.187 174.600 -0.181 0.000 1.150 509 S CA -0.496 57.654 58.200 -0.082 0.000 0.944 509 S CB 0.723 63.904 63.200 -0.032 0.000 1.071 509 S HN 0.388 nan 8.310 nan 0.000 0.479 510 F N 4.098 124.064 119.950 0.026 0.000 2.415 510 F HA 0.566 5.089 4.527 -0.007 0.000 0.348 510 F C -0.167 175.479 175.800 -0.256 0.000 1.119 510 F CA -0.728 57.257 58.000 -0.025 0.000 1.069 510 F CB 1.121 40.088 39.000 -0.055 0.000 1.124 510 F HN 0.337 nan 8.300 nan 0.000 0.472 511 L N 3.989 125.181 121.223 -0.052 0.000 2.343 511 L HA 0.370 4.705 4.340 -0.007 0.000 0.275 511 L C -0.100 176.631 176.870 -0.232 0.000 1.056 511 L CA -0.608 54.137 54.840 -0.159 0.000 0.804 511 L CB 0.522 42.579 42.059 -0.004 0.000 1.203 511 L HN 0.436 nan 8.230 nan 0.000 0.440 512 H N 1.874 121.028 119.070 0.139 0.000 2.519 512 H HA 0.679 5.231 4.556 -0.007 0.000 0.316 512 H C -0.107 175.290 175.328 0.116 0.000 1.065 512 H CA -0.439 55.681 56.048 0.119 0.000 1.264 512 H CB 1.446 31.257 29.762 0.081 0.000 1.413 512 H HN 0.777 nan 8.280 nan 0.000 0.465 513 A N 3.163 126.126 122.820 0.239 0.000 2.580 513 A HA 0.232 4.548 4.320 -0.007 0.000 0.275 513 A C 0.839 178.520 177.584 0.162 0.000 1.321 513 A CA -0.478 51.685 52.037 0.209 0.000 0.924 513 A CB 0.720 19.890 19.000 0.282 0.000 1.512 513 A HN 0.630 nan 8.150 nan 0.000 0.492 514 D N -0.175 120.318 120.400 0.155 0.000 2.113 514 D HA -0.072 4.564 4.640 -0.007 0.000 0.206 514 D C 0.105 176.398 176.300 -0.011 0.000 0.979 514 D CA 0.854 54.901 54.000 0.077 0.000 0.862 514 D CB -0.398 40.457 40.800 0.093 0.000 1.013 514 D HN 0.558 nan 8.370 nan 0.000 0.455 515 D N 1.695 122.011 120.400 -0.140 0.000 2.745 515 D HA -0.075 4.560 4.640 -0.007 0.000 0.229 515 D C 0.205 176.353 176.300 -0.254 0.000 1.088 515 D CA 0.075 53.837 54.000 -0.397 0.000 1.054 515 D CB -0.415 39.714 40.800 -1.119 0.000 1.132 515 D HN 0.173 nan 8.370 nan 0.000 0.464 516 E N 1.187 121.355 120.200 -0.054 0.000 2.385 516 E HA -0.099 4.246 4.350 -0.007 0.000 0.201 516 E C 1.225 177.838 176.600 0.021 0.000 1.250 516 E CA 0.076 56.500 56.400 0.041 0.000 1.104 516 E CB 0.082 29.824 29.700 0.070 0.000 1.174 516 E HN 0.510 nan 8.360 nan 0.000 0.461 517 M N -0.811 118.773 119.600 -0.027 0.000 2.564 517 M HA 0.119 4.594 4.480 -0.007 0.000 0.254 517 M C 0.719 177.074 176.300 0.092 0.000 1.299 517 M CA 0.336 55.646 55.300 0.017 0.000 1.143 517 M CB 0.672 33.247 32.600 -0.042 0.000 1.427 517 M HN -0.006 nan 8.290 nan 0.000 0.538 518 N N -0.981 117.725 118.700 0.010 0.000 2.317 518 N HA 0.140 4.875 4.740 -0.007 0.000 0.199 518 N C -0.685 175.053 175.510 0.380 0.000 1.145 518 N CA 0.128 53.250 53.050 0.120 0.000 0.882 518 N CB 0.490 38.977 38.487 -0.000 0.000 1.113 518 N HN 0.351 nan 8.380 nan 0.000 0.486 519 Y N 1.344 121.753 120.300 0.181 0.000 2.365 519 Y HA 0.336 4.882 4.550 -0.007 0.000 0.340 519 Y C -0.135 175.915 175.900 0.250 0.000 1.016 519 Y CA -0.998 57.219 58.100 0.195 0.000 1.196 519 Y CB 1.151 39.694 38.460 0.138 0.000 1.167 519 Y HN -0.126 nan 8.280 nan 0.000 0.509 520 L N 6.210 127.720 121.223 0.479 0.000 2.305 520 L HA 0.581 4.916 4.340 -0.007 0.000 0.284 520 L C -1.020 176.108 176.870 0.430 0.000 1.013 520 L CA -0.575 54.536 54.840 0.452 0.000 0.819 520 L CB 0.912 43.288 42.059 0.527 0.000 1.227 520 L HN 0.484 nan 8.230 nan 0.000 0.417 521 I N 6.492 127.298 120.570 0.394 0.000 2.499 521 I HA 0.459 4.625 4.170 -0.007 0.000 0.288 521 I C -1.336 174.950 176.117 0.282 0.000 1.048 521 I CA -0.746 60.705 61.300 0.253 0.000 1.062 521 I CB 1.607 39.704 38.000 0.162 0.000 1.238 521 I HN 0.665 nan 8.210 nan 0.000 0.426 522 Y N 4.626 124.953 120.300 0.045 0.000 2.581 522 Y HA 0.694 5.239 4.550 -0.007 0.000 0.337 522 Y C -1.590 174.250 175.900 -0.101 0.000 1.108 522 Y CA -1.398 56.613 58.100 -0.148 0.000 1.033 522 Y CB 1.335 39.524 38.460 -0.451 0.000 1.318 522 Y HN 0.536 nan 8.280 nan 0.000 0.459 523 K N 1.488 121.872 120.400 -0.026 0.000 2.375 523 K HA 0.682 4.998 4.320 -0.007 0.000 0.249 523 K C -1.486 175.113 176.600 -0.002 0.000 0.942 523 K CA -1.234 55.019 56.287 -0.057 0.000 0.806 523 K CB 2.350 34.823 32.500 -0.045 0.000 1.227 523 K HN 0.428 nan 8.250 nan 0.000 0.430 524 K N 1.804 122.195 120.400 -0.014 0.000 2.235 524 K HA 0.358 4.674 4.320 -0.007 0.000 0.266 524 K C -0.884 175.698 176.600 -0.030 0.000 0.980 524 K CA -0.624 55.648 56.287 -0.025 0.000 0.849 524 K CB 1.945 34.437 32.500 -0.013 0.000 1.098 524 K HN 0.728 nan 8.250 nan 0.000 0.445 525 T N 1.443 115.969 114.554 -0.046 0.000 2.863 525 T HA 0.372 4.717 4.350 -0.007 0.000 0.285 525 T C -1.243 173.433 174.700 -0.041 0.000 1.009 525 T CA -0.558 61.523 62.100 -0.033 0.000 0.989 525 T CB 1.290 70.137 68.868 -0.035 0.000 1.004 525 T HN 0.516 nan 8.240 nan 0.000 0.455 526 D N 1.094 121.481 120.400 -0.021 0.000 2.362 526 D HA 0.478 5.113 4.640 -0.007 0.000 0.228 526 D C 0.481 176.774 176.300 -0.011 0.000 1.326 526 D CA 0.930 54.917 54.000 -0.022 0.000 0.927 526 D CB -0.156 40.636 40.800 -0.013 0.000 1.501 526 D HN 0.886 nan 8.370 nan 0.000 0.519 527 G N 3.012 111.801 108.800 -0.018 0.000 2.512 527 G HA2 -0.306 3.650 3.960 -0.007 0.000 0.254 527 G HA3 -0.306 3.650 3.960 -0.007 0.000 0.254 527 G C 0.611 175.505 174.900 -0.011 0.000 1.199 527 G CA 0.232 45.322 45.100 -0.017 0.000 0.941 527 G HN 0.456 nan 8.290 nan 0.000 0.569 528 D N 1.251 121.646 120.400 -0.009 0.000 2.323 528 D HA 0.054 4.690 4.640 -0.007 0.000 0.209 528 D C 1.212 177.543 176.300 0.051 0.000 0.973 528 D CA 0.559 54.577 54.000 0.031 0.000 0.874 528 D CB -0.014 40.786 40.800 0.000 0.000 0.930 528 D HN 0.425 nan 8.370 nan 0.000 0.521 529 E N 1.253 121.464 120.200 0.019 0.000 2.480 529 E HA 0.027 4.372 4.350 -0.007 0.000 0.258 529 E C -0.639 175.986 176.600 0.041 0.000 0.984 529 E CA 0.846 57.268 56.400 0.036 0.000 0.930 529 E CB 0.453 30.178 29.700 0.043 0.000 0.936 529 E HN -0.052 nan 8.360 nan 0.000 0.466 530 T N 2.538 117.112 114.554 0.033 0.000 3.105 530 T HA 0.305 4.651 4.350 -0.007 0.000 0.321 530 T C -0.985 173.699 174.700 -0.027 0.000 1.135 530 T CA -0.593 61.512 62.100 0.009 0.000 1.053 530 T CB 1.469 70.352 68.868 0.025 0.000 1.133 530 T HN 0.141 nan 8.240 nan 0.000 0.463 531 V N 3.702 123.589 119.914 -0.046 0.000 2.444 531 V HA 0.557 4.672 4.120 -0.007 0.000 0.294 531 V C -0.567 175.466 176.094 -0.102 0.000 1.022 531 V CA -0.834 61.409 62.300 -0.095 0.000 0.850 531 V CB 1.575 33.319 31.823 -0.132 0.000 0.992 531 V HN 0.761 nan 8.190 nan 0.000 0.426 532 L N 7.065 128.238 121.223 -0.083 0.000 2.264 532 L HA 0.706 5.041 4.340 -0.007 0.000 0.289 532 L C -0.498 176.252 176.870 -0.200 0.000 1.044 532 L CA 0.280 55.056 54.840 -0.106 0.000 0.807 532 L CB 1.474 43.537 42.059 0.007 0.000 1.192 532 L HN 0.446 nan 8.230 nan 0.000 0.425 533 V N 6.658 126.342 119.914 -0.383 0.000 2.555 533 V HA 0.529 4.644 4.120 -0.007 0.000 0.302 533 V C -0.009 175.915 176.094 -0.284 0.000 1.038 533 V CA -0.463 61.580 62.300 -0.428 0.000 0.887 533 V CB 1.708 33.056 31.823 -0.791 0.000 0.991 533 V HN 0.630 nan 8.190 nan 0.000 0.434 534 I N 5.348 125.849 120.570 -0.116 0.000 2.545 534 I HA 0.575 4.741 4.170 -0.007 0.000 0.292 534 I C -0.876 175.315 176.117 0.123 0.000 1.040 534 I CA -0.459 60.844 61.300 0.005 0.000 1.068 534 I CB 2.144 40.118 38.000 -0.043 0.000 1.251 534 I HN 0.402 nan 8.210 nan 0.000 0.424 535 I N 4.536 125.244 120.570 0.230 0.000 2.499 535 I HA 0.244 4.410 4.170 -0.007 0.000 0.288 535 I C -0.761 175.527 176.117 0.286 0.000 1.048 535 I CA -0.625 60.872 61.300 0.328 0.000 1.062 535 I CB 2.242 40.551 38.000 0.514 0.000 1.238 535 I HN 0.508 nan 8.210 nan 0.000 0.426 536 N N 5.921 124.751 118.700 0.217 0.000 2.589 536 N HA 0.162 4.898 4.740 -0.007 0.000 0.232 536 N C -0.345 175.269 175.510 0.174 0.000 1.015 536 N CA -0.428 52.714 53.050 0.153 0.000 0.931 536 N CB 0.697 39.184 38.487 -0.001 0.000 1.150 536 N HN 0.458 nan 8.380 nan 0.000 0.512 537 R N 2.960 123.602 120.500 0.237 0.000 3.657 537 R HA 0.313 4.649 4.340 -0.007 0.000 0.220 537 R C -0.931 175.338 176.300 -0.051 0.000 1.548 537 R CA 0.053 56.257 56.100 0.173 0.000 1.465 537 R CB -0.437 29.885 30.300 0.037 0.000 1.330 537 R HN 0.489 nan 8.270 nan 0.000 0.707 538 S N 0.341 115.734 115.700 -0.511 0.000 2.671 538 S HA 0.091 4.557 4.470 -0.007 0.000 0.277 538 S C -0.498 173.440 174.600 -1.104 0.000 1.165 538 S CA -0.827 57.054 58.200 -0.530 0.000 0.822 538 S CB 1.674 64.769 63.200 -0.175 0.000 1.150 538 S HN 0.615 nan 8.310 nan 0.000 0.479 539 D N -0.051 120.061 120.400 -0.479 0.000 2.319 539 D HA 0.113 4.749 4.640 -0.007 0.000 0.230 539 D C 0.389 176.595 176.300 -0.157 0.000 1.094 539 D CA 0.062 53.911 54.000 -0.251 0.000 0.856 539 D CB -0.111 40.689 40.800 0.001 0.000 0.915 539 D HN 0.533 nan 8.370 nan 0.000 0.517 540 Q N -1.515 118.175 119.800 -0.184 0.000 2.630 540 Q HA 0.308 4.644 4.340 -0.007 0.000 0.295 540 Q C -0.902 175.054 176.000 -0.074 0.000 0.944 540 Q CA -1.226 54.523 55.803 -0.089 0.000 0.766 540 Q CB 1.227 29.938 28.738 -0.045 0.000 1.471 540 Q HN -0.228 nan 8.270 nan 0.000 0.416 541 K N 0.013 120.388 120.400 -0.042 0.000 2.542 541 K HA 0.358 4.674 4.320 -0.007 0.000 0.276 541 K C -0.682 175.906 176.600 -0.019 0.000 0.963 541 K CA 1.046 57.312 56.287 -0.035 0.000 0.975 541 K CB 0.275 32.760 32.500 -0.025 0.000 0.901 541 K HN 0.641 nan 8.250 nan 0.000 0.506 542 A N 2.385 125.180 122.820 -0.043 0.000 2.566 542 A HA 0.312 4.628 4.320 -0.007 0.000 0.297 542 A C -1.783 175.733 177.584 -0.115 0.000 1.059 542 A CA -0.936 51.070 52.037 -0.051 0.000 0.691 542 A CB 1.335 20.282 19.000 -0.088 0.000 1.282 542 A HN 0.682 nan 8.150 nan 0.000 0.401 543 D N 1.773 122.124 120.400 -0.082 0.000 2.473 543 D HA 0.484 5.120 4.640 -0.007 0.000 0.226 543 D C -0.540 175.689 176.300 -0.117 0.000 1.089 543 D CA 0.225 54.179 54.000 -0.078 0.000 0.883 543 D CB 0.808 41.596 40.800 -0.020 0.000 1.029 543 D HN 0.449 nan 8.370 nan 0.000 0.517 544 I N 4.250 124.694 120.570 -0.210 0.000 2.312 544 I HA 0.254 4.420 4.170 -0.007 0.000 0.291 544 I C -2.037 174.051 176.117 -0.049 0.000 1.031 544 I CA -2.007 59.158 61.300 -0.225 0.000 1.293 544 I CB 1.134 38.905 38.000 -0.382 0.000 1.403 544 I HN 0.071 nan 8.210 nan 0.000 0.484 545 P HA 0.175 nan 4.420 nan 0.000 0.286 545 P C -0.697 176.642 177.300 0.064 0.000 1.321 545 P CA -0.213 62.916 63.100 0.047 0.000 0.790 545 P CB 1.555 33.292 31.700 0.061 0.000 0.897 546 I N 7.225 127.833 120.570 0.064 0.000 2.330 546 I HA 0.293 4.458 4.170 -0.007 0.000 0.286 546 I C -2.358 173.799 176.117 0.066 0.000 1.025 546 I CA -3.504 57.840 61.300 0.074 0.000 1.197 546 I CB 1.614 39.666 38.000 0.087 0.000 1.358 546 I HN 0.145 nan 8.210 nan 0.000 0.467 547 P HA 0.226 nan 4.420 nan 0.000 0.271 547 P C -1.141 176.188 177.300 0.048 0.000 1.226 547 P CA -0.341 62.791 63.100 0.053 0.000 0.765 547 P CB 1.565 33.299 31.700 0.057 0.000 0.835 548 L N 2.968 124.214 121.223 0.038 0.000 2.588 548 L HA 0.321 4.657 4.340 -0.007 0.000 0.263 548 L C -0.575 176.310 176.870 0.025 0.000 0.935 548 L CA -0.550 54.310 54.840 0.033 0.000 0.891 548 L CB 1.719 43.791 42.059 0.023 0.000 1.318 548 L HN 0.311 nan 8.230 nan 0.000 0.409 549 D N 3.016 123.441 120.400 0.041 0.000 2.730 549 D HA 0.054 4.690 4.640 -0.007 0.000 0.225 549 D C 0.319 176.633 176.300 0.024 0.000 1.107 549 D CA 1.117 55.142 54.000 0.043 0.000 0.837 549 D CB 1.526 42.369 40.800 0.071 0.000 1.171 549 D HN 0.768 nan 8.370 nan 0.000 0.498 550 A N 5.132 127.961 122.820 0.015 0.000 3.819 550 A HA 0.242 4.558 4.320 -0.007 0.000 0.178 550 A C 1.272 178.862 177.584 0.011 0.000 1.817 550 A CA 1.055 53.086 52.037 -0.011 0.000 1.119 550 A CB -0.164 18.827 19.000 -0.014 0.000 1.166 550 A HN 0.874 nan 8.150 nan 0.000 0.392 551 R N -1.877 118.635 120.500 0.019 0.000 3.682 551 R HA -0.247 4.088 4.340 -0.007 0.000 0.519 551 R C 1.146 177.500 176.300 0.091 0.000 0.241 551 R CA 1.136 57.268 56.100 0.053 0.000 1.619 551 R CB -1.722 28.620 30.300 0.070 0.000 0.923 551 R HN 0.949 nan 8.270 nan 0.000 0.598 552 G N 0.910 109.805 108.800 0.159 0.000 3.356 552 G HA2 0.138 4.094 3.960 -0.007 0.000 0.239 552 G HA3 0.138 4.094 3.960 -0.007 0.000 0.239 552 G C -0.552 174.539 174.900 0.318 0.000 1.252 552 G CA 0.309 45.578 45.100 0.282 0.000 1.611 552 G HN 0.284 nan 8.290 nan 0.000 0.580 553 T N 0.450 115.102 114.554 0.163 0.000 2.779 553 T HA 0.405 4.751 4.350 -0.007 0.000 0.280 553 T C -1.130 173.528 174.700 -0.070 0.000 0.987 553 T CA -0.265 61.871 62.100 0.061 0.000 0.966 553 T CB 1.117 69.959 68.868 -0.044 0.000 0.933 553 T HN 0.310 nan 8.240 nan 0.000 0.442 554 W N 3.126 124.378 121.300 -0.080 0.000 2.632 554 W HA 0.658 5.314 4.660 -0.007 0.000 0.328 554 W C -1.127 175.201 176.519 -0.318 0.000 1.044 554 W CA -0.841 56.417 57.345 -0.146 0.000 1.225 554 W CB 1.011 30.503 29.460 0.053 0.000 1.396 554 W HN 0.333 nan 8.180 nan 0.000 0.499 555 L N 3.442 124.361 121.223 -0.506 0.000 2.317 555 L HA 0.604 4.939 4.340 -0.007 0.000 0.281 555 L C -0.303 176.276 176.870 -0.485 0.000 1.024 555 L CA -0.875 53.551 54.840 -0.690 0.000 0.810 555 L CB 1.421 42.646 42.059 -1.391 0.000 1.240 555 L HN 0.076 nan 8.230 nan 0.000 0.427 556 V N 3.094 122.904 119.914 -0.174 0.000 2.325 556 V HA 0.275 4.391 4.120 -0.007 0.000 0.280 556 V C 0.099 176.283 176.094 0.150 0.000 1.016 556 V CA -0.837 61.475 62.300 0.020 0.000 0.818 556 V CB 1.206 33.078 31.823 0.081 0.000 1.019 556 V HN 0.736 nan 8.190 nan 0.000 0.434 557 N N 4.667 123.532 118.700 0.275 0.000 2.423 557 N HA 0.076 4.811 4.740 -0.007 0.000 0.275 557 N C 1.021 176.634 175.510 0.171 0.000 1.283 557 N CA 0.179 53.453 53.050 0.373 0.000 0.932 557 N CB 0.938 39.660 38.487 0.392 0.000 1.185 557 N HN 0.663 nan 8.380 nan 0.000 0.483 558 L N 3.638 124.911 121.223 0.084 0.000 2.275 558 L HA -0.131 4.205 4.340 -0.007 0.000 0.215 558 L C 2.047 178.950 176.870 0.056 0.000 1.119 558 L CA 0.610 55.461 54.840 0.019 0.000 0.790 558 L CB -0.108 41.874 42.059 -0.128 0.000 0.919 558 L HN 0.542 nan 8.230 nan 0.000 0.443 559 L N -0.415 120.846 121.223 0.063 0.000 2.044 559 L HA -0.131 4.205 4.340 -0.007 0.000 0.205 559 L C 2.741 179.654 176.870 0.071 0.000 1.075 559 L CA 1.949 56.830 54.840 0.068 0.000 0.747 559 L CB -0.643 41.443 42.059 0.044 0.000 0.903 559 L HN 0.413 nan 8.230 nan 0.000 0.435 560 T N -4.853 109.749 114.554 0.080 0.000 3.039 560 T HA 0.255 4.600 4.350 -0.007 0.000 0.250 560 T C 1.487 176.242 174.700 0.092 0.000 1.052 560 T CA 0.646 62.793 62.100 0.079 0.000 1.125 560 T CB 0.806 69.721 68.868 0.078 0.000 0.908 560 T HN 0.422 nan 8.240 nan 0.000 0.473 561 G N 1.229 110.098 108.800 0.115 0.000 2.195 561 G HA2 -0.225 3.731 3.960 -0.007 0.000 0.224 561 G HA3 -0.225 3.731 3.960 -0.007 0.000 0.224 561 G C -0.123 174.859 174.900 0.138 0.000 0.990 561 G CA 0.127 45.298 45.100 0.118 0.000 0.639 561 G HN 0.831 nan 8.290 nan 0.000 0.514 562 E N 1.043 121.338 120.200 0.159 0.000 2.452 562 E HA 0.337 4.682 4.350 -0.007 0.000 0.261 562 E C 0.574 177.330 176.600 0.260 0.000 0.987 562 E CA 0.106 56.625 56.400 0.198 0.000 0.926 562 E CB 0.312 30.134 29.700 0.202 0.000 0.934 562 E HN 0.520 nan 8.360 nan 0.000 0.452 563 R N 2.444 123.114 120.500 0.283 0.000 2.856 563 R HA 0.679 5.014 4.340 -0.007 0.000 0.258 563 R C -0.946 175.630 176.300 0.459 0.000 1.066 563 R CA -0.681 55.601 56.100 0.304 0.000 1.045 563 R CB 1.237 31.722 30.300 0.308 0.000 1.178 563 R HN 0.553 nan 8.270 nan 0.000 0.499 564 F N -2.572 117.484 119.950 0.177 0.000 2.838 564 F HA 0.502 5.024 4.527 -0.007 0.000 0.327 564 F C -1.806 173.581 175.800 -0.688 0.000 1.132 564 F CA -1.365 56.515 58.000 -0.200 0.000 0.931 564 F CB 0.108 39.008 39.000 -0.166 0.000 1.279 564 F HN 0.636 nan 8.300 nan 0.000 0.456 565 A N 1.600 123.813 122.820 -1.012 0.000 2.246 565 A HA 0.923 5.239 4.320 -0.007 0.000 0.291 565 A C -0.098 177.234 177.584 -0.419 0.000 1.103 565 A CA -0.389 50.964 52.037 -1.140 0.000 0.844 565 A CB 0.433 18.711 19.000 -1.204 0.000 1.136 565 A HN 1.985 nan 8.150 nan 0.000 0.500 566 A N -0.387 122.216 122.820 -0.361 0.000 2.310 566 A HA 0.581 4.896 4.320 -0.007 0.000 0.299 566 A C 0.685 178.208 177.584 -0.103 0.000 1.147 566 A CA 0.176 52.122 52.037 -0.153 0.000 0.818 566 A CB 0.373 19.288 19.000 -0.142 0.000 1.096 566 A HN 0.928 nan 8.150 nan 0.000 0.495 567 E N 2.505 122.676 120.200 -0.048 0.000 2.564 567 E HA 0.106 4.451 4.350 -0.007 0.000 0.203 567 E C 1.334 177.921 176.600 -0.021 0.000 0.867 567 E CA 0.800 57.175 56.400 -0.040 0.000 1.250 567 E CB -0.682 28.994 29.700 -0.041 0.000 1.215 567 E HN 0.629 nan 8.360 nan 0.000 0.566 568 A N 1.487 124.300 122.820 -0.013 0.000 2.248 568 A HA -0.063 4.253 4.320 -0.007 0.000 0.210 568 A C 1.410 178.996 177.584 0.004 0.000 1.174 568 A CA 1.629 53.664 52.037 -0.004 0.000 0.750 568 A CB -0.913 18.087 19.000 0.000 0.000 0.780 568 A HN 0.562 nan 8.150 nan 0.000 0.478 569 E N -2.312 117.888 120.200 0.000 0.000 4.976 569 E HA -0.291 4.055 4.350 -0.007 0.000 0.222 569 E C 0.477 177.086 176.600 0.017 0.000 0.944 569 E CA 1.906 58.310 56.400 0.007 0.000 1.778 569 E CB -1.760 27.947 29.700 0.011 0.000 1.790 569 E HN 0.871 nan 8.360 nan 0.000 0.404 570 T N -0.416 114.151 114.554 0.021 0.000 3.732 570 T HA 0.481 4.827 4.350 -0.007 0.000 0.234 570 T C 0.235 174.955 174.700 0.034 0.000 1.146 570 T CA -0.736 61.383 62.100 0.032 0.000 1.454 570 T CB 0.275 69.164 68.868 0.035 0.000 0.910 570 T HN 0.152 nan 8.240 nan 0.000 0.640 571 L N 1.011 122.254 121.223 0.034 0.000 2.654 571 L HA 0.004 4.339 4.340 -0.007 0.000 0.309 571 L C 1.000 177.900 176.870 0.049 0.000 1.267 571 L CA 0.008 54.873 54.840 0.042 0.000 0.866 571 L CB -0.763 41.335 42.059 0.065 0.000 1.108 571 L HN 0.712 nan 8.230 nan 0.000 0.516 572 C N 3.262 122.583 119.300 0.035 0.000 2.369 572 C HA 0.662 5.118 4.460 -0.007 0.000 0.322 572 C C 0.375 175.379 174.990 0.022 0.000 1.258 572 C CA -0.251 58.781 59.018 0.023 0.000 1.487 572 C CB 0.998 28.743 27.740 0.008 0.000 2.165 572 C HN 0.923 nan 8.230 nan 0.000 0.483 573 T N 4.113 118.678 114.554 0.018 0.000 2.823 573 T HA 0.433 4.778 4.350 -0.007 0.000 0.279 573 T C -0.305 174.369 174.700 -0.044 0.000 0.998 573 T CA -0.210 61.898 62.100 0.014 0.000 0.994 573 T CB 1.436 70.331 68.868 0.045 0.000 0.960 573 T HN 0.647 nan 8.240 nan 0.000 0.448 574 S N 3.092 118.764 115.700 -0.046 0.000 2.429 574 S HA 0.575 5.041 4.470 -0.007 0.000 0.302 574 S C -0.435 174.121 174.600 -0.074 0.000 1.115 574 S CA -0.711 57.451 58.200 -0.062 0.000 1.095 574 S CB 0.096 63.266 63.200 -0.049 0.000 0.987 574 S HN 0.434 nan 8.310 nan 0.000 0.474 575 L N 5.355 126.525 121.223 -0.088 0.000 2.354 575 L HA 0.612 4.947 4.340 -0.007 0.000 0.269 575 L C -2.117 174.713 176.870 -0.067 0.000 1.005 575 L CA -2.411 52.378 54.840 -0.086 0.000 0.819 575 L CB 2.241 44.247 42.059 -0.088 0.000 1.311 575 L HN 0.376 nan 8.230 nan 0.000 0.423 576 P HA 0.276 nan 4.420 nan 0.000 0.289 576 P C -2.755 174.523 177.300 -0.036 0.000 1.299 576 P CA -1.980 61.098 63.100 -0.036 0.000 0.766 576 P CB -0.352 31.333 31.700 -0.025 0.000 1.226 577 P HA -0.013 nan 4.420 nan 0.000 0.263 577 P C -0.669 176.624 177.300 -0.012 0.000 1.195 577 P CA 0.848 63.874 63.100 -0.125 0.000 0.762 577 P CB -0.706 30.964 31.700 -0.049 0.000 0.799 578 Y N -0.106 120.239 120.300 0.076 0.000 3.825 578 Y HA -0.210 4.336 4.550 -0.007 0.000 0.221 578 Y C 1.401 177.414 175.900 0.189 0.000 1.195 578 Y CA 1.085 59.251 58.100 0.111 0.000 1.699 578 Y CB -2.324 36.180 38.460 0.072 0.000 1.531 578 Y HN 0.462 nan 8.280 nan 0.000 0.640 579 G N -0.166 108.755 108.800 0.201 0.000 2.562 579 G HA2 0.576 4.531 3.960 -0.007 0.000 0.275 579 G HA3 0.576 4.531 3.960 -0.007 0.000 0.275 579 G C -0.618 174.447 174.900 0.274 0.000 1.196 579 G CA 0.004 45.198 45.100 0.157 0.000 0.908 579 G HN 0.485 nan 8.290 nan 0.000 0.524 580 F N -1.863 118.099 119.950 0.021 0.000 2.693 580 F HA 0.731 5.254 4.527 -0.007 0.000 0.309 580 F C -1.300 174.465 175.800 -0.057 0.000 1.129 580 F CA -1.615 56.390 58.000 0.008 0.000 0.948 580 F CB 1.672 40.713 39.000 0.068 0.000 1.315 580 F HN 0.632 nan 8.300 nan 0.000 0.447 581 V N 2.609 122.489 119.914 -0.057 0.000 2.891 581 V HA 0.724 4.840 4.120 -0.007 0.000 0.304 581 V C -2.014 173.888 176.094 -0.320 0.000 1.171 581 V CA -0.703 61.430 62.300 -0.279 0.000 0.943 581 V CB 2.124 33.650 31.823 -0.495 0.000 1.037 581 V HN 0.831 nan 8.190 nan 0.000 0.427 582 L N 7.124 128.191 121.223 -0.260 0.000 2.322 582 L HA 0.620 4.956 4.340 -0.007 0.000 0.281 582 L C -0.906 175.857 176.870 -0.179 0.000 1.014 582 L CA -0.063 54.648 54.840 -0.214 0.000 0.815 582 L CB 1.608 43.614 42.059 -0.088 0.000 1.247 582 L HN 0.581 nan 8.230 nan 0.000 0.421 583 Y N 1.536 121.782 120.300 -0.090 0.000 2.331 583 Y HA 0.692 5.237 4.550 -0.007 0.000 0.334 583 Y C 0.242 176.049 175.900 -0.155 0.000 0.960 583 Y CA -1.364 56.674 58.100 -0.103 0.000 1.130 583 Y CB 2.057 40.466 38.460 -0.084 0.000 1.164 583 Y HN 0.671 nan 8.280 nan 0.000 0.458 584 A N 5.235 128.054 122.820 -0.002 0.000 2.362 584 A HA 0.539 4.855 4.320 -0.007 0.000 0.276 584 A C -0.514 177.032 177.584 -0.065 0.000 1.153 584 A CA -0.382 51.608 52.037 -0.078 0.000 0.813 584 A CB -0.012 18.949 19.000 -0.066 0.000 1.081 584 A HN 0.785 nan 8.150 nan 0.000 0.507 585 I N 2.757 123.267 120.570 -0.100 0.000 2.304 585 I HA 0.198 4.363 4.170 -0.007 0.000 0.291 585 I C -0.033 175.896 176.117 -0.313 0.000 1.018 585 I CA 0.078 61.254 61.300 -0.206 0.000 1.260 585 I CB 1.087 38.952 38.000 -0.226 0.000 1.390 585 I HN 0.689 nan 8.210 nan 0.000 0.475 586 E N 5.720 125.745 120.200 -0.291 0.000 2.151 586 E HA 0.352 4.697 4.350 -0.007 0.000 0.275 586 E C -0.959 175.337 176.600 -0.506 0.000 0.936 586 E CA -0.747 55.427 56.400 -0.377 0.000 0.777 586 E CB 1.463 31.093 29.700 -0.117 0.000 1.108 586 E HN 0.456 nan 8.360 nan 0.000 0.401 587 H N 2.967 121.801 119.070 -0.393 0.000 2.641 587 H HA 0.179 4.730 4.556 -0.007 0.000 0.295 587 H C -0.798 174.294 175.328 -0.392 0.000 1.070 587 H CA -0.321 55.577 56.048 -0.251 0.000 1.257 587 H CB 0.307 29.964 29.762 -0.175 0.000 1.393 587 H HN 0.496 nan 8.280 nan 0.000 0.464 588 W N 0.000 121.400 121.300 0.166 0.000 2.388 588 W HA 0.000 4.656 4.660 -0.007 0.000 0.303 588 W CA 0.000 57.409 57.345 0.106 0.000 1.226 588 W CB 0.000 29.504 29.460 0.074 0.000 1.126 588 W HN 0.000 nan 8.180 nan 0.000 0.535