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 3o4g_1_A DATA FIRST_RESID 5 DATA SEQUENCE MPVEFSRIVR DVERLIAVEK YSLQGVVDGD KLLVVGFSEG SVNAYLYDGG DATA SEQUENCE ETVKLNREPI NSVLDPHYGV GRVILVRDVS KGAEQHALFK VNTSRPGEEQ DATA SEQUENCE RLEAVKPMRI LSGVDTGEAV VFTGATEDRV ALYALDGGGL RELARLPGFG DATA SEQUENCE FVSDIRGDLI AGLGFFGGGR VSLFTSNLSS GGLRVFDSGE GSFSSASISP DATA SEQUENCE GMKVTAGLET AREARLVTVD PRDGSVEDLE LPSKDFSSYR PTAITWLGYL DATA SEQUENCE PDGRLAVVAR REGRSAVFID GERVEAPQGN HGRVVLWRGK LVTSHTSLST DATA SEQUENCE PPRIVSLPSG EPLLEGGLPE DLRRSIAGSR LVWVESFDGS RVPTYVLESG DATA SEQUENCE RAPTPGPTVV LVHGGPFAED SDSWDTFAAS LAAAGFHVVM PNYRGSTGYG DATA SEQUENCE EEWRLKIIGD PCGGELEDVS AAARWARESG LASELYIMGY SYGGYMTLCA DATA SEQUENCE LTMKPGLFKA GVAGASVVDW EEMYELSDAA FRNFIEQLTG GSREIMRSRS DATA SEQUENCE PINHVDRIKE PLALIHPQND SRTPLKPLLR LMGELLARGK TFEAHIIPDA DATA SEQUENCE GHAINTMEDA VKILLPAVFF LATQRER 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.258 176.300 -0.070 0.000 1.140 5 M CA 0.000 55.270 55.300 -0.051 0.000 0.988 5 M CB 0.000 32.578 32.600 -0.036 0.000 1.302 6 P HA 0.703 nan 4.420 nan 0.000 0.284 6 P C -0.030 177.170 177.300 -0.167 0.000 1.253 6 P CA 0.056 63.108 63.100 -0.080 0.000 0.800 6 P CB 0.651 32.332 31.700 -0.031 0.000 0.961 7 V N 0.890 120.632 119.914 -0.287 0.000 2.557 7 V HA 0.348 5.319 4.120 1.419 0.000 0.301 7 V C 0.958 176.660 176.094 -0.654 0.000 1.026 7 V CA 0.380 62.324 62.300 -0.593 0.000 1.137 7 V CB -1.016 30.178 31.823 -1.048 0.000 0.917 7 V HN 0.715 nan 8.190 nan 0.000 0.484 8 E N 4.853 124.781 120.200 -0.453 0.000 2.026 8 E HA 0.484 5.686 4.350 1.419 0.000 0.253 8 E C 0.349 176.830 176.600 -0.199 0.000 1.056 8 E CA -0.536 55.725 56.400 -0.233 0.000 0.927 8 E CB -0.236 29.391 29.700 -0.121 0.000 1.172 8 E HN 0.691 nan 8.360 nan 0.000 0.445 9 F N 0.822 120.704 119.950 -0.114 0.000 2.102 9 F HA -0.174 5.202 4.527 1.417 0.000 0.298 9 F C 2.912 178.752 175.800 0.065 0.000 1.105 9 F CA 2.261 60.169 58.000 -0.153 0.000 1.239 9 F CB -0.258 38.539 39.000 -0.337 0.000 0.991 9 F HN 0.495 nan 8.300 nan 0.000 0.474 10 S N -0.441 115.401 115.700 0.235 0.000 2.419 10 S HA -0.199 5.122 4.470 1.419 0.000 0.233 10 S C 2.109 176.790 174.600 0.135 0.000 1.016 10 S CA 1.144 59.450 58.200 0.177 0.000 0.974 10 S CB -0.799 62.471 63.200 0.117 0.000 0.786 10 S HN 0.275 nan 8.310 nan 0.000 0.492 11 R N 1.275 121.834 120.500 0.098 0.000 2.057 11 R HA 0.212 5.403 4.340 1.419 0.000 0.229 11 R C 2.233 178.587 176.300 0.090 0.000 1.136 11 R CA 1.272 57.412 56.100 0.067 0.000 0.952 11 R CB -1.458 28.858 30.300 0.026 0.000 0.848 11 R HN 0.703 nan 8.270 nan 0.000 0.430 12 I N 0.649 121.291 120.570 0.121 0.000 2.151 12 I HA -0.297 4.724 4.170 1.419 0.000 0.243 12 I C 2.473 178.698 176.117 0.180 0.000 1.080 12 I CA 2.077 63.480 61.300 0.171 0.000 1.339 12 I CB -0.432 37.735 38.000 0.280 0.000 1.039 12 I HN 0.150 nan 8.210 nan 0.000 0.409 13 V N 0.657 120.716 119.914 0.241 0.000 2.255 13 V HA -0.322 4.649 4.120 1.419 0.000 0.247 13 V C 2.578 178.718 176.094 0.076 0.000 1.051 13 V CA 2.318 64.705 62.300 0.145 0.000 1.018 13 V CB -0.960 30.973 31.823 0.182 0.000 0.641 13 V HN 0.418 nan 8.190 nan 0.000 0.445 14 R N 0.346 120.895 120.500 0.083 0.000 2.083 14 R HA -0.199 4.992 4.340 1.419 0.000 0.237 14 R C 2.032 178.358 176.300 0.043 0.000 1.137 14 R CA 2.224 58.356 56.100 0.054 0.000 0.951 14 R CB -0.473 29.858 30.300 0.051 0.000 0.851 14 R HN 0.543 nan 8.270 nan 0.000 0.434 15 D N -0.369 120.061 120.400 0.051 0.000 2.097 15 D HA -0.134 5.357 4.640 1.419 0.000 0.195 15 D C 1.956 178.278 176.300 0.036 0.000 0.989 15 D CA 1.412 55.440 54.000 0.046 0.000 0.827 15 D CB -0.344 40.488 40.800 0.053 0.000 0.966 15 D HN 0.090 nan 8.370 nan 0.000 0.456 16 V N 1.134 121.065 119.914 0.027 0.000 2.287 16 V HA -0.245 4.727 4.120 1.419 0.000 0.248 16 V C 2.349 178.428 176.094 -0.026 0.000 1.053 16 V CA 1.701 63.995 62.300 -0.010 0.000 1.027 16 V CB -0.426 31.373 31.823 -0.038 0.000 0.646 16 V HN 0.217 nan 8.190 nan 0.000 0.447 17 E N -0.233 119.959 120.200 -0.013 0.000 2.070 17 E HA -0.280 4.921 4.350 1.419 0.000 0.197 17 E C 2.439 179.038 176.600 -0.002 0.000 1.004 17 E CA 1.641 58.034 56.400 -0.010 0.000 0.805 17 E CB -0.149 29.554 29.700 0.005 0.000 0.744 17 E HN 0.514 nan 8.360 nan 0.000 0.451 18 R N 0.043 120.549 120.500 0.010 0.000 2.148 18 R HA -0.020 5.172 4.340 1.419 0.000 0.223 18 R C 2.252 178.557 176.300 0.009 0.000 1.088 18 R CA 0.557 56.663 56.100 0.011 0.000 0.985 18 R CB -0.015 30.296 30.300 0.018 0.000 0.880 18 R HN 0.165 nan 8.270 nan 0.000 0.451 19 L N -0.170 121.069 121.223 0.027 0.000 2.240 19 L HA -0.016 5.175 4.340 1.419 0.000 0.211 19 L C 1.964 178.840 176.870 0.010 0.000 1.106 19 L CA 0.843 55.731 54.840 0.080 0.000 0.793 19 L CB -0.114 42.023 42.059 0.130 0.000 0.927 19 L HN 0.172 nan 8.230 nan 0.000 0.446 20 I N -0.353 120.174 120.570 -0.072 0.000 2.400 20 I HA -0.153 4.868 4.170 1.419 0.000 0.248 20 I C 2.774 178.797 176.117 -0.157 0.000 1.109 20 I CA 0.880 62.066 61.300 -0.189 0.000 1.425 20 I CB -0.383 37.512 38.000 -0.175 0.000 1.094 20 I HN 0.139 nan 8.210 nan 0.000 0.425 21 A N 0.587 123.395 122.820 -0.020 0.000 1.908 21 A HA -0.120 5.051 4.320 1.419 0.000 0.218 21 A C 1.554 179.163 177.584 0.042 0.000 1.181 21 A CA 0.718 52.799 52.037 0.073 0.000 0.627 21 A CB -0.855 18.170 19.000 0.041 0.000 0.818 21 A HN 0.194 nan 8.150 nan 0.000 0.445 22 V N 1.419 121.302 119.914 -0.052 0.000 2.720 22 V HA 0.019 4.990 4.120 1.419 0.000 0.307 22 V C 0.126 176.135 176.094 -0.142 0.000 1.071 22 V CA -0.079 62.154 62.300 -0.113 0.000 1.199 22 V CB -0.034 31.669 31.823 -0.199 0.000 0.900 22 V HN 0.669 nan 8.190 nan 0.000 0.494 23 E N 5.661 125.772 120.200 -0.148 0.000 2.383 23 E HA 0.419 5.621 4.350 1.419 0.000 0.264 23 E C -0.606 175.737 176.600 -0.428 0.000 1.050 23 E CA 0.174 56.415 56.400 -0.266 0.000 0.896 23 E CB 0.576 30.090 29.700 -0.310 0.000 0.982 23 E HN 0.627 nan 8.360 nan 0.000 0.424 24 K N 2.002 122.045 120.400 -0.596 0.000 2.513 24 K HA 0.392 5.564 4.320 1.419 0.000 0.251 24 K C -1.438 174.859 176.600 -0.505 0.000 0.939 24 K CA -0.633 55.393 56.287 -0.435 0.000 0.793 24 K CB 1.440 33.782 32.500 -0.263 0.000 1.241 24 K HN 0.415 nan 8.250 nan 0.000 0.431 25 Y N -0.120 120.130 120.300 -0.084 0.000 2.499 25 Y HA 0.487 5.890 4.550 1.422 0.000 0.347 25 Y C 0.015 175.871 175.900 -0.074 0.000 0.987 25 Y CA -0.827 57.225 58.100 -0.081 0.000 1.044 25 Y CB 2.663 41.043 38.460 -0.133 0.000 1.245 25 Y HN 0.466 nan 8.280 nan 0.000 0.461 26 S N 2.276 118.041 115.700 0.109 0.000 2.547 26 S HA 0.538 5.860 4.470 1.419 0.000 0.281 26 S C -2.028 172.565 174.600 -0.012 0.000 1.118 26 S CA -0.574 57.639 58.200 0.023 0.000 0.947 26 S CB 0.921 64.127 63.200 0.010 0.000 1.053 26 S HN 0.561 nan 8.310 nan 0.000 0.482 27 L N 4.870 126.049 121.223 -0.073 0.000 2.265 27 L HA 0.558 5.750 4.340 1.419 0.000 0.288 27 L C 0.741 177.533 176.870 -0.130 0.000 1.058 27 L CA 0.393 55.162 54.840 -0.118 0.000 0.809 27 L CB 1.051 43.012 42.059 -0.163 0.000 1.179 27 L HN 0.756 nan 8.230 nan 0.000 0.429 28 Q N 3.849 123.586 119.800 -0.105 0.000 2.353 28 Q HA 0.487 5.679 4.340 1.419 0.000 0.240 28 Q C 0.589 176.516 176.000 -0.121 0.000 0.868 28 Q CA 0.629 56.376 55.803 -0.094 0.000 0.944 28 Q CB 1.402 30.111 28.738 -0.048 0.000 1.104 28 Q HN 0.904 nan 8.270 nan 0.000 0.531 29 G N -0.358 108.353 108.800 -0.149 0.000 2.351 29 G HA2 0.273 5.084 3.960 1.419 0.000 0.279 29 G HA3 0.273 5.084 3.960 1.419 0.000 0.279 29 G C -1.781 172.991 174.900 -0.213 0.000 1.297 29 G CA -0.503 44.462 45.100 -0.225 0.000 0.886 29 G HN -0.089 nan 8.290 nan 0.000 0.493 30 V N 0.328 120.049 119.914 -0.321 0.000 2.656 30 V HA 0.821 5.792 4.120 1.419 0.000 0.307 30 V C 0.220 176.281 176.094 -0.055 0.000 1.051 30 V CA -0.198 62.035 62.300 -0.113 0.000 0.893 30 V CB 1.288 33.145 31.823 0.056 0.000 0.999 30 V HN 1.718 nan 8.190 nan 0.000 0.426 31 V N -0.169 119.775 119.914 0.050 0.000 3.130 31 V HA 0.762 5.733 4.120 1.419 0.000 0.310 31 V C -0.067 176.090 176.094 0.106 0.000 1.158 31 V CA -0.796 61.546 62.300 0.070 0.000 1.029 31 V CB 1.847 33.697 31.823 0.044 0.000 1.057 31 V HN 0.750 nan 8.190 nan 0.000 0.436 32 D N 1.051 121.509 120.400 0.098 0.000 2.772 32 D HA -0.064 5.428 4.640 1.419 0.000 0.233 32 D C 1.086 177.449 176.300 0.104 0.000 1.143 32 D CA 2.688 56.741 54.000 0.090 0.000 0.700 32 D CB -1.163 39.681 40.800 0.073 0.000 1.076 32 D HN 2.026 nan 8.370 nan 0.000 0.430 33 G N -0.724 108.153 108.800 0.129 0.000 5.064 33 G HA2 -0.134 4.678 3.960 1.419 0.000 0.277 33 G HA3 -0.134 4.678 3.960 1.419 0.000 0.277 33 G C 0.346 175.354 174.900 0.180 0.000 1.580 33 G CA 0.602 45.780 45.100 0.129 0.000 1.109 33 G HN 1.163 nan 8.290 nan 0.000 0.695 34 D N 1.016 121.532 120.400 0.194 0.000 2.621 34 D HA 0.600 6.092 4.640 1.419 0.000 0.274 34 D C -0.347 176.238 176.300 0.474 0.000 1.215 34 D CA 0.112 54.298 54.000 0.310 0.000 0.810 34 D CB 0.280 41.124 40.800 0.073 0.000 1.248 34 D HN 0.439 nan 8.370 nan 0.000 0.517 35 K N 1.758 122.384 120.400 0.376 0.000 2.578 35 K HA 0.383 5.554 4.320 1.419 0.000 0.250 35 K C -0.835 175.819 176.600 0.090 0.000 0.955 35 K CA -0.922 55.505 56.287 0.232 0.000 0.825 35 K CB 2.609 35.187 32.500 0.130 0.000 1.151 35 K HN 0.220 nan 8.250 nan 0.000 0.432 36 L N 2.925 124.088 121.223 -0.101 0.000 2.453 36 L HA 0.161 5.353 4.340 1.419 0.000 0.272 36 L C 0.294 177.129 176.870 -0.059 0.000 1.182 36 L CA -0.269 54.453 54.840 -0.196 0.000 0.858 36 L CB -0.486 41.337 42.059 -0.393 0.000 1.120 36 L HN 0.479 nan 8.230 nan 0.000 0.474 37 L N 5.828 127.016 121.223 -0.059 0.000 2.255 37 L HA 0.497 5.689 4.340 1.419 0.000 0.289 37 L C -0.307 176.552 176.870 -0.019 0.000 1.046 37 L CA -0.172 54.657 54.840 -0.017 0.000 0.816 37 L CB 1.275 43.318 42.059 -0.027 0.000 1.197 37 L HN 0.386 nan 8.230 nan 0.000 0.427 38 V N 6.031 125.970 119.914 0.043 0.000 2.540 38 V HA 0.637 5.608 4.120 1.419 0.000 0.302 38 V C -0.774 175.423 176.094 0.171 0.000 1.035 38 V CA -0.536 61.805 62.300 0.068 0.000 0.873 38 V CB 2.083 33.923 31.823 0.029 0.000 0.992 38 V HN 0.450 nan 8.190 nan 0.000 0.428 39 V N 6.048 126.038 119.914 0.125 0.000 2.498 39 V HA 0.837 5.808 4.120 1.419 0.000 0.279 39 V C 0.929 177.132 176.094 0.182 0.000 1.048 39 V CA 0.747 63.133 62.300 0.144 0.000 0.967 39 V CB 1.109 32.973 31.823 0.067 0.000 0.988 39 V HN 1.262 nan 8.190 nan 0.000 0.473 40 G N 3.178 112.115 108.800 0.228 0.000 2.667 40 G HA2 0.557 5.368 3.960 1.419 0.000 0.298 40 G HA3 0.557 5.368 3.960 1.419 0.000 0.298 40 G C -1.604 173.317 174.900 0.036 0.000 1.377 40 G CA -0.607 44.521 45.100 0.047 0.000 0.964 40 G HN 0.461 nan 8.290 nan 0.000 0.493 41 F N 2.574 122.387 119.950 -0.228 0.000 2.413 41 F HA 0.684 6.061 4.527 1.417 0.000 0.359 41 F C 0.374 176.027 175.800 -0.243 0.000 1.122 41 F CA -0.208 57.687 58.000 -0.175 0.000 1.160 41 F CB 1.158 40.054 39.000 -0.173 0.000 1.146 41 F HN 0.504 nan 8.300 nan 0.000 0.514 42 S N 3.624 119.103 115.700 -0.367 0.000 2.567 42 S HA 0.370 5.691 4.470 1.419 0.000 0.270 42 S C -0.604 173.852 174.600 -0.240 0.000 1.152 42 S CA -0.636 57.429 58.200 -0.224 0.000 0.835 42 S CB 1.227 64.320 63.200 -0.179 0.000 1.115 42 S HN 0.583 nan 8.310 nan 0.000 0.459 43 E N 0.999 121.117 120.200 -0.137 0.000 2.325 43 E HA -0.191 5.011 4.350 1.419 0.000 0.232 43 E C 0.927 177.403 176.600 -0.208 0.000 1.276 43 E CA 1.926 58.256 56.400 -0.116 0.000 0.717 43 E CB -1.576 28.090 29.700 -0.057 0.000 1.192 43 E HN 1.686 nan 8.360 nan 0.000 0.380 44 G N -1.739 106.861 108.800 -0.333 0.000 2.199 44 G HA2 -0.312 4.500 3.960 1.419 0.000 0.254 44 G HA3 -0.312 4.500 3.960 1.419 0.000 0.254 44 G C 0.238 174.739 174.900 -0.665 0.000 0.982 44 G CA 0.574 45.471 45.100 -0.339 0.000 0.632 44 G HN 1.223 nan 8.290 nan 0.000 0.529 45 S N -1.541 113.623 115.700 -0.893 0.000 2.579 45 S HA 0.724 6.045 4.470 1.419 0.000 0.272 45 S C -0.550 173.663 174.600 -0.646 0.000 1.141 45 S CA -0.374 57.422 58.200 -0.673 0.000 0.843 45 S CB 2.569 65.588 63.200 -0.301 0.000 1.122 45 S HN 1.081 nan 8.310 nan 0.000 0.468 46 V N 3.175 122.912 119.914 -0.294 0.000 2.470 46 V HA 0.392 5.363 4.120 1.419 0.000 0.276 46 V C -0.234 175.798 176.094 -0.103 0.000 1.040 46 V CA -0.086 62.156 62.300 -0.096 0.000 1.008 46 V CB -0.293 31.560 31.823 0.050 0.000 0.990 46 V HN 0.822 nan 8.190 nan 0.000 0.477 47 N N 2.594 121.256 118.700 -0.063 0.000 2.455 47 N HA 0.758 6.350 4.740 1.419 0.000 0.278 47 N C -0.689 174.709 175.510 -0.188 0.000 1.291 47 N CA -0.494 52.446 53.050 -0.182 0.000 0.780 47 N CB 2.344 40.650 38.487 -0.302 0.000 1.520 47 N HN 0.658 nan 8.380 nan 0.000 0.486 48 A N 0.826 123.424 122.820 -0.371 0.000 2.304 48 A HA 0.734 5.905 4.320 1.419 0.000 0.323 48 A C -1.537 175.785 177.584 -0.436 0.000 1.195 48 A CA -0.327 51.570 52.037 -0.234 0.000 0.826 48 A CB 0.227 19.145 19.000 -0.138 0.000 1.184 48 A HN 0.569 nan 8.150 nan 0.000 0.496 49 Y N 0.787 121.094 120.300 0.011 0.000 2.536 49 Y HA 0.553 5.954 4.550 1.418 0.000 0.347 49 Y C -0.121 175.789 175.900 0.018 0.000 1.000 49 Y CA -0.842 57.271 58.100 0.022 0.000 1.051 49 Y CB 1.849 40.342 38.460 0.054 0.000 1.259 49 Y HN 0.521 nan 8.280 nan 0.000 0.468 50 L N 2.803 124.129 121.223 0.172 0.000 2.289 50 L HA 0.361 5.553 4.340 1.419 0.000 0.285 50 L C -1.121 175.826 176.870 0.128 0.000 1.049 50 L CA -0.778 54.127 54.840 0.109 0.000 0.804 50 L CB 0.989 43.084 42.059 0.061 0.000 1.195 50 L HN 0.637 nan 8.230 nan 0.000 0.428 51 Y N 3.150 123.425 120.300 -0.042 0.000 2.377 51 Y HA 0.555 5.957 4.550 1.419 0.000 0.339 51 Y C -0.746 175.124 175.900 -0.051 0.000 1.011 51 Y CA -0.315 57.729 58.100 -0.093 0.000 1.093 51 Y CB 1.720 40.042 38.460 -0.229 0.000 1.201 51 Y HN 0.636 nan 8.280 nan 0.000 0.455 52 D N 2.433 122.374 120.400 -0.766 0.000 2.728 52 D HA 0.361 5.853 4.640 1.419 0.000 0.249 52 D C -0.069 175.935 176.300 -0.493 0.000 1.225 52 D CA 0.273 54.052 54.000 -0.368 0.000 0.748 52 D CB 1.235 42.057 40.800 0.037 0.000 1.326 52 D HN 0.959 nan 8.370 nan 0.000 0.426 53 G N 1.008 109.708 108.800 -0.166 0.000 2.356 53 G HA2 0.156 4.968 3.960 1.419 0.000 0.296 53 G HA3 0.156 4.968 3.960 1.419 0.000 0.296 53 G C 1.152 175.957 174.900 -0.158 0.000 1.022 53 G CA 1.270 46.311 45.100 -0.099 0.000 0.961 53 G HN 1.745 nan 8.290 nan 0.000 0.510 54 G N -1.542 107.126 108.800 -0.220 0.000 2.233 54 G HA2 -0.220 4.591 3.960 1.419 0.000 0.270 54 G HA3 -0.220 4.591 3.960 1.419 0.000 0.270 54 G C 0.140 174.977 174.900 -0.106 0.000 1.011 54 G CA 1.252 46.324 45.100 -0.046 0.000 0.762 54 G HN 1.098 nan 8.290 nan 0.000 0.511 55 E N -0.640 119.365 120.200 -0.325 0.000 2.392 55 E HA 0.622 5.824 4.350 1.419 0.000 0.269 55 E C -0.253 176.249 176.600 -0.164 0.000 0.924 55 E CA -0.318 55.987 56.400 -0.158 0.000 0.784 55 E CB 1.861 31.499 29.700 -0.104 0.000 1.292 55 E HN 0.361 nan 8.360 nan 0.000 0.447 56 T N -1.978 112.573 114.554 -0.005 0.000 2.885 56 T HA 0.620 5.821 4.350 1.419 0.000 0.285 56 T C -0.254 174.510 174.700 0.107 0.000 1.019 56 T CA -0.748 61.401 62.100 0.082 0.000 1.010 56 T CB 1.284 70.221 68.868 0.116 0.000 1.022 56 T HN 0.164 nan 8.240 nan 0.000 0.466 57 V N 2.055 122.048 119.914 0.133 0.000 2.555 57 V HA 0.525 5.496 4.120 1.419 0.000 0.302 57 V C 0.190 176.361 176.094 0.127 0.000 1.038 57 V CA -1.147 61.216 62.300 0.105 0.000 0.887 57 V CB 1.731 33.580 31.823 0.043 0.000 0.991 57 V HN 1.012 nan 8.190 nan 0.000 0.434 58 K N 2.842 123.271 120.400 0.049 0.000 2.297 58 K HA 0.442 5.613 4.320 1.419 0.000 0.286 58 K C 0.306 176.801 176.600 -0.174 0.000 1.053 58 K CA -0.371 55.796 56.287 -0.200 0.000 0.940 58 K CB 0.934 33.321 32.500 -0.189 0.000 1.019 58 K HN 0.660 nan 8.250 nan 0.000 0.475 59 L N 2.952 124.035 121.223 -0.233 0.000 2.221 59 L HA -0.031 5.161 4.340 1.419 0.000 0.202 59 L C 1.065 177.852 176.870 -0.139 0.000 1.074 59 L CA 0.116 54.874 54.840 -0.137 0.000 0.795 59 L CB -0.231 41.763 42.059 -0.108 0.000 0.960 59 L HN 0.740 nan 8.230 nan 0.000 0.458 60 N N 0.120 118.701 118.700 -0.198 0.000 2.413 60 N HA 0.201 5.793 4.740 1.419 0.000 0.266 60 N C 0.693 176.102 175.510 -0.168 0.000 1.238 60 N CA 0.288 53.230 53.050 -0.180 0.000 0.972 60 N CB 0.841 39.202 38.487 -0.210 0.000 1.210 60 N HN -0.073 nan 8.380 nan 0.000 0.547 61 R N 0.124 120.527 120.500 -0.161 0.000 1.970 61 R HA 0.142 5.333 4.340 1.419 0.000 0.200 61 R C 0.906 177.116 176.300 -0.149 0.000 1.457 61 R CA 0.487 56.505 56.100 -0.135 0.000 1.139 61 R CB -1.439 28.795 30.300 -0.110 0.000 0.977 61 R HN 0.750 nan 8.270 nan 0.000 0.477 62 E N 1.446 121.544 120.200 -0.169 0.000 2.392 62 E HA 0.255 5.456 4.350 1.419 0.000 0.259 62 E C -2.166 174.331 176.600 -0.172 0.000 1.108 62 E CA -2.265 54.040 56.400 -0.159 0.000 0.916 62 E CB 0.573 30.176 29.700 -0.162 0.000 0.989 62 E HN 0.193 nan 8.360 nan 0.000 0.432 63 P HA 0.018 nan 4.420 nan 0.000 0.267 63 P C -0.258 176.969 177.300 -0.122 0.000 1.201 63 P CA 0.519 63.541 63.100 -0.129 0.000 0.775 63 P CB 0.332 31.973 31.700 -0.100 0.000 0.854 64 I N -1.455 119.055 120.570 -0.099 0.000 3.206 64 I HA 0.475 5.497 4.170 1.419 0.000 0.313 64 I C 0.194 176.301 176.117 -0.017 0.000 1.103 64 I CA -0.928 60.327 61.300 -0.074 0.000 0.985 64 I CB 2.311 40.253 38.000 -0.096 0.000 1.240 64 I HN 0.040 nan 8.210 nan 0.000 0.464 65 N N 0.117 118.821 118.700 0.007 0.000 2.482 65 N HA 0.152 5.743 4.740 1.419 0.000 0.179 65 N C -0.075 175.440 175.510 0.008 0.000 1.039 65 N CA 0.805 53.872 53.050 0.029 0.000 0.884 65 N CB 0.510 39.029 38.487 0.054 0.000 1.113 65 N HN 0.875 nan 8.380 nan 0.000 0.440 66 S N -1.345 114.345 115.700 -0.017 0.000 2.715 66 S HA 0.554 5.876 4.470 1.419 0.000 0.284 66 S C -1.503 173.089 174.600 -0.013 0.000 1.216 66 S CA -0.650 57.545 58.200 -0.008 0.000 0.970 66 S CB 0.527 63.727 63.200 0.001 0.000 1.273 66 S HN 0.099 nan 8.310 nan 0.000 0.509 67 V N -1.014 118.898 119.914 -0.002 0.000 3.130 67 V HA 0.752 5.723 4.120 1.419 0.000 0.310 67 V C -0.658 175.445 176.094 0.014 0.000 1.158 67 V CA -1.273 61.028 62.300 0.002 0.000 1.029 67 V CB 1.137 32.959 31.823 -0.001 0.000 1.057 67 V HN 1.013 nan 8.190 nan 0.000 0.436 68 L N 0.966 122.202 121.223 0.022 0.000 2.453 68 L HA 0.504 5.695 4.340 1.419 0.000 0.261 68 L C 0.959 177.847 176.870 0.029 0.000 1.179 68 L CA 0.543 55.408 54.840 0.043 0.000 0.813 68 L CB 0.351 42.444 42.059 0.057 0.000 1.110 68 L HN 1.040 nan 8.230 nan 0.000 0.466 69 D N 3.003 123.423 120.400 0.032 0.000 2.371 69 D HA 0.333 5.825 4.640 1.419 0.000 0.256 69 D C -2.349 173.934 176.300 -0.029 0.000 1.193 69 D CA -1.264 52.732 54.000 -0.007 0.000 0.881 69 D CB 0.239 41.037 40.800 -0.002 0.000 1.143 69 D HN 0.274 nan 8.370 nan 0.000 0.473 70 P HA 0.249 nan 4.420 nan 0.000 0.297 70 P C -0.514 176.768 177.300 -0.029 0.000 1.319 70 P CA -0.509 62.585 63.100 -0.010 0.000 0.810 70 P CB 0.773 32.470 31.700 -0.005 0.000 0.947 71 H N 2.087 121.196 119.070 0.067 0.000 2.895 71 H HA -0.003 5.405 4.556 1.420 0.000 0.371 71 H C 0.184 175.579 175.328 0.112 0.000 1.219 71 H CA 0.930 57.054 56.048 0.127 0.000 1.431 71 H CB 0.162 30.023 29.762 0.165 0.000 1.414 71 H HN 0.391 nan 8.280 nan 0.000 0.617 72 Y N -0.186 120.269 120.300 0.258 0.000 2.729 72 Y HA 0.056 5.458 4.550 1.420 0.000 0.331 72 Y C 1.619 177.602 175.900 0.139 0.000 1.208 72 Y CA 1.344 59.548 58.100 0.173 0.000 1.521 72 Y CB 0.149 38.705 38.460 0.159 0.000 1.233 72 Y HN 0.917 nan 8.280 nan 0.000 0.539 73 G N 1.100 110.030 108.800 0.217 0.000 2.159 73 G HA2 -0.293 4.518 3.960 1.419 0.000 0.227 73 G HA3 -0.293 4.518 3.960 1.419 0.000 0.227 73 G C 0.858 175.830 174.900 0.121 0.000 0.986 73 G CA 0.130 45.330 45.100 0.167 0.000 0.651 73 G HN 0.574 nan 8.290 nan 0.000 0.523 74 V N 0.216 120.199 119.914 0.114 0.000 2.231 74 V HA 0.170 5.142 4.120 1.419 0.000 0.250 74 V C 2.697 178.836 176.094 0.076 0.000 1.058 74 V CA 3.475 65.834 62.300 0.099 0.000 1.022 74 V CB -0.903 30.978 31.823 0.097 0.000 0.640 74 V HN 2.157 nan 8.190 nan 0.000 0.445 75 G N 0.263 109.103 108.800 0.066 0.000 2.192 75 G HA2 -0.157 4.654 3.960 1.419 0.000 0.193 75 G HA3 -0.157 4.654 3.960 1.419 0.000 0.193 75 G C 0.206 175.133 174.900 0.046 0.000 0.999 75 G CA 0.072 45.204 45.100 0.054 0.000 0.659 75 G HN 0.873 nan 8.290 nan 0.000 0.503 76 R N -1.296 119.232 120.500 0.047 0.000 2.692 76 R HA 0.776 5.967 4.340 1.419 0.000 0.269 76 R C -1.805 174.518 176.300 0.038 0.000 1.030 76 R CA -0.889 55.235 56.100 0.041 0.000 0.882 76 R CB 1.632 31.957 30.300 0.042 0.000 1.250 76 R HN 0.304 nan 8.270 nan 0.000 0.465 77 V N 2.440 122.372 119.914 0.031 0.000 2.680 77 V HA 0.464 5.435 4.120 1.419 0.000 0.309 77 V C -0.375 175.738 176.094 0.032 0.000 1.052 77 V CA -1.017 61.298 62.300 0.025 0.000 0.908 77 V CB 2.031 33.860 31.823 0.011 0.000 1.001 77 V HN 0.576 nan 8.190 nan 0.000 0.431 78 I N 5.530 126.120 120.570 0.033 0.000 2.307 78 I HA 0.369 5.390 4.170 1.419 0.000 0.289 78 I C 0.034 176.172 176.117 0.036 0.000 1.021 78 I CA -0.208 61.114 61.300 0.037 0.000 1.224 78 I CB 1.114 39.129 38.000 0.026 0.000 1.376 78 I HN 0.384 nan 8.210 nan 0.000 0.470 79 L N 6.453 127.715 121.223 0.065 0.000 2.395 79 L HA 0.450 5.642 4.340 1.419 0.000 0.269 79 L C -0.079 176.849 176.870 0.097 0.000 1.133 79 L CA -0.706 54.167 54.840 0.055 0.000 0.812 79 L CB 1.104 43.182 42.059 0.033 0.000 1.125 79 L HN 0.212 nan 8.230 nan 0.000 0.452 80 V N 3.281 123.219 119.914 0.041 0.000 2.409 80 V HA 0.525 5.497 4.120 1.419 0.000 0.291 80 V C -0.122 176.006 176.094 0.057 0.000 1.020 80 V CA -0.628 61.695 62.300 0.037 0.000 0.848 80 V CB 1.530 33.302 31.823 -0.084 0.000 0.990 80 V HN 0.733 nan 8.190 nan 0.000 0.430 81 R N 2.616 123.219 120.500 0.173 0.000 2.538 81 R HA 0.330 5.522 4.340 1.419 0.000 0.292 81 R C -1.135 175.329 176.300 0.273 0.000 1.008 81 R CA -0.667 55.519 56.100 0.145 0.000 0.896 81 R CB 1.655 31.915 30.300 -0.067 0.000 1.187 81 R HN 0.775 nan 8.270 nan 0.000 0.440 82 D N 3.739 124.306 120.400 0.279 0.000 2.434 82 D HA 0.002 5.494 4.640 1.419 0.000 0.252 82 D C 0.625 176.977 176.300 0.086 0.000 1.185 82 D CA 0.223 54.317 54.000 0.156 0.000 0.886 82 D CB 1.330 42.195 40.800 0.108 0.000 1.148 82 D HN 0.373 nan 8.370 nan 0.000 0.483 83 V N 1.633 121.588 119.914 0.068 0.000 3.043 83 V HA 0.241 5.212 4.120 1.419 0.000 0.357 83 V C 0.706 176.815 176.094 0.025 0.000 1.372 83 V CA 0.301 62.641 62.300 0.066 0.000 1.214 83 V CB -0.285 31.607 31.823 0.116 0.000 1.224 83 V HN 0.472 nan 8.190 nan 0.000 0.507 84 S N -0.929 114.771 115.700 0.000 0.000 2.843 84 S HA 0.357 5.679 4.470 1.419 0.000 0.249 84 S C 0.488 175.086 174.600 -0.003 0.000 1.047 84 S CA -0.195 57.999 58.200 -0.010 0.000 1.042 84 S CB -0.232 62.948 63.200 -0.033 0.000 0.936 84 S HN 0.581 nan 8.310 nan 0.000 0.531 85 K N 0.544 120.948 120.400 0.006 0.000 3.069 85 K HA -0.188 4.984 4.320 1.419 0.000 0.267 85 K C 0.942 177.553 176.600 0.018 0.000 1.082 85 K CA 0.703 56.997 56.287 0.012 0.000 0.782 85 K CB -1.878 30.628 32.500 0.010 0.000 1.230 85 K HN 1.103 nan 8.250 nan 0.000 0.488 86 G N -1.918 106.893 108.800 0.018 0.000 2.296 86 G HA2 -0.151 4.661 3.960 1.419 0.000 0.188 86 G HA3 -0.151 4.661 3.960 1.419 0.000 0.188 86 G C 0.597 175.510 174.900 0.021 0.000 1.000 86 G CA 0.073 45.193 45.100 0.033 0.000 0.672 86 G HN 0.632 nan 8.290 nan 0.000 0.483 87 A N 0.523 123.336 122.820 -0.011 0.000 2.278 87 A HA 0.564 5.735 4.320 1.419 0.000 0.212 87 A C 1.137 178.677 177.584 -0.073 0.000 1.213 87 A CA 1.582 53.602 52.037 -0.028 0.000 0.840 87 A CB -0.515 18.468 19.000 -0.028 0.000 0.866 87 A HN 1.142 nan 8.150 nan 0.000 0.489 88 E N -0.556 119.562 120.200 -0.136 0.000 2.513 88 E HA -0.157 5.045 4.350 1.419 0.000 0.257 88 E C -0.861 175.389 176.600 -0.583 0.000 1.098 88 E CA 0.409 56.582 56.400 -0.379 0.000 0.752 88 E CB -1.135 28.524 29.700 -0.068 0.000 1.324 88 E HN 0.636 nan 8.360 nan 0.000 0.403 89 Q N 0.728 120.311 119.800 -0.363 0.000 2.406 89 Q HA 0.249 5.440 4.340 1.419 0.000 0.242 89 Q C -0.308 175.558 176.000 -0.223 0.000 1.036 89 Q CA 0.269 55.932 55.803 -0.233 0.000 0.904 89 Q CB 0.437 29.118 28.738 -0.094 0.000 1.244 89 Q HN 0.343 nan 8.270 nan 0.000 0.478 90 H N 0.090 119.189 119.070 0.050 0.000 2.495 90 H HA 0.714 6.122 4.556 1.419 0.000 0.350 90 H C -0.288 175.056 175.328 0.026 0.000 1.202 90 H CA -0.549 55.532 56.048 0.056 0.000 1.322 90 H CB 1.295 31.090 29.762 0.054 0.000 1.544 90 H HN 0.671 nan 8.280 nan 0.000 0.565 91 A N 1.461 124.413 122.820 0.220 0.000 2.430 91 A HA 0.640 5.811 4.320 1.419 0.000 0.300 91 A C -1.244 176.368 177.584 0.048 0.000 1.124 91 A CA -0.799 51.271 52.037 0.054 0.000 0.766 91 A CB 1.111 20.127 19.000 0.027 0.000 1.328 91 A HN 0.559 nan 8.150 nan 0.000 0.424 92 L N 0.555 121.640 121.223 -0.229 0.000 2.329 92 L HA 0.633 5.824 4.340 1.419 0.000 0.279 92 L C -1.534 175.125 176.870 -0.352 0.000 1.014 92 L CA -0.249 54.494 54.840 -0.161 0.000 0.814 92 L CB 1.399 43.310 42.059 -0.246 0.000 1.257 92 L HN 0.629 nan 8.230 nan 0.000 0.424 93 F N 1.737 121.652 119.950 -0.059 0.000 2.536 93 F HA 0.385 5.764 4.527 1.420 0.000 0.322 93 F C 0.156 175.935 175.800 -0.035 0.000 1.144 93 F CA -0.840 57.135 58.000 -0.041 0.000 0.924 93 F CB 1.776 40.754 39.000 -0.037 0.000 1.181 93 F HN 0.312 nan 8.300 nan 0.000 0.438 94 K N 2.931 123.392 120.400 0.101 0.000 2.249 94 K HA 0.649 5.820 4.320 1.419 0.000 0.280 94 K C -1.368 175.277 176.600 0.075 0.000 1.033 94 K CA -0.274 56.053 56.287 0.067 0.000 0.946 94 K CB 0.920 33.441 32.500 0.034 0.000 1.005 94 K HN 0.527 nan 8.250 nan 0.000 0.469 95 V N 4.989 124.933 119.914 0.051 0.000 2.444 95 V HA 0.155 5.126 4.120 1.419 0.000 0.294 95 V C -0.146 175.964 176.094 0.026 0.000 1.022 95 V CA -1.112 61.208 62.300 0.032 0.000 0.850 95 V CB 1.374 33.204 31.823 0.011 0.000 0.992 95 V HN 0.861 nan 8.190 nan 0.000 0.426 96 N N 2.843 121.557 118.700 0.024 0.000 2.470 96 N HA 0.026 5.617 4.740 1.419 0.000 0.268 96 N C 1.336 176.858 175.510 0.020 0.000 1.136 96 N CA 0.403 53.468 53.050 0.024 0.000 0.961 96 N CB 1.856 40.357 38.487 0.023 0.000 1.067 96 N HN 0.857 nan 8.380 nan 0.000 0.468 97 T N 0.076 114.644 114.554 0.023 0.000 3.025 97 T HA -0.068 5.134 4.350 1.419 0.000 0.270 97 T C 1.487 176.199 174.700 0.020 0.000 1.126 97 T CA 0.778 62.891 62.100 0.022 0.000 1.105 97 T CB -0.001 68.886 68.868 0.031 0.000 0.884 97 T HN 0.360 nan 8.240 nan 0.000 0.522 98 S N 1.082 116.794 115.700 0.020 0.000 2.527 98 S HA 0.189 5.510 4.470 1.419 0.000 0.222 98 S C 0.930 175.536 174.600 0.012 0.000 0.985 98 S CA -0.067 58.143 58.200 0.017 0.000 0.921 98 S CB 0.034 63.245 63.200 0.018 0.000 0.772 98 S HN 0.507 nan 8.310 nan 0.000 0.529 99 R N 1.562 122.068 120.500 0.010 0.000 2.629 99 R HA 0.268 5.460 4.340 1.419 0.000 0.277 99 R C -3.199 173.101 176.300 0.001 0.000 1.637 99 R CA -1.524 54.579 56.100 0.006 0.000 1.663 99 R CB 1.055 31.360 30.300 0.008 0.000 1.228 99 R HN 0.134 nan 8.270 nan 0.000 0.632 100 P HA 0.094 nan 4.420 nan 0.000 0.271 100 P C 0.756 178.040 177.300 -0.025 0.000 1.216 100 P CA 0.452 63.542 63.100 -0.017 0.000 0.776 100 P CB 1.006 32.696 31.700 -0.017 0.000 0.881 101 G N 1.098 109.873 108.800 -0.040 0.000 2.136 101 G HA2 -0.227 4.585 3.960 1.419 0.000 0.242 101 G HA3 -0.227 4.585 3.960 1.419 0.000 0.242 101 G C -0.272 174.611 174.900 -0.029 0.000 0.989 101 G CA -0.266 44.806 45.100 -0.047 0.000 0.682 101 G HN 0.598 nan 8.290 nan 0.000 0.522 102 E N 0.548 120.740 120.200 -0.013 0.000 2.182 102 E HA 0.428 5.630 4.350 1.419 0.000 0.258 102 E C -0.448 176.164 176.600 0.021 0.000 0.879 102 E CA -0.474 55.928 56.400 0.004 0.000 0.754 102 E CB 1.309 31.013 29.700 0.007 0.000 1.162 102 E HN 0.555 nan 8.360 nan 0.000 0.419 103 E N 2.259 122.484 120.200 0.042 0.000 2.183 103 E HA 0.206 5.407 4.350 1.419 0.000 0.271 103 E C -0.715 175.963 176.600 0.130 0.000 0.919 103 E CA -0.637 55.824 56.400 0.101 0.000 0.781 103 E CB 2.219 31.995 29.700 0.126 0.000 1.140 103 E HN 0.267 nan 8.360 nan 0.000 0.402 104 Q N 3.356 123.228 119.800 0.119 0.000 2.381 104 Q HA 0.200 5.391 4.340 1.419 0.000 0.263 104 Q C -0.792 175.210 176.000 0.005 0.000 1.030 104 Q CA -0.703 55.138 55.803 0.063 0.000 0.772 104 Q CB 1.160 29.913 28.738 0.025 0.000 1.232 104 Q HN 0.436 nan 8.270 nan 0.000 0.476 105 R N 3.835 124.288 120.500 -0.078 0.000 2.538 105 R HA 0.062 5.253 4.340 1.419 0.000 0.282 105 R C -0.524 175.586 176.300 -0.317 0.000 1.009 105 R CA 0.113 55.923 56.100 -0.482 0.000 1.063 105 R CB 0.350 30.335 30.300 -0.525 0.000 0.945 105 R HN 0.605 nan 8.270 nan 0.000 0.414 106 L N 5.735 126.740 121.223 -0.364 0.000 2.404 106 L HA 0.083 5.275 4.340 1.419 0.000 0.277 106 L C 1.029 177.781 176.870 -0.197 0.000 1.184 106 L CA -0.226 54.488 54.840 -0.210 0.000 1.013 106 L CB 0.800 42.756 42.059 -0.173 0.000 1.318 106 L HN 0.738 nan 8.230 nan 0.000 0.435 107 E N 2.074 122.186 120.200 -0.146 0.000 2.265 107 E HA -0.177 5.025 4.350 1.419 0.000 0.196 107 E C 2.044 178.594 176.600 -0.084 0.000 0.996 107 E CA 1.060 57.390 56.400 -0.118 0.000 0.832 107 E CB 0.251 29.902 29.700 -0.081 0.000 0.756 107 E HN 0.781 nan 8.360 nan 0.000 0.491 108 A N 1.067 123.848 122.820 -0.064 0.000 2.024 108 A HA -0.093 5.079 4.320 1.419 0.000 0.220 108 A C 1.456 179.014 177.584 -0.044 0.000 1.164 108 A CA 0.706 52.722 52.037 -0.035 0.000 0.643 108 A CB -0.014 18.982 19.000 -0.006 0.000 0.806 108 A HN 0.053 nan 8.150 nan 0.000 0.451 109 V N 2.026 121.894 119.914 -0.076 0.000 2.334 109 V HA 0.193 5.165 4.120 1.419 0.000 0.267 109 V C 0.320 176.348 176.094 -0.110 0.000 1.040 109 V CA -0.782 61.464 62.300 -0.091 0.000 0.866 109 V CB 0.581 32.316 31.823 -0.147 0.000 1.019 109 V HN 0.617 nan 8.190 nan 0.000 0.468 110 K N 6.006 126.353 120.400 -0.089 0.000 2.355 110 K HA 0.326 5.497 4.320 1.419 0.000 0.270 110 K C -2.583 173.977 176.600 -0.066 0.000 1.003 110 K CA -1.214 55.030 56.287 -0.071 0.000 0.957 110 K CB 0.266 32.735 32.500 -0.052 0.000 0.939 110 K HN 0.308 nan 8.250 nan 0.000 0.482 111 P HA -0.045 nan 4.420 nan 0.000 0.265 111 P C -0.791 176.500 177.300 -0.014 0.000 1.193 111 P CA 0.351 63.435 63.100 -0.027 0.000 0.765 111 P CB 0.456 32.145 31.700 -0.019 0.000 0.823 112 M N 0.094 119.702 119.600 0.013 0.000 2.773 112 M HA 0.466 5.797 4.480 1.419 0.000 0.270 112 M C -0.864 175.501 176.300 0.109 0.000 1.238 112 M CA -1.202 54.126 55.300 0.047 0.000 0.832 112 M CB 2.296 34.934 32.600 0.063 0.000 1.672 112 M HN -0.098 nan 8.290 nan 0.000 0.480 113 R N 2.084 122.664 120.500 0.134 0.000 2.351 113 R HA 0.335 5.526 4.340 1.419 0.000 0.321 113 R C -0.932 175.563 176.300 0.324 0.000 1.182 113 R CA -0.364 55.885 56.100 0.249 0.000 1.011 113 R CB 0.053 30.473 30.300 0.199 0.000 1.048 113 R HN 0.624 nan 8.270 nan 0.000 0.490 114 I N 6.850 127.690 120.570 0.450 0.000 2.533 114 I HA -0.073 4.949 4.170 1.419 0.000 0.284 114 I C 1.257 177.498 176.117 0.205 0.000 1.109 114 I CA 0.319 61.766 61.300 0.245 0.000 1.412 114 I CB 1.147 39.185 38.000 0.063 0.000 1.396 114 I HN 0.758 nan 8.210 nan 0.000 0.543 115 L N 4.895 126.247 121.223 0.216 0.000 2.470 115 L HA 0.106 5.297 4.340 1.419 0.000 0.219 115 L C 0.629 177.684 176.870 0.308 0.000 1.071 115 L CA 0.347 55.321 54.840 0.223 0.000 0.850 115 L CB 0.041 42.108 42.059 0.014 0.000 1.040 115 L HN 0.817 nan 8.230 nan 0.000 0.475 116 S N -1.401 114.462 115.700 0.271 0.000 2.633 116 S HA 0.723 6.045 4.470 1.419 0.000 0.271 116 S C -0.750 174.018 174.600 0.280 0.000 1.112 116 S CA -0.180 58.202 58.200 0.303 0.000 0.828 116 S CB 1.636 65.075 63.200 0.399 0.000 1.086 116 S HN 0.149 nan 8.310 nan 0.000 0.461 117 G N -0.328 108.616 108.800 0.240 0.000 2.519 117 G HA2 0.561 5.373 3.960 1.419 0.000 0.292 117 G HA3 0.561 5.373 3.960 1.419 0.000 0.292 117 G C -2.083 172.919 174.900 0.170 0.000 1.507 117 G CA -0.244 45.003 45.100 0.246 0.000 0.806 117 G HN 1.326 nan 8.290 nan 0.000 0.523 118 V N 0.508 120.525 119.914 0.172 0.000 2.876 118 V HA 0.682 5.653 4.120 1.419 0.000 0.312 118 V C -1.330 174.847 176.094 0.138 0.000 1.085 118 V CA -0.650 61.715 62.300 0.108 0.000 0.945 118 V CB 2.276 34.143 31.823 0.074 0.000 1.017 118 V HN 0.826 nan 8.190 nan 0.000 0.428 119 D N 1.676 122.144 120.400 0.113 0.000 2.462 119 D HA 0.301 5.793 4.640 1.419 0.000 0.245 119 D C 0.970 177.386 176.300 0.193 0.000 1.122 119 D CA 0.046 54.129 54.000 0.139 0.000 0.864 119 D CB 1.908 42.770 40.800 0.102 0.000 1.098 119 D HN 0.668 nan 8.370 nan 0.000 0.541 120 T N 0.542 115.231 114.554 0.225 0.000 3.113 120 T HA 0.290 5.492 4.350 1.419 0.000 0.256 120 T C 1.515 176.310 174.700 0.159 0.000 1.131 120 T CA 0.781 63.040 62.100 0.265 0.000 1.074 120 T CB 0.141 69.127 68.868 0.196 0.000 0.944 120 T HN 0.589 nan 8.240 nan 0.000 0.516 121 G N 1.622 110.501 108.800 0.131 0.000 2.358 121 G HA2 -0.286 4.526 3.960 1.419 0.000 0.224 121 G HA3 -0.286 4.526 3.960 1.419 0.000 0.224 121 G C 0.889 175.836 174.900 0.078 0.000 1.073 121 G CA 0.308 45.466 45.100 0.097 0.000 0.635 121 G HN 0.564 nan 8.290 nan 0.000 0.509 122 E N 0.662 120.907 120.200 0.075 0.000 2.400 122 E HA 0.525 5.727 4.350 1.419 0.000 0.195 122 E C 0.953 177.596 176.600 0.072 0.000 1.012 122 E CA 0.772 57.209 56.400 0.062 0.000 0.875 122 E CB 0.567 30.297 29.700 0.050 0.000 0.859 122 E HN 1.079 nan 8.360 nan 0.000 0.498 123 A N 0.430 123.305 122.820 0.092 0.000 2.601 123 A HA 0.519 5.691 4.320 1.419 0.000 0.291 123 A C -1.459 176.206 177.584 0.135 0.000 1.075 123 A CA -0.612 51.487 52.037 0.104 0.000 0.671 123 A CB 1.735 20.792 19.000 0.095 0.000 1.277 123 A HN -0.033 nan 8.150 nan 0.000 0.417 124 V N 1.189 121.201 119.914 0.163 0.000 2.407 124 V HA 0.545 5.516 4.120 1.419 0.000 0.291 124 V C -0.651 175.620 176.094 0.295 0.000 1.018 124 V CA -0.454 61.978 62.300 0.219 0.000 0.842 124 V CB 1.404 33.356 31.823 0.215 0.000 0.996 124 V HN 0.732 nan 8.190 nan 0.000 0.426 125 V N 6.721 126.799 119.914 0.273 0.000 2.495 125 V HA 0.721 5.693 4.120 1.419 0.000 0.298 125 V C -0.517 175.769 176.094 0.319 0.000 1.031 125 V CA -0.543 61.884 62.300 0.213 0.000 0.871 125 V CB 1.380 33.292 31.823 0.148 0.000 0.988 125 V HN 0.817 nan 8.190 nan 0.000 0.432 126 F N 1.314 121.365 119.950 0.168 0.000 2.668 126 F HA 0.859 6.238 4.527 1.419 0.000 0.309 126 F C -0.338 175.587 175.800 0.208 0.000 1.117 126 F CA -0.825 57.279 58.000 0.175 0.000 0.951 126 F CB 1.757 40.846 39.000 0.148 0.000 1.323 126 F HN 0.460 nan 8.300 nan 0.000 0.451 127 T N -0.826 113.940 114.554 0.353 0.000 2.888 127 T HA 0.907 6.108 4.350 1.419 0.000 0.284 127 T C -0.442 174.457 174.700 0.330 0.000 1.017 127 T CA -0.393 61.839 62.100 0.220 0.000 1.022 127 T CB 1.432 70.362 68.868 0.105 0.000 1.013 127 T HN 1.538 nan 8.240 nan 0.000 0.465 128 G N -0.035 108.940 108.800 0.291 0.000 2.742 128 G HA2 0.714 5.526 3.960 1.419 0.000 0.296 128 G HA3 0.714 5.526 3.960 1.419 0.000 0.296 128 G C -1.480 173.532 174.900 0.187 0.000 1.436 128 G CA -0.653 44.637 45.100 0.316 0.000 0.928 128 G HN 1.089 nan 8.290 nan 0.000 0.520 129 A N 0.695 123.582 122.820 0.112 0.000 2.331 129 A HA 0.951 6.122 4.320 1.419 0.000 0.320 129 A C 0.360 177.978 177.584 0.057 0.000 1.138 129 A CA 0.097 52.145 52.037 0.017 0.000 0.790 129 A CB 1.486 20.422 19.000 -0.106 0.000 1.206 129 A HN 1.714 nan 8.150 nan 0.000 0.470 130 T N -1.688 112.892 114.554 0.042 0.000 2.724 130 T HA 0.463 5.664 4.350 1.419 0.000 0.274 130 T C 0.622 175.330 174.700 0.012 0.000 0.984 130 T CA -0.296 61.827 62.100 0.039 0.000 1.024 130 T CB 0.993 69.895 68.868 0.056 0.000 1.320 130 T HN 0.389 nan 8.240 nan 0.000 0.555 131 E N 0.805 121.009 120.200 0.007 0.000 2.265 131 E HA -0.127 5.075 4.350 1.419 0.000 0.196 131 E C 1.125 177.715 176.600 -0.017 0.000 0.996 131 E CA 1.539 57.934 56.400 -0.008 0.000 0.832 131 E CB -0.044 29.651 29.700 -0.009 0.000 0.756 131 E HN 0.799 nan 8.360 nan 0.000 0.491 132 D N -1.046 119.348 120.400 -0.010 0.000 2.479 132 D HA -0.021 5.470 4.640 1.419 0.000 0.216 132 D C 0.565 176.851 176.300 -0.023 0.000 1.110 132 D CA -0.141 53.850 54.000 -0.016 0.000 0.841 132 D CB 0.423 41.219 40.800 -0.008 0.000 1.040 132 D HN 0.066 nan 8.370 nan 0.000 0.505 133 R N -0.355 120.132 120.500 -0.022 0.000 2.634 133 R HA 0.517 5.709 4.340 1.419 0.000 0.263 133 R C -1.915 174.357 176.300 -0.047 0.000 1.060 133 R CA -0.834 55.243 56.100 -0.040 0.000 0.898 133 R CB 1.151 31.432 30.300 -0.032 0.000 1.253 133 R HN -0.171 nan 8.270 nan 0.000 0.461 134 V N 0.931 120.790 119.914 -0.092 0.000 2.612 134 V HA 0.919 5.891 4.120 1.419 0.000 0.301 134 V C 0.004 176.004 176.094 -0.157 0.000 1.046 134 V CA -0.277 61.957 62.300 -0.110 0.000 0.946 134 V CB 1.279 33.013 31.823 -0.149 0.000 1.003 134 V HN 1.033 nan 8.190 nan 0.000 0.459 135 A N 3.541 126.249 122.820 -0.187 0.000 2.589 135 A HA 0.749 5.920 4.320 1.419 0.000 0.296 135 A C -1.624 175.659 177.584 -0.502 0.000 1.062 135 A CA -0.556 51.223 52.037 -0.430 0.000 0.686 135 A CB 1.551 20.136 19.000 -0.691 0.000 1.282 135 A HN 0.889 nan 8.150 nan 0.000 0.404 136 L N 1.862 122.769 121.223 -0.527 0.000 2.264 136 L HA 0.729 5.920 4.340 1.419 0.000 0.289 136 L C -1.379 175.134 176.870 -0.595 0.000 1.044 136 L CA -0.031 54.576 54.840 -0.388 0.000 0.807 136 L CB -0.098 41.841 42.059 -0.199 0.000 1.192 136 L HN 0.597 nan 8.230 nan 0.000 0.425 137 Y N 3.576 123.596 120.300 -0.467 0.000 2.528 137 Y HA 0.823 6.225 4.550 1.419 0.000 0.335 137 Y C 0.186 175.772 175.900 -0.523 0.000 1.093 137 Y CA -0.631 57.111 58.100 -0.596 0.000 1.134 137 Y CB 2.033 39.871 38.460 -1.036 0.000 1.253 137 Y HN 0.714 nan 8.280 nan 0.000 0.478 138 A N 2.192 124.948 122.820 -0.107 0.000 2.398 138 A HA 0.719 5.890 4.320 1.419 0.000 0.301 138 A C -2.243 175.390 177.584 0.082 0.000 1.041 138 A CA -0.574 51.460 52.037 -0.004 0.000 0.711 138 A CB 1.322 20.332 19.000 0.016 0.000 1.240 138 A HN 0.622 nan 8.150 nan 0.000 0.420 139 L N 3.008 124.325 121.223 0.157 0.000 2.376 139 L HA 0.829 6.021 4.340 1.419 0.000 0.275 139 L C -1.114 175.826 176.870 0.117 0.000 0.987 139 L CA -0.224 54.712 54.840 0.160 0.000 0.828 139 L CB 1.589 43.793 42.059 0.242 0.000 1.249 139 L HN 0.868 nan 8.230 nan 0.000 0.409 140 D N 2.409 122.859 120.400 0.082 0.000 2.781 140 D HA 0.402 5.893 4.640 1.419 0.000 0.295 140 D C 0.906 177.235 176.300 0.048 0.000 1.143 140 D CA -0.108 53.931 54.000 0.064 0.000 1.076 140 D CB 0.493 41.327 40.800 0.057 0.000 1.444 140 D HN 0.476 nan 8.370 nan 0.000 0.567 141 G N -0.967 107.857 108.800 0.040 0.000 2.475 141 G HA2 -0.074 4.738 3.960 1.419 0.000 0.220 141 G HA3 -0.074 4.738 3.960 1.419 0.000 0.220 141 G C 1.126 176.042 174.900 0.027 0.000 1.125 141 G CA 0.817 45.935 45.100 0.030 0.000 0.755 141 G HN 0.674 nan 8.290 nan 0.000 0.565 142 G N -0.270 108.547 108.800 0.029 0.000 3.440 142 G HA2 0.512 5.323 3.960 1.419 0.000 0.263 142 G HA3 0.512 5.323 3.960 1.419 0.000 0.263 142 G C 0.857 175.774 174.900 0.028 0.000 1.236 142 G CA 0.463 45.578 45.100 0.025 0.000 0.927 142 G HN 1.233 nan 8.290 nan 0.000 0.530 143 G N -0.592 108.227 108.800 0.032 0.000 2.660 143 G HA2 0.026 4.838 3.960 1.419 0.000 0.215 143 G HA3 0.026 4.838 3.960 1.419 0.000 0.215 143 G C -0.597 174.333 174.900 0.051 0.000 1.345 143 G CA -0.256 44.864 45.100 0.035 0.000 0.877 143 G HN 0.943 nan 8.290 nan 0.000 0.549 144 L N 0.294 121.549 121.223 0.053 0.000 2.325 144 L HA 0.901 6.093 4.340 1.419 0.000 0.279 144 L C 0.576 177.491 176.870 0.074 0.000 1.054 144 L CA -0.474 54.412 54.840 0.076 0.000 0.804 144 L CB 1.262 43.363 42.059 0.070 0.000 1.200 144 L HN 0.753 nan 8.230 nan 0.000 0.436 145 R N 2.888 123.442 120.500 0.089 0.000 2.621 145 R HA 0.310 5.502 4.340 1.419 0.000 0.284 145 R C -1.248 175.109 176.300 0.095 0.000 0.998 145 R CA -0.727 55.416 56.100 0.072 0.000 0.895 145 R CB 1.873 32.194 30.300 0.034 0.000 1.195 145 R HN 0.660 nan 8.270 nan 0.000 0.450 146 E N 4.094 124.330 120.200 0.061 0.000 2.052 146 E HA 0.073 5.274 4.350 1.419 0.000 0.283 146 E C 0.587 177.098 176.600 -0.148 0.000 1.071 146 E CA -0.114 56.226 56.400 -0.100 0.000 0.851 146 E CB 0.663 30.303 29.700 -0.100 0.000 1.066 146 E HN 0.544 nan 8.360 nan 0.000 0.396 147 L N 3.157 124.263 121.223 -0.194 0.000 2.109 147 L HA 0.098 5.289 4.340 1.419 0.000 0.207 147 L C 0.755 177.527 176.870 -0.164 0.000 1.086 147 L CA 0.846 55.603 54.840 -0.139 0.000 0.760 147 L CB -0.111 41.883 42.059 -0.108 0.000 0.910 147 L HN 0.551 nan 8.230 nan 0.000 0.437 148 A N -0.590 122.080 122.820 -0.250 0.000 2.583 148 A HA 0.448 5.620 4.320 1.419 0.000 0.298 148 A C -0.904 176.485 177.584 -0.324 0.000 1.055 148 A CA -0.648 51.238 52.037 -0.252 0.000 0.714 148 A CB 0.937 19.797 19.000 -0.234 0.000 1.277 148 A HN 0.084 nan 8.150 nan 0.000 0.406 149 R N 1.718 122.051 120.500 -0.278 0.000 2.265 149 R HA 0.618 5.809 4.340 1.419 0.000 0.314 149 R C -1.152 174.958 176.300 -0.318 0.000 1.053 149 R CA -0.289 55.648 56.100 -0.271 0.000 0.931 149 R CB 0.274 30.455 30.300 -0.199 0.000 1.024 149 R HN 0.648 nan 8.270 nan 0.000 0.457 150 L N 6.784 127.813 121.223 -0.324 0.000 2.317 150 L HA 0.460 5.651 4.340 1.419 0.000 0.281 150 L C -1.794 174.884 176.870 -0.320 0.000 1.024 150 L CA -2.232 52.362 54.840 -0.409 0.000 0.810 150 L CB 1.985 43.862 42.059 -0.304 0.000 1.240 150 L HN 0.583 nan 8.230 nan 0.000 0.427 151 P HA 0.242 nan 4.420 nan 0.000 0.225 151 P C 0.080 177.443 177.300 0.105 0.000 1.813 151 P CA 0.186 63.149 63.100 -0.228 0.000 1.013 151 P CB 0.414 31.934 31.700 -0.300 0.000 1.961 152 G N 1.085 109.996 108.800 0.185 0.000 2.355 152 G HA2 -0.050 4.762 3.960 1.419 0.000 0.619 152 G HA3 -0.050 4.762 3.960 1.419 0.000 0.619 152 G C -1.046 174.065 174.900 0.352 0.000 1.337 152 G CA -1.207 44.103 45.100 0.350 0.000 0.993 152 G HN 0.034 nan 8.290 nan 0.000 0.599 153 F N 0.775 120.852 119.950 0.211 0.000 2.537 153 F HA 0.335 5.713 4.527 1.418 0.000 0.402 153 F C 1.557 177.407 175.800 0.083 0.000 1.005 153 F CA 2.152 60.173 58.000 0.035 0.000 1.203 153 F CB 0.634 39.675 39.000 0.069 0.000 0.955 153 F HN 0.781 nan 8.300 nan 0.000 0.547 154 G N 3.524 112.282 108.800 -0.069 0.000 2.571 154 G HA2 0.692 5.503 3.960 1.419 0.000 0.304 154 G HA3 0.692 5.503 3.960 1.419 0.000 0.304 154 G C -1.960 172.741 174.900 -0.331 0.000 1.314 154 G CA -0.646 44.504 45.100 0.083 0.000 0.975 154 G HN 0.360 nan 8.290 nan 0.000 0.485 155 F N 0.914 121.151 119.950 0.478 0.000 2.562 155 F HA 0.379 5.757 4.527 1.418 0.000 0.319 155 F C 0.171 176.102 175.800 0.220 0.000 1.154 155 F CA -0.963 57.226 58.000 0.315 0.000 0.931 155 F CB 2.383 41.531 39.000 0.246 0.000 1.198 155 F HN 0.254 nan 8.300 nan 0.000 0.444 156 V N 3.038 123.157 119.914 0.342 0.000 2.521 156 V HA 0.098 5.070 4.120 1.419 0.000 0.286 156 V C 0.482 176.662 176.094 0.145 0.000 1.034 156 V CA 0.516 62.937 62.300 0.201 0.000 1.045 156 V CB 1.008 32.958 31.823 0.212 0.000 0.974 156 V HN 0.999 nan 8.190 nan 0.000 0.480 157 S N 2.665 118.385 115.700 0.033 0.000 2.452 157 S HA 0.138 5.460 4.470 1.419 0.000 0.225 157 S C 0.279 174.902 174.600 0.039 0.000 1.057 157 S CA 0.215 58.435 58.200 0.033 0.000 0.949 157 S CB 0.183 63.355 63.200 -0.047 0.000 0.836 157 S HN 0.896 nan 8.310 nan 0.000 0.518 158 D N -1.083 119.331 120.400 0.024 0.000 2.622 158 D HA 0.546 6.037 4.640 1.419 0.000 0.255 158 D C -1.890 174.476 176.300 0.111 0.000 1.246 158 D CA -0.489 53.550 54.000 0.066 0.000 0.795 158 D CB 1.344 42.186 40.800 0.070 0.000 1.369 158 D HN 0.035 nan 8.370 nan 0.000 0.425 159 I N 1.264 121.976 120.570 0.236 0.000 2.607 159 I HA 0.459 5.480 4.170 1.419 0.000 0.290 159 I C -0.719 175.527 176.117 0.215 0.000 1.129 159 I CA -0.774 60.669 61.300 0.238 0.000 1.042 159 I CB 2.369 40.535 38.000 0.276 0.000 1.242 159 I HN 0.135 nan 8.210 nan 0.000 0.421 160 R N 3.885 124.430 120.500 0.075 0.000 2.514 160 R HA 0.582 5.773 4.340 1.419 0.000 0.296 160 R C 0.513 176.803 176.300 -0.017 0.000 1.012 160 R CA 0.385 56.480 56.100 -0.009 0.000 0.897 160 R CB 1.887 32.172 30.300 -0.025 0.000 1.184 160 R HN 0.927 nan 8.270 nan 0.000 0.440 161 G N 3.693 112.472 108.800 -0.036 0.000 2.634 161 G HA2 -0.394 4.417 3.960 1.419 0.000 0.318 161 G HA3 -0.394 4.417 3.960 1.419 0.000 0.318 161 G C 0.310 175.214 174.900 0.008 0.000 1.207 161 G CA 0.794 45.883 45.100 -0.018 0.000 0.987 161 G HN 0.672 nan 8.290 nan 0.000 0.547 162 D N 0.137 120.544 120.400 0.012 0.000 2.389 162 D HA 0.249 5.741 4.640 1.419 0.000 0.206 162 D C 1.058 177.380 176.300 0.036 0.000 1.055 162 D CA -0.114 53.901 54.000 0.026 0.000 0.856 162 D CB 0.126 40.938 40.800 0.020 0.000 0.957 162 D HN 0.265 nan 8.370 nan 0.000 0.509 163 L N 1.552 122.791 121.223 0.027 0.000 2.410 163 L HA 0.258 5.449 4.340 1.419 0.000 0.273 163 L C -0.419 176.481 176.870 0.050 0.000 1.152 163 L CA 0.179 55.038 54.840 0.032 0.000 0.855 163 L CB 0.307 42.369 42.059 0.006 0.000 1.129 163 L HN -0.146 nan 8.230 nan 0.000 0.463 164 I N 5.115 125.724 120.570 0.065 0.000 2.433 164 I HA 0.615 5.636 4.170 1.419 0.000 0.292 164 I C -0.276 175.860 176.117 0.030 0.000 1.001 164 I CA -0.581 60.764 61.300 0.076 0.000 1.119 164 I CB 1.752 39.824 38.000 0.121 0.000 1.289 164 I HN 0.755 nan 8.210 nan 0.000 0.438 165 A N 4.488 127.281 122.820 -0.046 0.000 2.343 165 A HA 0.931 6.102 4.320 1.419 0.000 0.316 165 A C -0.250 177.125 177.584 -0.350 0.000 1.104 165 A CA -0.445 51.481 52.037 -0.186 0.000 0.768 165 A CB 1.450 20.359 19.000 -0.151 0.000 1.213 165 A HN 0.840 nan 8.150 nan 0.000 0.456 166 G N 0.260 108.582 108.800 -0.796 0.000 2.725 166 G HA2 0.627 5.438 3.960 1.419 0.000 0.288 166 G HA3 0.627 5.438 3.960 1.419 0.000 0.288 166 G C -1.479 172.921 174.900 -0.832 0.000 1.399 166 G CA -0.651 43.786 45.100 -1.105 0.000 0.859 166 G HN 0.698 nan 8.290 nan 0.000 0.479 167 L N -0.210 120.850 121.223 -0.272 0.000 2.354 167 L HA 0.810 6.001 4.340 1.419 0.000 0.269 167 L C 0.252 177.314 176.870 0.319 0.000 1.005 167 L CA -0.871 53.987 54.840 0.029 0.000 0.819 167 L CB 2.632 44.738 42.059 0.078 0.000 1.311 167 L HN 0.776 nan 8.230 nan 0.000 0.423 168 G N 1.086 109.878 108.800 -0.015 0.000 2.732 168 G HA2 0.542 5.353 3.960 1.419 0.000 0.295 168 G HA3 0.542 5.353 3.960 1.419 0.000 0.295 168 G C -1.386 172.999 174.900 -0.858 0.000 1.456 168 G CA -0.298 44.383 45.100 -0.698 0.000 1.050 168 G HN 0.287 nan 8.290 nan 0.000 0.525 169 F N 2.874 122.604 119.950 -0.366 0.000 2.541 169 F HA 0.343 5.723 4.527 1.421 0.000 0.351 169 F C 0.675 176.548 175.800 0.123 0.000 1.209 169 F CA -0.672 57.331 58.000 0.005 0.000 1.277 169 F CB 0.110 39.321 39.000 0.352 0.000 1.632 169 F HN 0.495 nan 8.300 nan 0.000 0.619 170 F N 0.561 120.692 119.950 0.301 0.000 2.664 170 F HA 0.456 5.835 4.527 1.419 0.000 0.303 170 F C 1.149 177.042 175.800 0.156 0.000 1.092 170 F CA -0.400 57.723 58.000 0.206 0.000 1.305 170 F CB 0.487 39.571 39.000 0.140 0.000 1.054 170 F HN 0.333 nan 8.300 nan 0.000 0.565 171 G N -0.993 107.983 108.800 0.293 0.000 2.308 171 G HA2 0.361 5.172 3.960 1.419 0.000 0.288 171 G HA3 0.361 5.172 3.960 1.419 0.000 0.288 171 G C 0.204 175.183 174.900 0.132 0.000 1.722 171 G CA -0.305 44.909 45.100 0.189 0.000 0.924 171 G HN 0.395 nan 8.290 nan 0.000 0.732 172 G N -0.380 108.477 108.800 0.094 0.000 2.166 172 G HA2 0.261 5.073 3.960 1.419 0.000 0.260 172 G HA3 0.261 5.073 3.960 1.419 0.000 0.260 172 G C 2.110 177.061 174.900 0.085 0.000 0.986 172 G CA 1.412 46.551 45.100 0.065 0.000 0.683 172 G HN 2.918 nan 8.290 nan 0.000 0.527 173 G N -1.290 107.599 108.800 0.148 0.000 2.189 173 G HA2 -0.340 4.471 3.960 1.419 0.000 0.267 173 G HA3 -0.340 4.471 3.960 1.419 0.000 0.267 173 G C 0.542 175.482 174.900 0.068 0.000 0.975 173 G CA 1.210 46.470 45.100 0.266 0.000 0.644 173 G HN 1.034 nan 8.290 nan 0.000 0.537 174 R N -0.257 120.249 120.500 0.009 0.000 2.490 174 R HA 0.450 5.641 4.340 1.419 0.000 0.280 174 R C 0.129 176.293 176.300 -0.227 0.000 1.077 174 R CA -0.299 55.743 56.100 -0.096 0.000 1.065 174 R CB 1.257 31.542 30.300 -0.024 0.000 1.003 174 R HN 0.090 nan 8.270 nan 0.000 0.470 175 V N 2.536 122.241 119.914 -0.350 0.000 2.383 175 V HA 0.167 5.139 4.120 1.419 0.000 0.275 175 V C 0.158 176.207 176.094 -0.076 0.000 1.036 175 V CA -0.360 61.667 62.300 -0.454 0.000 0.889 175 V CB 1.503 32.980 31.823 -0.577 0.000 0.985 175 V HN 0.764 nan 8.190 nan 0.000 0.459 176 S N 4.288 119.951 115.700 -0.062 0.000 2.687 176 S HA 0.684 6.006 4.470 1.419 0.000 0.283 176 S C -0.428 174.250 174.600 0.130 0.000 1.170 176 S CA -0.470 57.843 58.200 0.187 0.000 1.008 176 S CB 1.621 64.980 63.200 0.265 0.000 1.026 176 S HN 0.548 nan 8.310 nan 0.000 0.541 177 L N 2.827 124.073 121.223 0.037 0.000 2.325 177 L HA 0.716 5.908 4.340 1.419 0.000 0.279 177 L C -0.912 176.129 176.870 0.285 0.000 1.054 177 L CA -0.271 54.458 54.840 -0.184 0.000 0.804 177 L CB 0.470 42.019 42.059 -0.850 0.000 1.200 177 L HN 0.639 nan 8.230 nan 0.000 0.436 178 F N 1.199 121.264 119.950 0.193 0.000 2.620 178 F HA 0.936 6.314 4.527 1.419 0.000 0.320 178 F C -0.610 175.329 175.800 0.231 0.000 1.069 178 F CA -0.406 57.783 58.000 0.314 0.000 0.953 178 F CB 1.563 40.758 39.000 0.325 0.000 1.322 178 F HN 0.595 nan 8.300 nan 0.000 0.479 179 T N -0.960 113.942 114.554 0.581 0.000 2.883 179 T HA 0.770 5.971 4.350 1.419 0.000 0.301 179 T C -1.088 173.823 174.700 0.352 0.000 1.158 179 T CA -0.599 61.714 62.100 0.355 0.000 1.007 179 T CB 1.467 70.479 68.868 0.241 0.000 1.186 179 T HN 1.106 nan 8.240 nan 0.000 0.499 180 S N 0.405 116.246 115.700 0.236 0.000 2.656 180 S HA 0.577 5.899 4.470 1.419 0.000 0.273 180 S C -1.928 172.732 174.600 0.100 0.000 1.168 180 S CA -0.844 57.448 58.200 0.153 0.000 0.817 180 S CB 1.706 64.996 63.200 0.150 0.000 1.146 180 S HN 0.956 nan 8.310 nan 0.000 0.475 181 N N 1.890 120.628 118.700 0.063 0.000 2.372 181 N HA 0.283 5.875 4.740 1.419 0.000 0.291 181 N C 0.538 176.070 175.510 0.038 0.000 1.024 181 N CA -0.474 52.604 53.050 0.046 0.000 0.873 181 N CB 1.609 40.115 38.487 0.032 0.000 1.206 181 N HN 0.548 nan 8.380 nan 0.000 0.486 182 L N 4.054 125.302 121.223 0.042 0.000 2.083 182 L HA -0.115 5.077 4.340 1.419 0.000 0.209 182 L C 1.941 178.828 176.870 0.029 0.000 1.083 182 L CA 2.012 56.877 54.840 0.041 0.000 0.752 182 L CB -0.651 41.437 42.059 0.049 0.000 0.899 182 L HN 0.725 nan 8.230 nan 0.000 0.433 183 S N -2.327 113.387 115.700 0.023 0.000 2.412 183 S HA -0.029 5.292 4.470 1.419 0.000 0.223 183 S C 1.845 176.451 174.600 0.010 0.000 1.048 183 S CA 0.532 58.742 58.200 0.017 0.000 0.954 183 S CB -0.679 62.530 63.200 0.016 0.000 0.840 183 S HN 0.546 nan 8.310 nan 0.000 0.503 184 S N 1.147 116.852 115.700 0.009 0.000 2.528 184 S HA 0.489 5.811 4.470 1.419 0.000 0.219 184 S C 1.423 176.019 174.600 -0.006 0.000 0.985 184 S CA 0.485 58.686 58.200 0.002 0.000 0.914 184 S CB -0.744 62.459 63.200 0.003 0.000 0.776 184 S HN 1.282 nan 8.310 nan 0.000 0.526 185 G N 1.076 109.874 108.800 -0.004 0.000 2.509 185 G HA2 0.274 5.085 3.960 1.419 0.000 0.259 185 G HA3 0.274 5.085 3.960 1.419 0.000 0.259 185 G C 0.598 175.489 174.900 -0.015 0.000 1.169 185 G CA -0.138 44.951 45.100 -0.018 0.000 0.953 185 G HN 2.105 nan 8.290 nan 0.000 0.563 186 G N -2.106 106.671 108.800 -0.039 0.000 2.728 186 G HA2 0.436 5.247 3.960 1.419 0.000 0.294 186 G HA3 0.436 5.247 3.960 1.419 0.000 0.294 186 G C -0.762 174.109 174.900 -0.047 0.000 1.342 186 G CA 0.368 45.444 45.100 -0.040 0.000 0.866 186 G HN 2.365 nan 8.290 nan 0.000 0.534 187 L N -0.732 120.462 121.223 -0.049 0.000 2.676 187 L HA 0.782 5.974 4.340 1.419 0.000 0.262 187 L C -0.394 176.449 176.870 -0.045 0.000 0.932 187 L CA -0.438 54.371 54.840 -0.052 0.000 0.932 187 L CB 2.036 43.995 42.059 -0.167 0.000 1.355 187 L HN 0.987 nan 8.230 nan 0.000 0.421 188 R N 3.200 123.715 120.500 0.026 0.000 2.494 188 R HA 0.895 6.087 4.340 1.419 0.000 0.305 188 R C -1.588 174.617 176.300 -0.157 0.000 0.959 188 R CA -0.563 55.465 56.100 -0.120 0.000 0.864 188 R CB 1.873 32.130 30.300 -0.071 0.000 1.159 188 R HN 0.476 nan 8.270 nan 0.000 0.446 189 V N 5.073 124.770 119.914 -0.363 0.000 2.513 189 V HA 0.541 5.512 4.120 1.419 0.000 0.299 189 V C -1.024 174.789 176.094 -0.469 0.000 1.035 189 V CA -0.640 61.567 62.300 -0.155 0.000 0.889 189 V CB 1.600 33.439 31.823 0.028 0.000 0.988 189 V HN 0.577 nan 8.190 nan 0.000 0.440 190 F N 2.183 122.204 119.950 0.118 0.000 2.496 190 F HA 0.530 5.908 4.527 1.419 0.000 0.341 190 F C 0.138 176.057 175.800 0.198 0.000 1.134 190 F CA -0.853 57.201 58.000 0.091 0.000 0.968 190 F CB 1.310 40.292 39.000 -0.030 0.000 1.205 190 F HN 0.400 nan 8.300 nan 0.000 0.436 191 D N 1.040 121.640 120.400 0.333 0.000 2.217 191 D HA 0.319 5.810 4.640 1.419 0.000 0.248 191 D C -0.653 175.834 176.300 0.312 0.000 1.008 191 D CA -0.302 53.888 54.000 0.317 0.000 0.914 191 D CB 2.332 43.243 40.800 0.185 0.000 1.182 191 D HN 0.371 nan 8.370 nan 0.000 0.451 192 S N -0.653 115.170 115.700 0.205 0.000 2.472 192 S HA 0.494 5.816 4.470 1.419 0.000 0.303 192 S C 1.075 175.679 174.600 0.007 0.000 1.099 192 S CA -0.643 57.587 58.200 0.050 0.000 1.077 192 S CB 1.443 64.529 63.200 -0.191 0.000 1.031 192 S HN 0.480 nan 8.310 nan 0.000 0.487 193 G N 2.385 111.193 108.800 0.014 0.000 2.484 193 G HA2 -0.032 4.780 3.960 1.419 0.000 0.218 193 G HA3 -0.032 4.780 3.960 1.419 0.000 0.218 193 G C 1.020 175.906 174.900 -0.023 0.000 1.130 193 G CA 0.309 45.411 45.100 0.004 0.000 0.784 193 G HN 0.769 nan 8.290 nan 0.000 0.543 194 E N -0.527 119.644 120.200 -0.048 0.000 2.216 194 E HA 0.264 5.465 4.350 1.419 0.000 0.192 194 E C 1.408 177.950 176.600 -0.097 0.000 0.988 194 E CA 0.460 56.821 56.400 -0.065 0.000 0.834 194 E CB 0.253 29.910 29.700 -0.071 0.000 0.772 194 E HN 0.410 nan 8.360 nan 0.000 0.479 195 G N -0.534 108.177 108.800 -0.148 0.000 2.435 195 G HA2 0.172 4.983 3.960 1.419 0.000 0.228 195 G HA3 0.172 4.983 3.960 1.419 0.000 0.228 195 G C -1.196 173.553 174.900 -0.253 0.000 1.198 195 G CA -0.590 44.405 45.100 -0.175 0.000 0.948 195 G HN 0.009 nan 8.290 nan 0.000 0.487 196 S N -0.598 114.933 115.700 -0.281 0.000 2.532 196 S HA 0.773 6.095 4.470 1.419 0.000 0.301 196 S C -1.086 173.297 174.600 -0.362 0.000 1.083 196 S CA -0.374 57.656 58.200 -0.283 0.000 1.025 196 S CB 1.203 64.266 63.200 -0.229 0.000 1.056 196 S HN 0.381 nan 8.310 nan 0.000 0.494 197 F N 0.878 120.755 119.950 -0.121 0.000 2.371 197 F HA 0.414 5.793 4.527 1.419 0.000 0.329 197 F C 1.597 177.320 175.800 -0.128 0.000 1.107 197 F CA -0.001 57.936 58.000 -0.105 0.000 1.137 197 F CB 1.452 40.398 39.000 -0.090 0.000 1.214 197 F HN 0.596 nan 8.300 nan 0.000 0.536 198 S N -0.176 115.584 115.700 0.099 0.000 2.891 198 S HA 0.269 5.590 4.470 1.419 0.000 0.247 198 S C 0.037 174.647 174.600 0.017 0.000 1.063 198 S CA 0.169 58.382 58.200 0.022 0.000 0.857 198 S CB 0.219 63.427 63.200 0.014 0.000 0.800 198 S HN 0.496 nan 8.310 nan 0.000 0.540 199 S N 0.118 115.817 115.700 -0.001 0.000 2.546 199 S HA 0.832 6.153 4.470 1.419 0.000 0.274 199 S C -1.290 173.246 174.600 -0.106 0.000 1.121 199 S CA -0.396 57.761 58.200 -0.072 0.000 0.887 199 S CB 1.847 64.952 63.200 -0.159 0.000 1.094 199 S HN 0.579 nan 8.310 nan 0.000 0.474 200 A N 1.476 124.211 122.820 -0.142 0.000 2.365 200 A HA 0.909 6.080 4.320 1.419 0.000 0.318 200 A C -0.559 176.935 177.584 -0.151 0.000 1.091 200 A CA -0.645 51.300 52.037 -0.152 0.000 0.763 200 A CB 1.767 20.660 19.000 -0.178 0.000 1.248 200 A HN 0.594 nan 8.150 nan 0.000 0.442 201 S N 0.846 116.487 115.700 -0.098 0.000 2.536 201 S HA 0.613 5.935 4.470 1.419 0.000 0.271 201 S C -1.085 173.559 174.600 0.074 0.000 1.134 201 S CA -0.463 57.741 58.200 0.006 0.000 0.897 201 S CB 0.712 63.921 63.200 0.016 0.000 1.094 201 S HN 0.571 nan 8.310 nan 0.000 0.473 202 I N 3.945 124.541 120.570 0.044 0.000 2.352 202 I HA 0.250 5.272 4.170 1.419 0.000 0.290 202 I C 0.852 176.810 176.117 -0.266 0.000 1.036 202 I CA -0.236 61.025 61.300 -0.065 0.000 1.336 202 I CB 1.427 39.401 38.000 -0.045 0.000 1.407 202 I HN 0.681 nan 8.210 nan 0.000 0.497 203 S N 6.575 122.011 115.700 -0.440 0.000 2.593 203 S HA 0.279 5.601 4.470 1.419 0.000 0.269 203 S C -1.787 172.516 174.600 -0.495 0.000 1.334 203 S CA -1.049 56.629 58.200 -0.869 0.000 1.015 203 S CB 0.926 63.785 63.200 -0.568 0.000 0.912 203 S HN 0.383 nan 8.310 nan 0.000 0.541 204 P HA 0.023 nan 4.420 nan 0.000 0.218 204 P C 1.149 178.348 177.300 -0.169 0.000 1.146 204 P CA 1.473 64.428 63.100 -0.242 0.000 0.813 204 P CB -0.367 31.220 31.700 -0.188 0.000 0.778 205 G N -1.599 107.096 108.800 -0.175 0.000 3.262 205 G HA2 0.077 4.889 3.960 1.419 0.000 0.228 205 G HA3 0.077 4.889 3.960 1.419 0.000 0.228 205 G C 0.460 175.295 174.900 -0.109 0.000 1.197 205 G CA -0.144 44.887 45.100 -0.116 0.000 0.819 205 G HN -0.020 nan 8.290 nan 0.000 0.531 206 M N -0.395 119.127 119.600 -0.131 0.000 2.653 206 M HA -0.128 5.203 4.480 1.419 0.000 0.203 206 M C -0.380 175.860 176.300 -0.101 0.000 0.502 206 M CA 1.024 56.261 55.300 -0.104 0.000 0.601 206 M CB -2.151 30.408 32.600 -0.069 0.000 2.228 206 M HN 0.254 nan 8.290 nan 0.000 0.711 207 K N 0.149 120.474 120.400 -0.124 0.000 2.203 207 K HA 0.721 5.893 4.320 1.419 0.000 0.251 207 K C 0.089 176.613 176.600 -0.128 0.000 0.944 207 K CA -0.760 55.457 56.287 -0.117 0.000 0.829 207 K CB 2.435 34.878 32.500 -0.095 0.000 1.125 207 K HN 0.010 nan 8.250 nan 0.000 0.430 208 V N 2.485 122.309 119.914 -0.151 0.000 2.408 208 V HA 0.084 5.056 4.120 1.419 0.000 0.267 208 V C 0.196 176.226 176.094 -0.107 0.000 1.047 208 V CA -0.324 61.885 62.300 -0.151 0.000 0.937 208 V CB 0.754 32.426 31.823 -0.252 0.000 0.999 208 V HN 0.674 nan 8.190 nan 0.000 0.472 209 T N 5.347 119.889 114.554 -0.020 0.000 2.749 209 T HA 0.633 5.834 4.350 1.419 0.000 0.295 209 T C 0.199 174.863 174.700 -0.059 0.000 0.936 209 T CA -0.058 62.040 62.100 -0.002 0.000 1.060 209 T CB 1.051 69.979 68.868 0.101 0.000 0.904 209 T HN 0.938 nan 8.240 nan 0.000 0.500 210 A N 2.763 125.561 122.820 -0.038 0.000 2.435 210 A HA 0.854 6.026 4.320 1.419 0.000 0.304 210 A C 0.395 178.010 177.584 0.052 0.000 1.064 210 A CA -0.830 51.212 52.037 0.007 0.000 0.727 210 A CB 1.349 20.386 19.000 0.062 0.000 1.284 210 A HN 0.918 nan 8.150 nan 0.000 0.415 211 G N -0.371 108.450 108.800 0.035 0.000 2.503 211 G HA2 0.531 5.343 3.960 1.419 0.000 0.257 211 G HA3 0.531 5.343 3.960 1.419 0.000 0.257 211 G C -0.911 174.026 174.900 0.062 0.000 1.214 211 G CA -0.070 45.052 45.100 0.037 0.000 0.839 211 G HN 1.194 nan 8.290 nan 0.000 0.559 212 L N 0.473 121.680 121.223 -0.027 0.000 2.482 212 L HA 0.451 5.643 4.340 1.419 0.000 0.269 212 L C -0.515 176.271 176.870 -0.140 0.000 0.967 212 L CA -0.618 54.105 54.840 -0.194 0.000 0.851 212 L CB 1.877 43.783 42.059 -0.256 0.000 1.242 212 L HN 0.602 nan 8.230 nan 0.000 0.404 213 E N 3.629 123.733 120.200 -0.161 0.000 2.055 213 E HA 0.399 5.600 4.350 1.419 0.000 0.274 213 E C -0.109 176.423 176.600 -0.112 0.000 0.949 213 E CA -0.327 56.013 56.400 -0.100 0.000 0.775 213 E CB 0.969 30.622 29.700 -0.078 0.000 1.097 213 E HN 0.749 nan 8.360 nan 0.000 0.404 214 T N -0.720 113.785 114.554 -0.082 0.000 2.891 214 T HA 0.421 5.622 4.350 1.419 0.000 0.294 214 T C 1.542 176.224 174.700 -0.029 0.000 1.065 214 T CA -0.104 61.955 62.100 -0.068 0.000 0.936 214 T CB 1.016 69.848 68.868 -0.061 0.000 1.415 214 T HN 0.308 nan 8.240 nan 0.000 0.572 215 A N 0.707 123.518 122.820 -0.014 0.000 1.896 215 A HA 0.077 5.248 4.320 1.419 0.000 0.220 215 A C 2.453 180.061 177.584 0.040 0.000 1.206 215 A CA 2.993 55.040 52.037 0.017 0.000 0.647 215 A CB -1.474 17.535 19.000 0.015 0.000 0.828 215 A HN 1.432 nan 8.150 nan 0.000 0.455 216 R N -1.230 119.281 120.500 0.019 0.000 2.563 216 R HA 0.484 5.675 4.340 1.419 0.000 0.443 216 R C -0.107 176.188 176.300 -0.008 0.000 0.956 216 R CA 0.766 56.881 56.100 0.025 0.000 1.141 216 R CB -0.425 29.885 30.300 0.017 0.000 1.553 216 R HN 0.575 nan 8.270 nan 0.000 0.577 217 E N -1.629 118.558 120.200 -0.021 0.000 2.449 217 E HA 0.878 6.079 4.350 1.419 0.000 0.278 217 E C -1.053 175.523 176.600 -0.040 0.000 0.992 217 E CA -0.515 55.858 56.400 -0.045 0.000 0.807 217 E CB 1.832 31.501 29.700 -0.052 0.000 1.350 217 E HN 1.064 nan 8.360 nan 0.000 0.462 218 A N 0.680 123.475 122.820 -0.042 0.000 2.515 218 A HA 0.960 6.132 4.320 1.419 0.000 0.296 218 A C -0.419 177.183 177.584 0.029 0.000 1.094 218 A CA -0.838 51.195 52.037 -0.007 0.000 0.718 218 A CB 1.512 20.526 19.000 0.023 0.000 1.307 218 A HN 0.788 nan 8.150 nan 0.000 0.408 219 R N 0.255 120.805 120.500 0.084 0.000 2.741 219 R HA 0.710 5.902 4.340 1.419 0.000 0.274 219 R C -1.982 174.396 176.300 0.129 0.000 1.029 219 R CA -0.928 55.276 56.100 0.174 0.000 0.880 219 R CB 0.704 31.059 30.300 0.091 0.000 1.264 219 R HN 0.482 nan 8.270 nan 0.000 0.465 220 L N 1.510 122.792 121.223 0.099 0.000 2.322 220 L HA 0.747 5.938 4.340 1.419 0.000 0.279 220 L C -0.200 176.665 176.870 -0.008 0.000 1.036 220 L CA -1.091 53.727 54.840 -0.036 0.000 0.807 220 L CB 1.849 43.773 42.059 -0.224 0.000 1.226 220 L HN 0.595 nan 8.230 nan 0.000 0.433 221 V N -1.095 118.822 119.914 0.005 0.000 3.114 221 V HA 0.641 5.613 4.120 1.419 0.000 0.308 221 V C -0.496 175.607 176.094 0.016 0.000 1.168 221 V CA -0.512 61.806 62.300 0.030 0.000 1.015 221 V CB 2.006 33.878 31.823 0.081 0.000 1.050 221 V HN 0.655 nan 8.190 nan 0.000 0.433 222 T N 2.275 116.833 114.554 0.007 0.000 2.770 222 T HA 0.666 5.867 4.350 1.419 0.000 0.283 222 T C -0.443 174.233 174.700 -0.040 0.000 0.988 222 T CA -0.318 61.770 62.100 -0.021 0.000 0.957 222 T CB 1.309 70.166 68.868 -0.018 0.000 0.930 222 T HN 0.755 nan 8.240 nan 0.000 0.443 223 V N 3.509 123.358 119.914 -0.108 0.000 2.398 223 V HA 0.354 5.325 4.120 1.419 0.000 0.286 223 V C 0.000 175.984 176.094 -0.183 0.000 1.026 223 V CA -0.937 61.255 62.300 -0.180 0.000 0.868 223 V CB 1.695 33.285 31.823 -0.389 0.000 0.982 223 V HN 0.776 nan 8.190 nan 0.000 0.443 224 D N 7.230 127.561 120.400 -0.116 0.000 2.347 224 D HA 0.297 5.789 4.640 1.419 0.000 0.235 224 D C -1.486 174.771 176.300 -0.072 0.000 1.149 224 D CA -2.114 51.837 54.000 -0.081 0.000 0.850 224 D CB 2.165 42.949 40.800 -0.026 0.000 1.061 224 D HN 0.257 nan 8.370 nan 0.000 0.487 225 P HA 0.006 nan 4.420 nan 0.000 0.237 225 P C 0.985 178.380 177.300 0.158 0.000 1.178 225 P CA 0.351 63.463 63.100 0.019 0.000 0.766 225 P CB 0.641 32.331 31.700 -0.017 0.000 0.876 226 R N 1.137 121.686 120.500 0.082 0.000 2.062 226 R HA -0.099 5.092 4.340 1.419 0.000 0.231 226 R C 1.728 178.087 176.300 0.098 0.000 1.136 226 R CA 2.126 58.272 56.100 0.077 0.000 0.948 226 R CB -0.544 29.780 30.300 0.040 0.000 0.845 226 R HN 0.299 nan 8.270 nan 0.000 0.430 227 D N -2.714 117.745 120.400 0.098 0.000 2.449 227 D HA 0.151 5.643 4.640 1.419 0.000 0.210 227 D C 0.972 177.358 176.300 0.143 0.000 1.094 227 D CA 0.600 54.657 54.000 0.094 0.000 0.846 227 D CB 0.536 41.372 40.800 0.060 0.000 1.003 227 D HN 0.252 nan 8.370 nan 0.000 0.504 228 G N 0.607 109.542 108.800 0.225 0.000 2.159 228 G HA2 -0.278 4.534 3.960 1.419 0.000 0.256 228 G HA3 -0.278 4.534 3.960 1.419 0.000 0.256 228 G C 0.368 175.384 174.900 0.193 0.000 0.977 228 G CA 0.414 45.719 45.100 0.342 0.000 0.652 228 G HN 0.853 nan 8.290 nan 0.000 0.531 229 S N -0.948 114.815 115.700 0.106 0.000 2.576 229 S HA 0.629 5.951 4.470 1.419 0.000 0.276 229 S C 0.020 174.651 174.600 0.053 0.000 1.339 229 S CA -0.057 58.187 58.200 0.072 0.000 1.039 229 S CB 2.522 65.750 63.200 0.046 0.000 0.902 229 S HN 1.123 nan 8.310 nan 0.000 0.516 230 V N 3.455 123.405 119.914 0.061 0.000 2.483 230 V HA 0.540 5.511 4.120 1.419 0.000 0.297 230 V C -0.254 175.866 176.094 0.044 0.000 1.027 230 V CA -0.640 61.697 62.300 0.062 0.000 0.855 230 V CB 1.086 32.974 31.823 0.108 0.000 0.995 230 V HN 1.089 nan 8.190 nan 0.000 0.424 231 E N 2.246 122.464 120.200 0.030 0.000 2.369 231 E HA 0.613 5.815 4.350 1.419 0.000 0.270 231 E C -1.538 175.074 176.600 0.019 0.000 0.909 231 E CA -1.107 55.306 56.400 0.022 0.000 0.775 231 E CB 1.891 31.599 29.700 0.014 0.000 1.270 231 E HN 0.417 nan 8.360 nan 0.000 0.445 232 D N 0.931 121.341 120.400 0.016 0.000 2.399 232 D HA 0.114 5.606 4.640 1.419 0.000 0.241 232 D C -0.623 175.681 176.300 0.005 0.000 1.133 232 D CA -0.197 53.812 54.000 0.014 0.000 0.890 232 D CB 0.800 41.609 40.800 0.016 0.000 1.201 232 D HN 0.273 nan 8.370 nan 0.000 0.432 233 L N 2.614 123.834 121.223 -0.004 0.000 2.260 233 L HA 0.189 5.380 4.340 1.419 0.000 0.289 233 L C -0.212 176.647 176.870 -0.017 0.000 1.057 233 L CA -0.349 54.480 54.840 -0.019 0.000 0.811 233 L CB 0.683 42.713 42.059 -0.047 0.000 1.184 233 L HN 0.078 nan 8.230 nan 0.000 0.429 234 E N 5.349 125.544 120.200 -0.008 0.000 2.289 234 E HA 0.384 5.585 4.350 1.419 0.000 0.278 234 E C -0.824 175.769 176.600 -0.013 0.000 1.032 234 E CA -0.003 56.395 56.400 -0.003 0.000 0.854 234 E CB 1.130 30.832 29.700 0.004 0.000 1.046 234 E HN 0.572 nan 8.360 nan 0.000 0.409 235 L N 4.781 125.997 121.223 -0.013 0.000 2.334 235 L HA 0.382 5.574 4.340 1.419 0.000 0.273 235 L C -1.328 175.546 176.870 0.007 0.000 1.013 235 L CA -1.835 52.994 54.840 -0.018 0.000 0.816 235 L CB 1.776 43.807 42.059 -0.047 0.000 1.278 235 L HN 0.333 nan 8.230 nan 0.000 0.431 236 P HA -0.010 nan 4.420 nan 0.000 0.245 236 P C 0.159 177.477 177.300 0.030 0.000 1.212 236 P CA 0.421 63.532 63.100 0.019 0.000 0.774 236 P CB 0.590 32.300 31.700 0.016 0.000 0.999 237 S N -0.109 115.616 115.700 0.041 0.000 2.542 237 S HA 0.443 5.764 4.470 1.419 0.000 0.293 237 S C 0.576 175.222 174.600 0.077 0.000 1.089 237 S CA -0.661 57.577 58.200 0.064 0.000 0.961 237 S CB 1.235 64.487 63.200 0.088 0.000 1.062 237 S HN -0.273 nan 8.310 nan 0.000 0.483 238 K N 2.130 122.579 120.400 0.082 0.000 2.372 238 K HA 0.175 5.346 4.320 1.419 0.000 0.200 238 K C 0.151 176.814 176.600 0.105 0.000 1.022 238 K CA 0.100 56.436 56.287 0.082 0.000 1.125 238 K CB -0.043 32.491 32.500 0.057 0.000 0.855 238 K HN 0.564 nan 8.250 nan 0.000 0.524 239 D N 0.583 121.079 120.400 0.160 0.000 2.178 239 D HA -0.159 5.332 4.640 1.419 0.000 0.201 239 D C 1.495 177.918 176.300 0.205 0.000 0.980 239 D CA 0.715 54.861 54.000 0.242 0.000 0.842 239 D CB -0.170 40.852 40.800 0.369 0.000 0.948 239 D HN 0.161 nan 8.370 nan 0.000 0.472 240 F N 2.023 121.857 119.950 -0.193 0.000 2.060 240 F HA -0.212 5.167 4.527 1.419 0.000 0.295 240 F C 2.436 178.071 175.800 -0.274 0.000 1.120 240 F CA 1.990 59.555 58.000 -0.726 0.000 1.205 240 F CB -0.455 38.099 39.000 -0.742 0.000 0.986 240 F HN -0.022 nan 8.300 nan 0.000 0.470 241 S N -0.913 114.697 115.700 -0.150 0.000 2.423 241 S HA -0.139 5.182 4.470 1.419 0.000 0.231 241 S C 2.081 176.601 174.600 -0.133 0.000 1.014 241 S CA 1.119 59.207 58.200 -0.187 0.000 0.965 241 S CB -0.885 62.315 63.200 0.000 0.000 0.785 241 S HN 0.374 nan 8.310 nan 0.000 0.495 242 S N 0.847 116.523 115.700 -0.040 0.000 2.383 242 S HA -0.083 5.238 4.470 1.419 0.000 0.229 242 S C 1.443 176.058 174.600 0.026 0.000 1.030 242 S CA 1.316 59.522 58.200 0.010 0.000 1.002 242 S CB -0.594 62.648 63.200 0.071 0.000 0.829 242 S HN 0.741 nan 8.310 nan 0.000 0.467 243 Y N 2.143 122.372 120.300 -0.118 0.000 2.439 243 Y HA 0.043 5.444 4.550 1.419 0.000 0.292 243 Y C 0.546 176.351 175.900 -0.157 0.000 1.130 243 Y CA 0.679 58.734 58.100 -0.074 0.000 1.254 243 Y CB -0.188 38.298 38.460 0.045 0.000 1.000 243 Y HN 0.057 nan 8.280 nan 0.000 0.554 244 R N 0.176 120.511 120.500 -0.274 0.000 3.146 244 R HA -0.156 5.035 4.340 1.419 0.000 0.250 244 R C -2.692 173.383 176.300 -0.375 0.000 0.912 244 R CA 0.319 56.235 56.100 -0.307 0.000 0.633 244 R CB -2.091 28.077 30.300 -0.219 0.000 1.180 244 R HN 0.323 nan 8.270 nan 0.000 0.464 245 P HA -0.000 nan 4.420 nan 0.000 0.274 245 P C 0.849 178.060 177.300 -0.149 0.000 1.231 245 P CA 0.092 63.061 63.100 -0.218 0.000 0.790 245 P CB 1.070 32.753 31.700 -0.029 0.000 0.951 246 T N -1.302 113.186 114.554 -0.110 0.000 3.037 246 T HA 0.447 5.649 4.350 1.419 0.000 0.252 246 T C 0.655 175.327 174.700 -0.046 0.000 1.073 246 T CA 0.259 62.308 62.100 -0.084 0.000 1.091 246 T CB 0.022 68.823 68.868 -0.112 0.000 0.935 246 T HN 0.622 nan 8.240 nan 0.000 0.488 247 A N 0.333 123.144 122.820 -0.015 0.000 2.587 247 A HA 0.762 5.934 4.320 1.419 0.000 0.293 247 A C -1.502 176.133 177.584 0.085 0.000 1.087 247 A CA -0.967 51.079 52.037 0.015 0.000 0.692 247 A CB 1.245 20.233 19.000 -0.019 0.000 1.291 247 A HN 0.386 nan 8.150 nan 0.000 0.407 248 I N 1.639 122.262 120.570 0.088 0.000 2.382 248 I HA 0.257 5.278 4.170 1.419 0.000 0.286 248 I C 0.844 177.034 176.117 0.122 0.000 1.002 248 I CA -0.410 60.970 61.300 0.132 0.000 1.135 248 I CB 2.291 40.359 38.000 0.114 0.000 1.288 248 I HN 0.826 nan 8.210 nan 0.000 0.448 249 T N 4.379 119.037 114.554 0.174 0.000 2.809 249 T HA -0.048 5.153 4.350 1.419 0.000 0.260 249 T C -0.291 174.582 174.700 0.289 0.000 1.039 249 T CA 0.979 63.194 62.100 0.191 0.000 1.141 249 T CB 0.112 69.100 68.868 0.198 0.000 0.869 249 T HN 0.632 nan 8.240 nan 0.000 0.437 250 W N 1.025 122.358 121.300 0.056 0.000 3.419 250 W HA 0.483 5.995 4.660 1.419 0.000 0.298 250 W C -2.578 173.955 176.519 0.022 0.000 1.260 250 W CA -1.412 55.955 57.345 0.036 0.000 1.199 250 W CB 1.002 30.485 29.460 0.038 0.000 1.349 250 W HN 0.125 nan 8.180 nan 0.000 0.557 251 L N 3.043 123.602 121.223 -1.107 0.000 2.465 251 L HA 1.132 6.324 4.340 1.419 0.000 0.257 251 L C -0.480 175.380 176.870 -1.684 0.000 0.988 251 L CA -0.777 53.365 54.840 -1.164 0.000 0.827 251 L CB 1.812 43.530 42.059 -0.569 0.000 1.397 251 L HN 0.792 nan 8.230 nan 0.000 0.410 252 G N -0.148 107.939 108.800 -1.189 0.000 2.691 252 G HA2 0.483 5.295 3.960 1.419 0.000 0.298 252 G HA3 0.483 5.295 3.960 1.419 0.000 0.298 252 G C -2.146 172.583 174.900 -0.284 0.000 1.471 252 G CA -0.637 44.093 45.100 -0.616 0.000 0.912 252 G HN 0.527 nan 8.290 nan 0.000 0.553 253 Y N 0.698 120.973 120.300 -0.041 0.000 2.319 253 Y HA 0.490 5.892 4.550 1.419 0.000 0.328 253 Y C 1.239 177.190 175.900 0.085 0.000 1.133 253 Y CA -0.180 57.926 58.100 0.011 0.000 1.265 253 Y CB 1.029 39.484 38.460 -0.008 0.000 1.218 253 Y HN 0.313 nan 8.280 nan 0.000 0.508 254 L N 5.238 126.561 121.223 0.167 0.000 2.439 254 L HA 0.275 5.466 4.340 1.419 0.000 0.259 254 L C -1.395 175.451 176.870 -0.040 0.000 1.129 254 L CA -1.943 52.935 54.840 0.064 0.000 0.803 254 L CB 0.580 42.669 42.059 0.050 0.000 1.161 254 L HN 0.446 nan 8.230 nan 0.000 0.462 255 P HA -0.171 nan 4.420 nan 0.000 0.220 255 P C 0.359 177.598 177.300 -0.102 0.000 1.144 255 P CA 1.063 64.018 63.100 -0.241 0.000 0.800 255 P CB -0.024 31.421 31.700 -0.426 0.000 0.772 256 D N -2.602 117.759 120.400 -0.065 0.000 2.328 256 D HA 0.141 5.632 4.640 1.419 0.000 0.221 256 D C 1.439 177.746 176.300 0.011 0.000 1.072 256 D CA 0.391 54.376 54.000 -0.025 0.000 0.850 256 D CB -0.715 40.073 40.800 -0.020 0.000 0.922 256 D HN 0.201 nan 8.370 nan 0.000 0.516 257 G N 0.245 109.072 108.800 0.044 0.000 2.241 257 G HA2 -0.316 4.495 3.960 1.419 0.000 0.244 257 G HA3 -0.316 4.495 3.960 1.419 0.000 0.244 257 G C 0.400 175.404 174.900 0.174 0.000 0.998 257 G CA -0.169 44.991 45.100 0.101 0.000 0.621 257 G HN 0.442 nan 8.290 nan 0.000 0.519 258 R N -0.036 120.521 120.500 0.094 0.000 2.590 258 R HA 0.441 5.632 4.340 1.419 0.000 0.274 258 R C -0.001 176.286 176.300 -0.022 0.000 1.061 258 R CA -0.420 55.709 56.100 0.048 0.000 1.081 258 R CB 0.757 31.073 30.300 0.025 0.000 0.984 258 R HN 0.264 nan 8.270 nan 0.000 0.448 259 L N 3.045 124.172 121.223 -0.161 0.000 2.261 259 L HA 0.337 5.529 4.340 1.419 0.000 0.289 259 L C -0.491 176.234 176.870 -0.243 0.000 1.059 259 L CA 0.077 54.642 54.840 -0.457 0.000 0.816 259 L CB 0.905 42.580 42.059 -0.640 0.000 1.191 259 L HN 0.693 nan 8.230 nan 0.000 0.431 260 A N 5.236 127.959 122.820 -0.161 0.000 2.331 260 A HA 0.701 5.872 4.320 1.419 0.000 0.283 260 A C -0.698 176.852 177.584 -0.055 0.000 1.142 260 A CA -0.391 51.655 52.037 0.015 0.000 0.812 260 A CB 0.608 19.755 19.000 0.245 0.000 1.074 260 A HN 0.582 nan 8.150 nan 0.000 0.497 261 V N 2.693 122.641 119.914 0.058 0.000 2.789 261 V HA 0.485 5.456 4.120 1.419 0.000 0.311 261 V C -0.633 175.641 176.094 0.300 0.000 1.073 261 V CA -0.560 61.785 62.300 0.076 0.000 0.921 261 V CB 2.020 33.776 31.823 -0.111 0.000 1.009 261 V HN 0.641 nan 8.190 nan 0.000 0.426 262 V N 3.299 123.419 119.914 0.343 0.000 2.407 262 V HA 0.872 5.844 4.120 1.419 0.000 0.291 262 V C 0.166 176.468 176.094 0.347 0.000 1.018 262 V CA -0.184 62.328 62.300 0.353 0.000 0.842 262 V CB 1.459 33.488 31.823 0.343 0.000 0.996 262 V HN 1.084 nan 8.190 nan 0.000 0.426 263 A N 6.103 129.167 122.820 0.407 0.000 2.430 263 A HA 1.050 6.221 4.320 1.419 0.000 0.300 263 A C -0.464 177.360 177.584 0.401 0.000 1.124 263 A CA -0.891 51.381 52.037 0.391 0.000 0.766 263 A CB 1.896 21.189 19.000 0.487 0.000 1.328 263 A HN 0.906 nan 8.150 nan 0.000 0.424 264 R N -0.041 120.659 120.500 0.333 0.000 2.808 264 R HA 0.848 6.039 4.340 1.419 0.000 0.272 264 R C -1.166 175.219 176.300 0.141 0.000 0.995 264 R CA -1.021 55.256 56.100 0.295 0.000 0.917 264 R CB 1.704 32.087 30.300 0.139 0.000 1.217 264 R HN 0.832 nan 8.270 nan 0.000 0.471 265 R N 0.330 120.876 120.500 0.077 0.000 2.604 265 R HA 0.333 5.524 4.340 1.419 0.000 0.281 265 R C -1.045 175.241 176.300 -0.023 0.000 1.020 265 R CA -1.050 54.996 56.100 -0.090 0.000 0.899 265 R CB 1.680 31.848 30.300 -0.220 0.000 1.205 265 R HN 0.897 nan 8.270 nan 0.000 0.450 266 E N 0.819 120.965 120.200 -0.091 0.000 2.513 266 E HA -0.241 4.960 4.350 1.419 0.000 0.257 266 E C 0.415 177.142 176.600 0.211 0.000 1.098 266 E CA 0.707 57.188 56.400 0.136 0.000 0.752 266 E CB -1.436 28.396 29.700 0.220 0.000 1.324 266 E HN 1.220 nan 8.360 nan 0.000 0.403 267 G N 0.128 108.975 108.800 0.077 0.000 2.153 267 G HA2 -0.367 4.444 3.960 1.419 0.000 0.252 267 G HA3 -0.367 4.444 3.960 1.419 0.000 0.252 267 G C 0.104 175.054 174.900 0.083 0.000 0.994 267 G CA 0.789 45.950 45.100 0.102 0.000 0.698 267 G HN 0.294 nan 8.290 nan 0.000 0.521 268 R N -0.233 120.336 120.500 0.115 0.000 2.673 268 R HA 0.633 5.825 4.340 1.419 0.000 0.281 268 R C 0.073 176.488 176.300 0.191 0.000 0.991 268 R CA 0.000 56.176 56.100 0.126 0.000 0.896 268 R CB 1.864 32.264 30.300 0.167 0.000 1.201 268 R HN 0.378 nan 8.270 nan 0.000 0.457 269 S N 0.706 116.513 115.700 0.178 0.000 2.718 269 S HA 0.899 6.221 4.470 1.419 0.000 0.300 269 S C -0.629 174.129 174.600 0.264 0.000 1.117 269 S CA -0.857 57.504 58.200 0.267 0.000 1.002 269 S CB 2.184 65.549 63.200 0.276 0.000 1.092 269 S HN 0.664 nan 8.310 nan 0.000 0.542 270 A N 0.539 123.408 122.820 0.082 0.000 2.498 270 A HA 0.768 5.939 4.320 1.419 0.000 0.298 270 A C -1.062 176.329 177.584 -0.322 0.000 1.075 270 A CA -0.815 51.048 52.037 -0.290 0.000 0.714 270 A CB 1.475 19.989 19.000 -0.809 0.000 1.299 270 A HN 0.865 nan 8.150 nan 0.000 0.407 271 V N 1.047 120.608 119.914 -0.588 0.000 2.513 271 V HA 0.701 5.673 4.120 1.419 0.000 0.299 271 V C -1.106 174.596 176.094 -0.654 0.000 1.035 271 V CA -0.224 61.841 62.300 -0.393 0.000 0.889 271 V CB 1.006 32.634 31.823 -0.326 0.000 0.988 271 V HN 0.696 nan 8.190 nan 0.000 0.440 272 F N 4.091 124.030 119.950 -0.019 0.000 2.569 272 F HA 0.643 6.021 4.527 1.419 0.000 0.312 272 F C -0.450 175.330 175.800 -0.034 0.000 1.109 272 F CA -0.772 57.220 58.000 -0.013 0.000 0.919 272 F CB 2.003 41.026 39.000 0.039 0.000 1.211 272 F HN 0.137 nan 8.300 nan 0.000 0.446 273 I N 3.044 123.698 120.570 0.140 0.000 2.411 273 I HA 0.234 5.255 4.170 1.419 0.000 0.284 273 I C -0.456 175.687 176.117 0.043 0.000 1.012 273 I CA -0.753 60.581 61.300 0.057 0.000 1.119 273 I CB 1.108 39.128 38.000 0.033 0.000 1.261 273 I HN 0.627 nan 8.210 nan 0.000 0.448 274 D N 5.541 125.932 120.400 -0.014 0.000 2.751 274 D HA -0.200 5.292 4.640 1.419 0.000 0.233 274 D C 1.317 177.619 176.300 0.003 0.000 1.149 274 D CA 1.639 55.622 54.000 -0.029 0.000 0.682 274 D CB -0.861 39.938 40.800 -0.002 0.000 1.068 274 D HN 1.121 nan 8.370 nan 0.000 0.429 275 G N -0.229 108.585 108.800 0.023 0.000 2.241 275 G HA2 -0.351 4.461 3.960 1.419 0.000 0.244 275 G HA3 -0.351 4.461 3.960 1.419 0.000 0.244 275 G C 0.150 175.220 174.900 0.283 0.000 0.998 275 G CA 0.432 45.578 45.100 0.077 0.000 0.621 275 G HN 0.623 nan 8.290 nan 0.000 0.519 276 E N 0.852 121.201 120.200 0.249 0.000 2.313 276 E HA 0.508 5.710 4.350 1.419 0.000 0.276 276 E C 0.542 177.298 176.600 0.260 0.000 1.031 276 E CA -0.812 55.726 56.400 0.230 0.000 0.857 276 E CB 0.445 30.207 29.700 0.103 0.000 1.040 276 E HN 0.362 nan 8.360 nan 0.000 0.408 277 R N 3.086 123.672 120.500 0.143 0.000 2.438 277 R HA 0.241 5.432 4.340 1.419 0.000 0.287 277 R C -1.063 175.104 176.300 -0.222 0.000 1.077 277 R CA -0.427 55.487 56.100 -0.311 0.000 1.034 277 R CB 0.901 31.002 30.300 -0.331 0.000 0.993 277 R HN 0.343 nan 8.270 nan 0.000 0.459 278 V N 4.129 123.856 119.914 -0.312 0.000 2.483 278 V HA 0.149 5.121 4.120 1.419 0.000 0.295 278 V C -0.286 175.672 176.094 -0.227 0.000 1.035 278 V CA -0.761 61.417 62.300 -0.204 0.000 0.896 278 V CB 1.797 33.516 31.823 -0.173 0.000 0.986 278 V HN 0.819 nan 8.190 nan 0.000 0.447 279 E N 2.865 122.973 120.200 -0.153 0.000 2.415 279 E HA 0.448 5.649 4.350 1.419 0.000 0.263 279 E C -0.095 176.406 176.600 -0.165 0.000 0.995 279 E CA 0.184 56.503 56.400 -0.135 0.000 0.915 279 E CB 0.758 30.407 29.700 -0.086 0.000 0.951 279 E HN 0.826 nan 8.360 nan 0.000 0.449 280 A N 4.344 127.061 122.820 -0.172 0.000 2.520 280 A HA 0.574 5.745 4.320 1.419 0.000 0.298 280 A C -2.603 174.937 177.584 -0.072 0.000 1.051 280 A CA -1.574 50.339 52.037 -0.207 0.000 0.690 280 A CB 1.001 19.725 19.000 -0.460 0.000 1.281 280 A HN 0.393 nan 8.150 nan 0.000 0.402 281 P HA 0.211 nan 4.420 nan 0.000 0.272 281 P C -0.483 176.871 177.300 0.091 0.000 1.223 281 P CA -0.259 62.763 63.100 -0.130 0.000 0.784 281 P CB 0.450 31.838 31.700 -0.521 0.000 0.923 282 Q N 0.787 120.653 119.800 0.109 0.000 2.332 282 Q HA 0.425 5.617 4.340 1.419 0.000 0.263 282 Q C 0.388 176.538 176.000 0.250 0.000 0.979 282 Q CA 0.588 56.497 55.803 0.178 0.000 0.885 282 Q CB 0.013 28.827 28.738 0.128 0.000 1.218 282 Q HN 0.791 nan 8.270 nan 0.000 0.405 283 G N 3.313 112.184 108.800 0.118 0.000 2.217 283 G HA2 -0.114 4.697 3.960 1.419 0.000 0.126 283 G HA3 -0.114 4.697 3.960 1.419 0.000 0.126 283 G C -1.272 173.495 174.900 -0.221 0.000 1.293 283 G CA -0.640 44.445 45.100 -0.024 0.000 1.219 283 G HN 0.648 nan 8.290 nan 0.000 0.477 284 N N 0.431 118.895 118.700 -0.394 0.000 2.265 284 N HA 0.673 6.265 4.740 1.419 0.000 0.300 284 N C -1.439 173.706 175.510 -0.608 0.000 1.148 284 N CA -0.362 52.431 53.050 -0.429 0.000 0.772 284 N CB 1.779 40.150 38.487 -0.194 0.000 1.434 284 N HN 0.615 nan 8.380 nan 0.000 0.481 285 H N -1.165 117.932 119.070 0.045 0.000 2.797 285 H HA 0.574 5.981 4.556 1.420 0.000 0.372 285 H C 0.653 175.976 175.328 -0.009 0.000 1.168 285 H CA -0.833 55.233 56.048 0.029 0.000 1.163 285 H CB 1.607 31.394 29.762 0.042 0.000 1.778 285 H HN 0.606 nan 8.280 nan 0.000 0.551 286 G N 0.045 108.873 108.800 0.047 0.000 3.075 286 G HA2 0.223 5.034 3.960 1.419 0.000 0.156 286 G HA3 0.223 5.034 3.960 1.419 0.000 0.156 286 G C -0.254 174.472 174.900 -0.289 0.000 1.403 286 G CA -0.891 44.149 45.100 -0.100 0.000 1.033 286 G HN 0.728 nan 8.290 nan 0.000 0.589 287 R N -1.353 118.781 120.500 -0.610 0.000 2.649 287 R HA 0.531 5.723 4.340 1.419 0.000 0.270 287 R C -1.260 174.614 176.300 -0.711 0.000 1.105 287 R CA -0.384 54.946 56.100 -1.284 0.000 1.193 287 R CB 0.992 30.371 30.300 -1.535 0.000 1.120 287 R HN 0.178 nan 8.270 nan 0.000 0.561 288 V N 2.223 121.691 119.914 -0.744 0.000 2.604 288 V HA 0.459 5.431 4.120 1.419 0.000 0.305 288 V C -0.142 175.961 176.094 0.016 0.000 1.043 288 V CA -0.673 61.535 62.300 -0.154 0.000 0.888 288 V CB 1.514 33.391 31.823 0.090 0.000 0.995 288 V HN 0.747 nan 8.190 nan 0.000 0.429 289 V N 3.026 122.989 119.914 0.080 0.000 3.074 289 V HA 0.816 5.787 4.120 1.419 0.000 0.314 289 V C -1.212 175.052 176.094 0.284 0.000 1.117 289 V CA -1.096 61.349 62.300 0.241 0.000 1.014 289 V CB 2.150 34.056 31.823 0.139 0.000 1.057 289 V HN 0.694 nan 8.190 nan 0.000 0.438 290 L N 3.094 124.558 121.223 0.402 0.000 2.305 290 L HA 0.816 6.008 4.340 1.419 0.000 0.284 290 L C -1.255 175.862 176.870 0.412 0.000 1.013 290 L CA -0.249 54.767 54.840 0.294 0.000 0.819 290 L CB 1.246 43.389 42.059 0.139 0.000 1.227 290 L HN 1.005 nan 8.230 nan 0.000 0.417 291 W N 6.667 128.042 121.300 0.124 0.000 3.042 291 W HA 0.503 6.016 4.660 1.421 0.000 0.337 291 W C 0.052 176.618 176.519 0.078 0.000 1.086 291 W CA -0.733 56.682 57.345 0.117 0.000 1.236 291 W CB 1.034 30.558 29.460 0.107 0.000 1.381 291 W HN 0.659 nan 8.180 nan 0.000 0.472 292 R N 4.500 124.657 120.500 -0.571 0.000 3.502 292 R HA -0.224 4.967 4.340 1.419 0.000 0.266 292 R C 1.143 177.271 176.300 -0.287 0.000 1.077 292 R CA 1.551 57.307 56.100 -0.573 0.000 0.718 292 R CB -1.750 27.939 30.300 -1.018 0.000 1.120 292 R HN 1.586 nan 8.270 nan 0.000 0.457 293 G N -0.347 108.376 108.800 -0.129 0.000 2.205 293 G HA2 -0.396 4.416 3.960 1.419 0.000 0.261 293 G HA3 -0.396 4.416 3.960 1.419 0.000 0.261 293 G C 0.083 174.974 174.900 -0.015 0.000 0.980 293 G CA 0.942 46.006 45.100 -0.059 0.000 0.632 293 G HN 0.559 nan 8.290 nan 0.000 0.533 294 K N 0.252 120.658 120.400 0.011 0.000 2.221 294 K HA 0.820 5.991 4.320 1.419 0.000 0.243 294 K C 0.090 176.776 176.600 0.143 0.000 0.968 294 K CA -1.220 55.108 56.287 0.068 0.000 0.846 294 K CB 1.946 34.485 32.500 0.066 0.000 1.141 294 K HN 0.129 nan 8.250 nan 0.000 0.434 295 L N 1.675 122.959 121.223 0.102 0.000 2.397 295 L HA 0.348 5.540 4.340 1.419 0.000 0.271 295 L C -0.528 176.401 176.870 0.099 0.000 1.148 295 L CA -0.853 54.045 54.840 0.098 0.000 0.825 295 L CB 1.202 43.288 42.059 0.045 0.000 1.117 295 L HN 0.384 nan 8.230 nan 0.000 0.456 296 V N 1.796 121.761 119.914 0.085 0.000 2.808 296 V HA 0.555 5.526 4.120 1.419 0.000 0.308 296 V C -0.254 175.817 176.094 -0.039 0.000 1.099 296 V CA -0.437 61.874 62.300 0.019 0.000 0.920 296 V CB 2.258 34.083 31.823 0.004 0.000 1.014 296 V HN 0.854 nan 8.190 nan 0.000 0.425 297 T N 1.834 116.349 114.554 -0.064 0.000 2.864 297 T HA 0.593 5.794 4.350 1.419 0.000 0.299 297 T C -0.268 174.402 174.700 -0.051 0.000 1.166 297 T CA 0.048 62.103 62.100 -0.074 0.000 1.007 297 T CB 1.953 70.793 68.868 -0.045 0.000 1.219 297 T HN 1.057 nan 8.240 nan 0.000 0.506 298 S N 1.990 117.663 115.700 -0.045 0.000 2.601 298 S HA 0.483 5.804 4.470 1.419 0.000 0.271 298 S C -0.515 174.154 174.600 0.114 0.000 1.305 298 S CA -0.439 57.757 58.200 -0.007 0.000 1.022 298 S CB 0.619 63.791 63.200 -0.046 0.000 0.940 298 S HN 0.875 nan 8.310 nan 0.000 0.525 299 H N 0.136 119.206 119.070 0.000 0.000 2.894 299 H HA 0.576 5.984 4.556 1.420 0.000 0.367 299 H C -1.417 173.886 175.328 -0.042 0.000 1.144 299 H CA -0.354 55.700 56.048 0.009 0.000 1.180 299 H CB 2.153 31.954 29.762 0.065 0.000 1.758 299 H HN 0.816 nan 8.280 nan 0.000 0.541 300 T N 1.914 115.905 114.554 -0.938 0.000 2.821 300 T HA 0.523 5.724 4.350 1.419 0.000 0.306 300 T C -1.367 172.936 174.700 -0.661 0.000 1.313 300 T CA -0.004 61.690 62.100 -0.677 0.000 1.012 300 T CB 1.367 70.083 68.868 -0.253 0.000 1.298 300 T HN 0.871 nan 8.240 nan 0.000 0.502 301 S N 1.486 117.025 115.700 -0.270 0.000 2.727 301 S HA 0.494 5.816 4.470 1.419 0.000 0.278 301 S C 0.576 175.210 174.600 0.057 0.000 1.186 301 S CA -0.810 57.337 58.200 -0.089 0.000 0.836 301 S CB 0.454 63.655 63.200 0.002 0.000 1.186 301 S HN 0.590 nan 8.310 nan 0.000 0.499 302 L N 1.600 122.852 121.223 0.049 0.000 2.201 302 L HA 0.028 5.220 4.340 1.419 0.000 0.212 302 L C 2.620 179.604 176.870 0.191 0.000 1.105 302 L CA 1.615 56.483 54.840 0.048 0.000 0.775 302 L CB -0.306 41.763 42.059 0.017 0.000 0.913 302 L HN 0.911 nan 8.230 nan 0.000 0.440 303 S N -3.163 112.677 115.700 0.234 0.000 2.502 303 S HA 0.004 5.326 4.470 1.419 0.000 0.215 303 S C 0.992 175.755 174.600 0.272 0.000 1.009 303 S CA 0.091 58.468 58.200 0.296 0.000 0.908 303 S CB -0.002 63.304 63.200 0.177 0.000 0.801 303 S HN 0.308 nan 8.310 nan 0.000 0.505 304 T N 2.704 117.368 114.554 0.184 0.000 2.772 304 T HA 0.586 5.787 4.350 1.419 0.000 0.288 304 T C -3.300 171.305 174.700 -0.158 0.000 0.994 304 T CA -2.436 59.657 62.100 -0.012 0.000 0.951 304 T CB 1.136 70.030 68.868 0.043 0.000 0.933 304 T HN -0.080 nan 8.240 nan 0.000 0.447 305 P HA 0.178 nan 4.420 nan 0.000 0.265 305 P C -2.523 174.572 177.300 -0.342 0.000 1.187 305 P CA -0.893 61.711 63.100 -0.827 0.000 0.766 305 P CB -0.416 30.679 31.700 -1.008 0.000 0.820 306 P HA -0.036 nan 4.420 nan 0.000 0.261 306 P C -0.031 177.258 177.300 -0.018 0.000 1.173 306 P CA 0.843 63.880 63.100 -0.105 0.000 0.760 306 P CB 0.261 31.923 31.700 -0.064 0.000 0.783 307 R N 2.604 123.113 120.500 0.014 0.000 2.846 307 R HA 0.721 5.912 4.340 1.419 0.000 0.263 307 R C -1.330 174.953 176.300 -0.028 0.000 1.080 307 R CA -0.961 55.165 56.100 0.044 0.000 0.961 307 R CB 1.106 31.416 30.300 0.016 0.000 1.231 307 R HN 0.086 nan 8.270 nan 0.000 0.465 308 I N 2.365 122.840 120.570 -0.158 0.000 2.418 308 I HA 0.400 5.422 4.170 1.419 0.000 0.287 308 I C -0.118 175.873 176.117 -0.209 0.000 1.008 308 I CA -0.740 60.433 61.300 -0.212 0.000 1.104 308 I CB 1.432 39.208 38.000 -0.373 0.000 1.264 308 I HN 0.635 nan 8.210 nan 0.000 0.438 309 V N 2.788 122.625 119.914 -0.128 0.000 3.040 309 V HA 0.728 5.700 4.120 1.419 0.000 0.312 309 V C -0.315 175.732 176.094 -0.079 0.000 1.115 309 V CA -0.620 61.618 62.300 -0.104 0.000 0.998 309 V CB 2.063 33.843 31.823 -0.070 0.000 1.042 309 V HN 0.701 nan 8.190 nan 0.000 0.433 310 S N 2.108 117.778 115.700 -0.050 0.000 2.541 310 S HA 0.795 6.117 4.470 1.419 0.000 0.283 310 S C -0.593 173.992 174.600 -0.026 0.000 1.196 310 S CA -0.639 57.560 58.200 -0.000 0.000 1.062 310 S CB 0.392 63.621 63.200 0.050 0.000 1.009 310 S HN 0.723 nan 8.310 nan 0.000 0.502 311 L N 5.272 126.483 121.223 -0.022 0.000 2.334 311 L HA 0.531 5.722 4.340 1.419 0.000 0.273 311 L C -1.566 175.286 176.870 -0.030 0.000 1.013 311 L CA -1.919 52.889 54.840 -0.052 0.000 0.816 311 L CB 1.887 43.895 42.059 -0.085 0.000 1.278 311 L HN 0.544 nan 8.230 nan 0.000 0.431 312 P HA 0.015 nan 4.420 nan 0.000 0.261 312 P C 1.107 178.372 177.300 -0.058 0.000 1.268 312 P CA 0.167 63.228 63.100 -0.065 0.000 0.833 312 P CB 0.496 32.159 31.700 -0.061 0.000 1.231 313 S N -0.041 115.634 115.700 -0.041 0.000 2.419 313 S HA 0.024 5.345 4.470 1.419 0.000 0.233 313 S C 1.900 176.468 174.600 -0.054 0.000 1.016 313 S CA 1.264 59.441 58.200 -0.038 0.000 0.974 313 S CB -1.673 61.514 63.200 -0.022 0.000 0.786 313 S HN 0.299 nan 8.310 nan 0.000 0.492 314 G N 0.818 109.577 108.800 -0.069 0.000 2.168 314 G HA2 -0.275 4.537 3.960 1.419 0.000 0.263 314 G HA3 -0.275 4.537 3.960 1.419 0.000 0.263 314 G C -0.206 174.641 174.900 -0.089 0.000 0.977 314 G CA 0.408 45.449 45.100 -0.099 0.000 0.659 314 G HN 0.670 nan 8.290 nan 0.000 0.533 315 E N 1.723 121.887 120.200 -0.060 0.000 2.373 315 E HA 0.340 5.541 4.350 1.419 0.000 0.267 315 E C -2.122 174.437 176.600 -0.067 0.000 1.032 315 E CA -1.428 54.941 56.400 -0.052 0.000 0.889 315 E CB 1.084 30.767 29.700 -0.029 0.000 0.984 315 E HN 0.258 nan 8.360 nan 0.000 0.425 316 P HA 0.076 nan 4.420 nan 0.000 0.284 316 P C -0.107 177.097 177.300 -0.159 0.000 1.253 316 P CA -0.025 63.003 63.100 -0.120 0.000 0.800 316 P CB 1.201 32.838 31.700 -0.104 0.000 0.961 317 L N 1.809 122.867 121.223 -0.275 0.000 2.262 317 L HA 0.217 5.408 4.340 1.419 0.000 0.197 317 L C 0.946 177.498 176.870 -0.530 0.000 1.073 317 L CA 0.739 55.324 54.840 -0.425 0.000 0.800 317 L CB -0.154 41.487 42.059 -0.697 0.000 0.987 317 L HN 0.254 nan 8.230 nan 0.000 0.470 318 L N 0.145 120.990 121.223 -0.628 0.000 2.362 318 L HA 0.465 5.657 4.340 1.419 0.000 0.271 318 L C -0.739 175.815 176.870 -0.526 0.000 1.002 318 L CA -0.350 54.057 54.840 -0.723 0.000 0.818 318 L CB 1.985 43.290 42.059 -1.256 0.000 1.298 318 L HN 0.104 nan 8.230 nan 0.000 0.420 319 E N 1.898 121.925 120.200 -0.289 0.000 2.422 319 E HA 0.409 5.611 4.350 1.419 0.000 0.289 319 E C -1.175 175.471 176.600 0.076 0.000 0.985 319 E CA -0.864 55.513 56.400 -0.039 0.000 0.812 319 E CB 1.589 31.248 29.700 -0.068 0.000 1.226 319 E HN 0.595 nan 8.360 nan 0.000 0.419 320 G N 1.408 110.274 108.800 0.111 0.000 2.403 320 G HA2 0.504 5.316 3.960 1.419 0.000 0.259 320 G HA3 0.504 5.316 3.960 1.419 0.000 0.259 320 G C 0.106 174.956 174.900 -0.085 0.000 1.244 320 G CA -0.159 44.934 45.100 -0.012 0.000 0.849 320 G HN 0.526 nan 8.290 nan 0.000 0.532 321 G N 1.072 109.830 108.800 -0.070 0.000 2.335 321 G HA2 0.502 5.314 3.960 1.419 0.000 0.316 321 G HA3 0.502 5.314 3.960 1.419 0.000 0.316 321 G C -0.214 174.639 174.900 -0.080 0.000 1.129 321 G CA -0.672 44.387 45.100 -0.069 0.000 0.899 321 G HN 0.592 nan 8.290 nan 0.000 0.448 322 L N 3.883 125.054 121.223 -0.085 0.000 2.326 322 L HA 0.320 5.512 4.340 1.419 0.000 0.278 322 L C -1.555 175.304 176.870 -0.018 0.000 1.092 322 L CA -1.653 53.152 54.840 -0.059 0.000 0.810 322 L CB 1.845 43.872 42.059 -0.055 0.000 1.153 322 L HN 0.357 nan 8.230 nan 0.000 0.439 323 P HA 0.026 nan 4.420 nan 0.000 0.275 323 P C 0.468 177.779 177.300 0.019 0.000 1.228 323 P CA -0.195 62.910 63.100 0.008 0.000 0.786 323 P CB 1.197 32.903 31.700 0.011 0.000 0.927 324 E N 1.450 121.660 120.200 0.018 0.000 2.097 324 E HA -0.227 4.975 4.350 1.419 0.000 0.196 324 E C 1.499 178.117 176.600 0.030 0.000 1.000 324 E CA 2.076 58.490 56.400 0.023 0.000 0.804 324 E CB -0.770 28.942 29.700 0.019 0.000 0.740 324 E HN 0.731 nan 8.360 nan 0.000 0.454 325 D N -0.057 120.360 120.400 0.027 0.000 2.144 325 D HA -0.178 5.314 4.640 1.419 0.000 0.199 325 D C 2.210 178.534 176.300 0.040 0.000 0.984 325 D CA 1.257 55.275 54.000 0.029 0.000 0.834 325 D CB -0.514 40.301 40.800 0.024 0.000 0.955 325 D HN 0.422 nan 8.370 nan 0.000 0.465 326 L N -0.248 121.004 121.223 0.047 0.000 2.072 326 L HA -0.041 5.150 4.340 1.419 0.000 0.205 326 L C 2.999 179.920 176.870 0.085 0.000 1.079 326 L CA 0.553 55.434 54.840 0.068 0.000 0.752 326 L CB -0.342 41.764 42.059 0.077 0.000 0.906 326 L HN -0.070 nan 8.230 nan 0.000 0.436 327 R N 0.404 120.948 120.500 0.073 0.000 2.112 327 R HA -0.203 4.988 4.340 1.419 0.000 0.242 327 R C 2.325 178.671 176.300 0.077 0.000 1.137 327 R CA 1.825 57.973 56.100 0.079 0.000 0.944 327 R CB -0.220 30.113 30.300 0.055 0.000 0.857 327 R HN 0.201 nan 8.270 nan 0.000 0.435 328 R N -0.324 120.212 120.500 0.060 0.000 2.235 328 R HA -0.021 5.170 4.340 1.419 0.000 0.213 328 R C 1.987 178.321 176.300 0.057 0.000 1.059 328 R CA 1.119 57.251 56.100 0.054 0.000 0.997 328 R CB -0.022 30.303 30.300 0.041 0.000 0.884 328 R HN 0.322 nan 8.270 nan 0.000 0.462 329 S N 0.222 115.958 115.700 0.061 0.000 2.547 329 S HA -0.032 5.289 4.470 1.419 0.000 0.235 329 S C 0.776 175.418 174.600 0.070 0.000 0.980 329 S CA 0.526 58.760 58.200 0.056 0.000 0.941 329 S CB -0.137 63.096 63.200 0.055 0.000 0.763 329 S HN 0.140 nan 8.310 nan 0.000 0.532 330 I N 1.642 122.262 120.570 0.082 0.000 2.388 330 I HA 0.416 5.437 4.170 1.419 0.000 0.281 330 I C 1.189 177.360 176.117 0.091 0.000 1.046 330 I CA -0.446 60.910 61.300 0.093 0.000 1.187 330 I CB 1.212 39.271 38.000 0.099 0.000 1.351 330 I HN 0.157 nan 8.210 nan 0.000 0.472 331 A N 4.662 127.540 122.820 0.097 0.000 1.902 331 A HA 0.367 5.539 4.320 1.419 0.000 0.217 331 A C 1.201 178.835 177.584 0.083 0.000 1.181 331 A CA 1.483 53.572 52.037 0.087 0.000 0.623 331 A CB -0.259 18.799 19.000 0.096 0.000 0.818 331 A HN 0.736 nan 8.150 nan 0.000 0.443 332 G N -2.672 106.184 108.800 0.093 0.000 2.488 332 G HA2 0.528 5.339 3.960 1.419 0.000 0.301 332 G HA3 0.528 5.339 3.960 1.419 0.000 0.301 332 G C -0.902 174.057 174.900 0.099 0.000 1.339 332 G CA 0.300 45.453 45.100 0.088 0.000 0.803 332 G HN 1.157 nan 8.290 nan 0.000 0.482 333 S N -1.264 114.494 115.700 0.097 0.000 2.579 333 S HA 0.885 6.207 4.470 1.419 0.000 0.272 333 S C -0.887 173.759 174.600 0.077 0.000 1.141 333 S CA -0.819 57.448 58.200 0.112 0.000 0.843 333 S CB 2.765 66.056 63.200 0.153 0.000 1.122 333 S HN 1.165 nan 8.310 nan 0.000 0.468 334 R N 0.422 120.941 120.500 0.032 0.000 2.579 334 R HA 0.558 5.750 4.340 1.419 0.000 0.260 334 R C -2.441 173.685 176.300 -0.290 0.000 1.103 334 R CA -0.780 55.278 56.100 -0.070 0.000 0.942 334 R CB 1.338 31.633 30.300 -0.008 0.000 1.251 334 R HN 0.733 nan 8.270 nan 0.000 0.450 335 L N 5.938 126.905 121.223 -0.427 0.000 2.280 335 L HA 0.599 5.790 4.340 1.419 0.000 0.287 335 L C -1.056 175.508 176.870 -0.509 0.000 1.023 335 L CA -0.439 53.970 54.840 -0.718 0.000 0.819 335 L CB 1.533 43.069 42.059 -0.872 0.000 1.212 335 L HN 0.468 nan 8.230 nan 0.000 0.420 336 V N 1.917 121.473 119.914 -0.596 0.000 2.919 336 V HA 0.705 5.676 4.120 1.419 0.000 0.316 336 V C -1.381 174.304 176.094 -0.682 0.000 1.077 336 V CA -0.742 61.262 62.300 -0.494 0.000 0.977 336 V CB 1.810 33.306 31.823 -0.545 0.000 1.039 336 V HN 0.796 nan 8.190 nan 0.000 0.441 337 W N 2.073 123.160 121.300 -0.354 0.000 2.296 337 W HA 0.702 6.215 4.660 1.421 0.000 0.316 337 W C -0.495 175.838 176.519 -0.310 0.000 1.022 337 W CA -0.650 56.510 57.345 -0.309 0.000 1.324 337 W CB 1.711 31.036 29.460 -0.225 0.000 1.227 337 W HN 0.524 nan 8.180 nan 0.000 0.409 338 V N 3.005 122.814 119.914 -0.175 0.000 2.498 338 V HA 0.101 5.073 4.120 1.419 0.000 0.279 338 V C 0.449 176.555 176.094 0.020 0.000 1.048 338 V CA -0.902 61.321 62.300 -0.128 0.000 0.967 338 V CB 1.218 32.947 31.823 -0.156 0.000 0.988 338 V HN 0.440 nan 8.190 nan 0.000 0.473 339 E N 2.998 123.235 120.200 0.062 0.000 2.257 339 E HA 0.257 5.459 4.350 1.419 0.000 0.278 339 E C 0.019 176.687 176.600 0.114 0.000 1.049 339 E CA -0.047 56.397 56.400 0.073 0.000 0.876 339 E CB 0.912 30.650 29.700 0.062 0.000 1.035 339 E HN 0.740 nan 8.360 nan 0.000 0.419 340 S N 2.990 118.773 115.700 0.140 0.000 2.694 340 S HA 0.161 5.482 4.470 1.419 0.000 0.278 340 S C 1.053 175.786 174.600 0.222 0.000 1.152 340 S CA -0.520 57.824 58.200 0.240 0.000 1.010 340 S CB 0.283 63.703 63.200 0.366 0.000 1.104 340 S HN 0.577 nan 8.310 nan 0.000 0.547 341 F N 1.108 121.118 119.950 0.099 0.000 2.192 341 F HA -0.057 5.322 4.527 1.420 0.000 0.301 341 F C 1.575 177.417 175.800 0.071 0.000 1.079 341 F CA 1.630 59.674 58.000 0.074 0.000 1.303 341 F CB -0.366 38.673 39.000 0.064 0.000 1.024 341 F HN 0.554 nan 8.300 nan 0.000 0.494 342 D N -0.805 119.015 120.400 -0.967 0.000 2.363 342 D HA 0.214 5.705 4.640 1.419 0.000 0.214 342 D C 1.777 177.886 176.300 -0.319 0.000 1.093 342 D CA 0.518 54.008 54.000 -0.849 0.000 0.837 342 D CB 0.208 40.300 40.800 -1.180 0.000 0.948 342 D HN 0.515 nan 8.370 nan 0.000 0.507 343 G N -0.074 108.626 108.800 -0.167 0.000 2.195 343 G HA2 -0.263 4.548 3.960 1.419 0.000 0.246 343 G HA3 -0.263 4.548 3.960 1.419 0.000 0.246 343 G C 0.355 175.230 174.900 -0.042 0.000 0.984 343 G CA 0.160 45.215 45.100 -0.074 0.000 0.633 343 G HN 0.397 nan 8.290 nan 0.000 0.525 344 S N 1.546 117.238 115.700 -0.013 0.000 2.562 344 S HA 0.500 5.821 4.470 1.419 0.000 0.281 344 S C 0.603 175.188 174.600 -0.026 0.000 1.333 344 S CA -0.296 57.912 58.200 0.014 0.000 1.052 344 S CB 0.765 64.095 63.200 0.215 0.000 0.884 344 S HN 0.380 nan 8.310 nan 0.000 0.506 345 R N 2.308 122.730 120.500 -0.131 0.000 2.202 345 R HA 0.275 5.467 4.340 1.419 0.000 0.334 345 R C -1.003 175.196 176.300 -0.167 0.000 1.036 345 R CA -0.364 55.701 56.100 -0.058 0.000 0.878 345 R CB 0.295 30.583 30.300 -0.020 0.000 1.067 345 R HN 0.346 nan 8.270 nan 0.000 0.457 346 V N 6.721 126.582 119.914 -0.088 0.000 2.334 346 V HA 0.197 5.169 4.120 1.419 0.000 0.267 346 V C -1.836 174.064 176.094 -0.324 0.000 1.040 346 V CA -1.818 60.395 62.300 -0.145 0.000 0.866 346 V CB 1.239 33.125 31.823 0.106 0.000 1.019 346 V HN 0.535 nan 8.190 nan 0.000 0.468 347 P HA 0.230 nan 4.420 nan 0.000 0.276 347 P C -0.354 176.534 177.300 -0.688 0.000 1.264 347 P CA 0.060 62.462 63.100 -1.163 0.000 0.769 347 P CB 0.652 31.337 31.700 -1.692 0.000 0.840 348 T N 4.174 118.335 114.554 -0.654 0.000 2.847 348 T HA 0.294 5.495 4.350 1.419 0.000 0.291 348 T C -0.592 173.890 174.700 -0.362 0.000 0.998 348 T CA -0.172 61.705 62.100 -0.371 0.000 0.967 348 T CB 0.247 68.895 68.868 -0.366 0.000 0.954 348 T HN 0.139 nan 8.240 nan 0.000 0.441 349 Y N 2.116 122.301 120.300 -0.192 0.000 2.319 349 Y HA 0.469 5.871 4.550 1.419 0.000 0.328 349 Y C 0.204 176.071 175.900 -0.055 0.000 1.133 349 Y CA -0.249 57.780 58.100 -0.119 0.000 1.265 349 Y CB 0.928 39.347 38.460 -0.069 0.000 1.218 349 Y HN 0.311 nan 8.280 nan 0.000 0.508 350 V N 6.193 126.158 119.914 0.084 0.000 2.443 350 V HA 0.278 5.250 4.120 1.419 0.000 0.293 350 V C -0.521 175.661 176.094 0.146 0.000 1.021 350 V CA -1.028 61.345 62.300 0.122 0.000 0.848 350 V CB 1.677 33.573 31.823 0.122 0.000 0.998 350 V HN 0.583 nan 8.190 nan 0.000 0.424 351 L N 3.988 125.306 121.223 0.159 0.000 2.255 351 L HA 0.481 5.672 4.340 1.419 0.000 0.289 351 L C 0.191 177.178 176.870 0.194 0.000 1.046 351 L CA -0.417 54.513 54.840 0.149 0.000 0.816 351 L CB 1.468 43.595 42.059 0.114 0.000 1.197 351 L HN 0.682 nan 8.230 nan 0.000 0.427 352 E N 2.172 122.477 120.200 0.176 0.000 2.180 352 E HA 0.093 5.294 4.350 1.419 0.000 0.283 352 E C -0.244 176.528 176.600 0.288 0.000 1.061 352 E CA 0.070 56.615 56.400 0.242 0.000 0.861 352 E CB 1.152 30.911 29.700 0.098 0.000 1.056 352 E HN 0.385 nan 8.360 nan 0.000 0.407 353 S N 2.174 118.122 115.700 0.412 0.000 2.565 353 S HA 0.262 5.583 4.470 1.419 0.000 0.276 353 S C 1.179 175.857 174.600 0.129 0.000 1.326 353 S CA -0.177 58.113 58.200 0.150 0.000 1.045 353 S CB 0.802 63.982 63.200 -0.033 0.000 0.918 353 S HN 0.683 nan 8.310 nan 0.000 0.505 354 G N 3.241 112.087 108.800 0.076 0.000 3.088 354 G HA2 0.100 4.911 3.960 1.419 0.000 0.212 354 G HA3 0.100 4.911 3.960 1.419 0.000 0.212 354 G C 0.778 175.687 174.900 0.015 0.000 1.173 354 G CA -0.275 44.859 45.100 0.057 0.000 0.779 354 G HN 0.726 nan 8.290 nan 0.000 0.540 355 R N -0.238 120.246 120.500 -0.026 0.000 2.629 355 R HA 0.510 5.702 4.340 1.419 0.000 0.386 355 R C -0.067 176.149 176.300 -0.140 0.000 1.071 355 R CA -0.053 56.005 56.100 -0.069 0.000 1.104 355 R CB 1.128 31.386 30.300 -0.070 0.000 1.370 355 R HN 0.193 nan 8.270 nan 0.000 0.574 356 A N 1.659 124.390 122.820 -0.149 0.000 2.449 356 A HA 0.648 5.819 4.320 1.419 0.000 0.302 356 A C -2.588 174.973 177.584 -0.037 0.000 1.048 356 A CA -1.614 50.286 52.037 -0.228 0.000 0.708 356 A CB 1.329 19.949 19.000 -0.634 0.000 1.274 356 A HN -0.085 nan 8.150 nan 0.000 0.410 357 P HA 0.455 nan 4.420 nan 0.000 0.275 357 P C -0.563 176.851 177.300 0.190 0.000 1.266 357 P CA -0.012 63.131 63.100 0.072 0.000 0.793 357 P CB 0.728 32.441 31.700 0.022 0.000 1.074 358 T N 1.462 116.087 114.554 0.118 0.000 2.864 358 T HA 0.382 5.584 4.350 1.419 0.000 0.299 358 T C -2.224 172.489 174.700 0.020 0.000 1.011 358 T CA -0.923 61.223 62.100 0.077 0.000 0.975 358 T CB 0.566 69.437 68.868 0.005 0.000 0.962 358 T HN 0.384 nan 8.240 nan 0.000 0.448 359 P HA 0.580 nan 4.420 nan 0.000 0.272 359 P C -0.070 177.284 177.300 0.091 0.000 1.223 359 P CA -0.201 62.918 63.100 0.032 0.000 0.784 359 P CB 0.838 32.537 31.700 -0.002 0.000 0.923 360 G N 0.663 109.564 108.800 0.168 0.000 2.660 360 G HA2 0.509 5.321 3.960 1.419 0.000 0.290 360 G HA3 0.509 5.321 3.960 1.419 0.000 0.290 360 G C -3.320 171.680 174.900 0.166 0.000 1.432 360 G CA -1.241 43.941 45.100 0.138 0.000 0.807 360 G HN 0.253 nan 8.290 nan 0.000 0.485 361 P HA 0.245 nan 4.420 nan 0.000 0.262 361 P C -0.285 177.235 177.300 0.366 0.000 1.199 361 P CA 0.474 63.716 63.100 0.236 0.000 0.763 361 P CB 0.723 32.480 31.700 0.095 0.000 0.790 362 T N 2.668 117.501 114.554 0.465 0.000 2.863 362 T HA 0.446 5.648 4.350 1.419 0.000 0.285 362 T C -0.340 174.636 174.700 0.461 0.000 1.009 362 T CA -0.497 61.867 62.100 0.441 0.000 0.989 362 T CB 1.355 70.428 68.868 0.341 0.000 1.004 362 T HN -0.016 nan 8.240 nan 0.000 0.455 363 V N 2.901 123.023 119.914 0.347 0.000 2.448 363 V HA 0.356 5.328 4.120 1.419 0.000 0.295 363 V C -0.075 176.139 176.094 0.201 0.000 1.025 363 V CA -0.846 61.593 62.300 0.231 0.000 0.859 363 V CB 1.954 33.782 31.823 0.009 0.000 0.988 363 V HN 0.752 nan 8.190 nan 0.000 0.431 364 V N 6.303 126.340 119.914 0.206 0.000 2.370 364 V HA 0.186 5.158 4.120 1.419 0.000 0.257 364 V C 0.003 176.127 176.094 0.050 0.000 1.064 364 V CA -0.150 62.259 62.300 0.181 0.000 0.975 364 V CB 0.815 32.823 31.823 0.308 0.000 1.067 364 V HN 0.599 nan 8.190 nan 0.000 0.485 365 L N 7.749 129.008 121.223 0.060 0.000 2.278 365 L HA 0.455 5.647 4.340 1.419 0.000 0.287 365 L C -0.098 176.803 176.870 0.051 0.000 1.072 365 L CA 0.480 55.322 54.840 0.004 0.000 0.819 365 L CB 1.219 43.281 42.059 0.006 0.000 1.176 365 L HN 0.398 nan 8.230 nan 0.000 0.435 366 V N 4.980 124.907 119.914 0.021 0.000 2.435 366 V HA 0.338 5.310 4.120 1.419 0.000 0.290 366 V C -0.145 176.035 176.094 0.143 0.000 1.030 366 V CA -0.820 61.543 62.300 0.106 0.000 0.881 366 V CB 1.108 32.952 31.823 0.035 0.000 0.983 366 V HN 0.933 nan 8.190 nan 0.000 0.445 367 H N 2.270 121.494 119.070 0.255 0.000 2.607 367 H HA 0.676 6.083 4.556 1.419 0.000 0.367 367 H C 0.586 176.097 175.328 0.305 0.000 1.181 367 H CA 0.207 56.375 56.048 0.200 0.000 1.402 367 H CB 0.693 30.523 29.762 0.113 0.000 1.474 367 H HN 0.709 nan 8.280 nan 0.000 0.596 368 G N -0.297 108.751 108.800 0.412 0.000 2.494 368 G HA2 0.469 5.281 3.960 1.419 0.000 0.270 368 G HA3 0.469 5.281 3.960 1.419 0.000 0.270 368 G C 0.536 175.704 174.900 0.447 0.000 1.423 368 G CA -0.364 44.973 45.100 0.395 0.000 1.055 368 G HN 1.308 nan 8.290 nan 0.000 0.536 369 G N -0.741 108.242 108.800 0.305 0.000 2.591 369 G HA2 -0.150 4.661 3.960 1.419 0.000 0.226 369 G HA3 -0.150 4.661 3.960 1.419 0.000 0.226 369 G C -1.142 173.727 174.900 -0.052 0.000 1.598 369 G CA 0.595 45.788 45.100 0.154 0.000 1.349 369 G HN 0.791 nan 8.290 nan 0.000 0.493 370 P HA 0.216 nan 4.420 nan 0.000 0.236 370 P C 0.529 177.946 177.300 0.195 0.000 1.177 370 P CA 0.339 63.356 63.100 -0.138 0.000 0.773 370 P CB -0.195 31.149 31.700 -0.592 0.000 0.878 371 F N 1.322 121.348 119.950 0.127 0.000 2.678 371 F HA 0.394 5.773 4.527 1.421 0.000 0.358 371 F C 1.094 176.935 175.800 0.068 0.000 1.256 371 F CA -0.729 57.344 58.000 0.122 0.000 1.278 371 F CB -0.116 38.977 39.000 0.155 0.000 1.681 371 F HN 0.014 nan 8.300 nan 0.000 0.661 372 A N 2.318 125.270 122.820 0.220 0.000 2.599 372 A HA 0.713 5.884 4.320 1.419 0.000 0.290 372 A C -1.154 176.198 177.584 -0.387 0.000 1.101 372 A CA -0.827 51.207 52.037 -0.004 0.000 0.674 372 A CB 1.931 20.974 19.000 0.073 0.000 1.277 372 A HN 0.486 nan 8.150 nan 0.000 0.419 373 E N 0.584 120.541 120.200 -0.404 0.000 2.393 373 E HA 0.501 5.702 4.350 1.419 0.000 0.273 373 E C -1.739 174.651 176.600 -0.351 0.000 0.918 373 E CA -0.847 55.265 56.400 -0.479 0.000 0.773 373 E CB 1.820 31.454 29.700 -0.111 0.000 1.275 373 E HN 0.421 nan 8.360 nan 0.000 0.451 374 D N 1.661 121.913 120.400 -0.246 0.000 2.312 374 D HA 0.251 5.743 4.640 1.419 0.000 0.252 374 D C -0.431 175.731 176.300 -0.231 0.000 1.150 374 D CA 0.288 54.207 54.000 -0.137 0.000 0.870 374 D CB 1.548 42.356 40.800 0.014 0.000 1.153 374 D HN 0.532 nan 8.370 nan 0.000 0.457 375 S N 0.879 116.303 115.700 -0.460 0.000 2.794 375 S HA 0.225 5.547 4.470 1.419 0.000 0.299 375 S C -0.467 173.570 174.600 -0.937 0.000 1.179 375 S CA -0.963 56.823 58.200 -0.690 0.000 0.838 375 S CB 1.739 64.768 63.200 -0.286 0.000 1.206 375 S HN 0.165 nan 8.310 nan 0.000 0.523 376 D N 1.313 121.300 120.400 -0.689 0.000 2.600 376 D HA 0.439 5.931 4.640 1.419 0.000 0.226 376 D C -0.760 175.410 176.300 -0.216 0.000 1.119 376 D CA 0.316 54.114 54.000 -0.337 0.000 1.051 376 D CB -0.903 39.873 40.800 -0.040 0.000 1.106 376 D HN 0.460 nan 8.370 nan 0.000 0.491 377 S N 1.642 117.207 115.700 -0.226 0.000 2.549 377 S HA 0.235 5.557 4.470 1.419 0.000 0.280 377 S C -0.724 173.833 174.600 -0.071 0.000 1.109 377 S CA -0.989 57.131 58.200 -0.134 0.000 0.905 377 S CB 1.360 64.480 63.200 -0.133 0.000 1.081 377 S HN 0.390 nan 8.310 nan 0.000 0.477 378 W N 4.026 125.230 121.300 -0.160 0.000 2.417 378 W HA 0.073 5.584 4.660 1.418 0.000 0.332 378 W C -1.036 175.419 176.519 -0.106 0.000 1.413 378 W CA 0.913 58.182 57.345 -0.125 0.000 1.299 378 W CB 0.231 29.610 29.460 -0.135 0.000 1.304 378 W HN 0.600 nan 8.180 nan 0.000 0.565 379 D N 5.121 124.965 120.400 -0.927 0.000 2.542 379 D HA 0.130 5.622 4.640 1.419 0.000 0.252 379 D C 0.875 176.608 176.300 -0.945 0.000 1.222 379 D CA -0.281 53.312 54.000 -0.678 0.000 0.895 379 D CB 1.605 42.217 40.800 -0.312 0.000 1.207 379 D HN 0.304 nan 8.370 nan 0.000 0.558 380 T N 2.785 116.894 114.554 -0.741 0.000 2.708 380 T HA -0.115 5.086 4.350 1.419 0.000 0.266 380 T C 1.792 176.268 174.700 -0.372 0.000 1.037 380 T CA 1.106 62.904 62.100 -0.504 0.000 1.146 380 T CB -0.332 68.338 68.868 -0.329 0.000 0.865 380 T HN 0.441 nan 8.240 nan 0.000 0.435 381 F N 1.732 121.523 119.950 -0.264 0.000 2.063 381 F HA -0.187 5.184 4.527 1.408 0.000 0.298 381 F C 2.789 178.476 175.800 -0.188 0.000 1.109 381 F CA 1.142 59.023 58.000 -0.197 0.000 1.212 381 F CB -0.608 38.292 39.000 -0.167 0.000 0.973 381 F HN 0.146 nan 8.300 nan 0.000 0.480 382 A N -0.122 122.681 122.820 -0.028 0.000 1.873 382 A HA -0.061 5.111 4.320 1.419 0.000 0.215 382 A C 2.318 179.829 177.584 -0.122 0.000 1.186 382 A CA 1.609 53.602 52.037 -0.073 0.000 0.616 382 A CB -1.294 17.636 19.000 -0.117 0.000 0.823 382 A HN 0.329 nan 8.150 nan 0.000 0.442 383 A N 0.102 122.747 122.820 -0.293 0.000 2.019 383 A HA -0.059 5.113 4.320 1.419 0.000 0.219 383 A C 2.469 180.015 177.584 -0.063 0.000 1.164 383 A CA 2.213 54.110 52.037 -0.233 0.000 0.644 383 A CB -0.759 17.966 19.000 -0.458 0.000 0.805 383 A HN 0.969 nan 8.150 nan 0.000 0.449 384 S N -0.433 115.233 115.700 -0.057 0.000 2.414 384 S HA 0.019 5.340 4.470 1.419 0.000 0.227 384 S C 1.866 176.504 174.600 0.064 0.000 1.022 384 S CA 0.980 59.185 58.200 0.008 0.000 0.958 384 S CB -0.568 62.621 63.200 -0.018 0.000 0.797 384 S HN 0.426 nan 8.310 nan 0.000 0.493 385 L N 1.528 122.791 121.223 0.066 0.000 2.027 385 L HA 0.008 5.199 4.340 1.419 0.000 0.206 385 L C 3.255 180.252 176.870 0.211 0.000 1.074 385 L CA 1.179 56.107 54.840 0.145 0.000 0.745 385 L CB -0.945 41.154 42.059 0.066 0.000 0.898 385 L HN 0.460 nan 8.230 nan 0.000 0.433 386 A N 0.319 123.209 122.820 0.116 0.000 1.873 386 A HA -0.299 4.872 4.320 1.419 0.000 0.218 386 A C 2.544 180.167 177.584 0.065 0.000 1.193 386 A CA 2.251 54.341 52.037 0.089 0.000 0.629 386 A CB -0.992 18.047 19.000 0.065 0.000 0.826 386 A HN 0.423 nan 8.150 nan 0.000 0.447 387 A N -0.530 122.330 122.820 0.066 0.000 1.940 387 A HA 0.121 5.292 4.320 1.419 0.000 0.219 387 A C 2.383 179.994 177.584 0.045 0.000 1.176 387 A CA 2.245 54.314 52.037 0.054 0.000 0.631 387 A CB -0.887 18.149 19.000 0.060 0.000 0.814 387 A HN 1.238 nan 8.150 nan 0.000 0.446 388 A N -2.082 120.795 122.820 0.095 0.000 2.208 388 A HA 0.414 5.585 4.320 1.419 0.000 0.209 388 A C 1.623 179.142 177.584 -0.108 0.000 1.161 388 A CA 1.242 53.333 52.037 0.090 0.000 0.782 388 A CB -0.739 18.430 19.000 0.282 0.000 0.816 388 A HN 1.983 nan 8.150 nan 0.000 0.477 389 G N -1.753 106.969 108.800 -0.131 0.000 2.215 389 G HA2 -0.145 4.666 3.960 1.419 0.000 0.198 389 G HA3 -0.145 4.666 3.960 1.419 0.000 0.198 389 G C -0.341 174.216 174.900 -0.571 0.000 1.047 389 G CA -0.214 44.685 45.100 -0.336 0.000 0.747 389 G HN 0.313 nan 8.290 nan 0.000 0.495 390 F N 1.244 121.120 119.950 -0.123 0.000 2.482 390 F HA 0.588 5.968 4.527 1.421 0.000 0.331 390 F C 0.884 176.630 175.800 -0.089 0.000 1.115 390 F CA -1.214 56.724 58.000 -0.103 0.000 0.955 390 F CB 1.176 40.168 39.000 -0.013 0.000 1.136 390 F HN 0.070 nan 8.300 nan 0.000 0.452 391 H N 1.541 120.760 119.070 0.247 0.000 2.757 391 H HA 0.454 5.862 4.556 1.420 0.000 0.370 391 H C -0.500 174.959 175.328 0.218 0.000 1.172 391 H CA -0.060 56.104 56.048 0.193 0.000 1.426 391 H CB 1.299 31.157 29.762 0.160 0.000 1.438 391 H HN 0.289 nan 8.280 nan 0.000 0.612 392 V N 2.697 122.799 119.914 0.313 0.000 2.525 392 V HA 0.177 5.148 4.120 1.419 0.000 0.299 392 V C -0.202 176.020 176.094 0.213 0.000 1.034 392 V CA -0.786 61.648 62.300 0.223 0.000 0.863 392 V CB 1.935 33.847 31.823 0.149 0.000 0.999 392 V HN 0.410 nan 8.190 nan 0.000 0.423 393 V N 6.035 126.079 119.914 0.217 0.000 2.384 393 V HA 0.517 5.489 4.120 1.419 0.000 0.287 393 V C -0.090 176.105 176.094 0.168 0.000 1.020 393 V CA -0.327 62.100 62.300 0.211 0.000 0.850 393 V CB 1.596 33.588 31.823 0.282 0.000 0.987 393 V HN 0.898 nan 8.190 nan 0.000 0.436 394 M N 8.029 127.714 119.600 0.143 0.000 2.065 394 M HA 0.350 5.682 4.480 1.419 0.000 0.308 394 M C -2.791 173.596 176.300 0.145 0.000 0.939 394 M CA -1.502 53.888 55.300 0.149 0.000 0.890 394 M CB 2.028 34.710 32.600 0.138 0.000 1.383 394 M HN 0.344 nan 8.290 nan 0.000 0.381 395 P HA 0.140 nan 4.420 nan 0.000 0.287 395 P C -0.885 176.540 177.300 0.208 0.000 1.294 395 P CA -0.260 62.937 63.100 0.162 0.000 0.776 395 P CB 0.577 32.414 31.700 0.228 0.000 0.889 396 N N 3.636 122.395 118.700 0.099 0.000 3.178 396 N HA 0.031 5.623 4.740 1.419 0.000 0.300 396 N C 0.345 176.013 175.510 0.263 0.000 1.242 396 N CA -0.094 53.009 53.050 0.088 0.000 1.192 396 N CB -0.564 37.913 38.487 -0.018 0.000 1.463 396 N HN 0.456 nan 8.380 nan 0.000 0.539 397 Y N 0.015 120.564 120.300 0.416 0.000 2.641 397 Y HA -0.007 5.394 4.550 1.418 0.000 0.351 397 Y C 1.149 177.166 175.900 0.195 0.000 1.269 397 Y CA -1.179 57.149 58.100 0.379 0.000 1.485 397 Y CB 0.209 38.782 38.460 0.189 0.000 1.364 397 Y HN 0.231 nan 8.280 nan 0.000 0.651 398 R N 0.924 121.335 120.500 -0.148 0.000 2.623 398 R HA 0.397 5.589 4.340 1.419 0.000 0.271 398 R C 0.836 176.967 176.300 -0.283 0.000 1.043 398 R CA 0.395 55.746 56.100 -1.247 0.000 1.083 398 R CB -0.087 29.329 30.300 -1.475 0.000 0.974 398 R HN 1.382 nan 8.270 nan 0.000 0.436 399 G N 1.616 110.255 108.800 -0.269 0.000 2.254 399 G HA2 -0.287 4.524 3.960 1.419 0.000 0.225 399 G HA3 -0.287 4.524 3.960 1.419 0.000 0.225 399 G C -0.083 174.984 174.900 0.278 0.000 1.003 399 G CA 0.117 45.309 45.100 0.154 0.000 0.622 399 G HN 0.679 nan 8.290 nan 0.000 0.507 400 S N 1.894 117.684 115.700 0.151 0.000 2.568 400 S HA 0.483 5.804 4.470 1.419 0.000 0.282 400 S C 1.051 175.819 174.600 0.279 0.000 1.338 400 S CA 0.555 58.884 58.200 0.214 0.000 1.045 400 S CB 1.025 64.361 63.200 0.225 0.000 0.873 400 S HN 1.231 nan 8.310 nan 0.000 0.516 401 T N -0.642 114.029 114.554 0.196 0.000 2.788 401 T HA 0.558 5.759 4.350 1.419 0.000 0.287 401 T C 1.336 176.147 174.700 0.186 0.000 1.007 401 T CA -0.088 62.102 62.100 0.150 0.000 1.005 401 T CB 0.574 69.486 68.868 0.073 0.000 1.012 401 T HN 1.275 nan 8.240 nan 0.000 0.530 402 G N -0.126 108.708 108.800 0.057 0.000 2.194 402 G HA2 -0.232 4.579 3.960 1.419 0.000 0.236 402 G HA3 -0.232 4.579 3.960 1.419 0.000 0.236 402 G C 0.183 174.793 174.900 -0.483 0.000 0.987 402 G CA 0.290 45.275 45.100 -0.192 0.000 0.635 402 G HN 0.810 nan 8.290 nan 0.000 0.520 403 Y N 0.771 121.149 120.300 0.130 0.000 2.738 403 Y HA 0.505 5.907 4.550 1.419 0.000 0.249 403 Y C 1.210 177.192 175.900 0.137 0.000 1.153 403 Y CA 0.179 58.350 58.100 0.119 0.000 1.165 403 Y CB 1.084 39.591 38.460 0.079 0.000 1.235 403 Y HN 1.231 nan 8.280 nan 0.000 0.559 404 G N 0.581 109.490 108.800 0.182 0.000 2.650 404 G HA2 -0.215 4.596 3.960 1.419 0.000 0.686 404 G HA3 -0.215 4.596 3.960 1.419 0.000 0.686 404 G C 0.148 175.130 174.900 0.138 0.000 1.205 404 G CA -0.269 44.908 45.100 0.128 0.000 0.781 404 G HN 0.186 nan 8.290 nan 0.000 0.648 405 E N -0.115 120.120 120.200 0.058 0.000 2.160 405 E HA -0.147 5.054 4.350 1.419 0.000 0.195 405 E C 2.034 178.678 176.600 0.073 0.000 0.991 405 E CA 2.379 58.793 56.400 0.023 0.000 0.810 405 E CB -0.039 29.644 29.700 -0.027 0.000 0.742 405 E HN 0.674 nan 8.360 nan 0.000 0.466 406 E N -0.427 119.846 120.200 0.121 0.000 2.028 406 E HA -0.198 5.003 4.350 1.419 0.000 0.191 406 E C 1.865 178.607 176.600 0.237 0.000 0.988 406 E CA 1.190 57.681 56.400 0.153 0.000 0.799 406 E CB -0.518 29.275 29.700 0.155 0.000 0.755 406 E HN 0.549 nan 8.360 nan 0.000 0.447 407 W N 1.675 123.033 121.300 0.097 0.000 2.358 407 W HA -0.199 5.312 4.660 1.419 0.000 0.303 407 W C 2.354 178.966 176.519 0.156 0.000 1.208 407 W CA 1.392 58.817 57.345 0.134 0.000 1.274 407 W CB -0.105 29.451 29.460 0.160 0.000 1.138 407 W HN 0.108 nan 8.180 nan 0.000 0.515 408 R N 0.377 120.983 120.500 0.176 0.000 2.092 408 R HA -0.149 5.042 4.340 1.419 0.000 0.231 408 R C 2.227 178.574 176.300 0.079 0.000 1.119 408 R CA 1.500 57.650 56.100 0.084 0.000 0.970 408 R CB -0.611 29.696 30.300 0.012 0.000 0.864 408 R HN 0.239 nan 8.270 nan 0.000 0.440 409 L N 0.230 121.485 121.223 0.053 0.000 2.591 409 L HA 0.056 5.247 4.340 1.419 0.000 0.228 409 L C 1.866 178.766 176.870 0.049 0.000 1.133 409 L CA 0.327 55.206 54.840 0.066 0.000 0.880 409 L CB -0.044 42.037 42.059 0.037 0.000 1.033 409 L HN 0.106 nan 8.230 nan 0.000 0.450 410 K N 0.526 120.926 120.400 0.001 0.000 2.280 410 K HA -0.137 5.034 4.320 1.419 0.000 0.202 410 K C 1.999 178.587 176.600 -0.020 0.000 1.047 410 K CA 1.115 57.388 56.287 -0.023 0.000 0.942 410 K CB 0.050 32.489 32.500 -0.101 0.000 0.739 410 K HN 0.308 nan 8.250 nan 0.000 0.457 411 I N 1.137 121.701 120.570 -0.010 0.000 2.546 411 I HA -0.115 4.906 4.170 1.419 0.000 0.255 411 I C 0.182 176.305 176.117 0.010 0.000 1.163 411 I CA 0.293 61.601 61.300 0.014 0.000 1.457 411 I CB 0.313 38.338 38.000 0.042 0.000 1.092 411 I HN -0.034 nan 8.210 nan 0.000 0.434 412 I N 2.554 123.138 120.570 0.024 0.000 2.742 412 I HA -0.002 5.019 4.170 1.419 0.000 0.287 412 I C 1.486 177.586 176.117 -0.028 0.000 1.186 412 I CA 1.317 62.611 61.300 -0.010 0.000 1.417 412 I CB -0.736 37.280 38.000 0.026 0.000 1.377 412 I HN 0.529 nan 8.210 nan 0.000 0.556 413 G N 5.579 114.337 108.800 -0.070 0.000 2.175 413 G HA2 -0.252 4.560 3.960 1.419 0.000 0.244 413 G HA3 -0.252 4.560 3.960 1.419 0.000 0.244 413 G C 0.300 175.173 174.900 -0.045 0.000 0.982 413 G CA 0.310 45.371 45.100 -0.064 0.000 0.641 413 G HN 0.602 nan 8.290 nan 0.000 0.527 414 D N 0.553 120.937 120.400 -0.026 0.000 2.908 414 D HA 0.309 5.800 4.640 1.419 0.000 0.361 414 D C -2.086 174.241 176.300 0.046 0.000 1.416 414 D CA -1.007 52.997 54.000 0.006 0.000 0.796 414 D CB 0.944 41.755 40.800 0.019 0.000 1.185 414 D HN 0.303 nan 8.370 nan 0.000 0.451 415 P HA 0.053 nan 4.420 nan 0.000 0.268 415 P C 0.315 177.772 177.300 0.262 0.000 1.205 415 P CA -0.019 63.233 63.100 0.254 0.000 0.771 415 P CB 1.194 33.043 31.700 0.248 0.000 0.858 416 C N 2.319 121.759 119.300 0.232 0.000 4.209 416 C HA -0.079 5.233 4.460 1.419 0.000 0.305 416 C C 1.185 176.163 174.990 -0.020 0.000 1.339 416 C CA 0.976 60.003 59.018 0.014 0.000 2.062 416 C CB -2.242 25.530 27.740 0.053 0.000 1.307 416 C HN 0.877 nan 8.230 nan 0.000 0.706 417 G N 0.107 108.884 108.800 -0.038 0.000 3.193 417 G HA2 0.516 5.328 3.960 1.419 0.000 0.186 417 G HA3 0.516 5.328 3.960 1.419 0.000 0.186 417 G C 1.127 175.924 174.900 -0.173 0.000 1.536 417 G CA 0.672 45.719 45.100 -0.089 0.000 0.943 417 G HN 1.120 nan 8.290 nan 0.000 0.781 418 G N 0.764 109.490 108.800 -0.123 0.000 2.432 418 G HA2 -0.097 4.715 3.960 1.419 0.000 0.219 418 G HA3 -0.097 4.715 3.960 1.419 0.000 0.219 418 G C 1.492 176.379 174.900 -0.021 0.000 1.135 418 G CA 1.769 46.804 45.100 -0.109 0.000 0.767 418 G HN 0.568 nan 8.290 nan 0.000 0.550 419 E N 0.645 120.833 120.200 -0.019 0.000 2.208 419 E HA -0.076 5.125 4.350 1.419 0.000 0.193 419 E C 2.328 178.884 176.600 -0.072 0.000 0.988 419 E CA 0.655 57.052 56.400 -0.005 0.000 0.828 419 E CB -0.499 29.185 29.700 -0.026 0.000 0.763 419 E HN 0.359 nan 8.360 nan 0.000 0.478 420 L N 1.624 122.777 121.223 -0.117 0.000 2.109 420 L HA -0.074 5.117 4.340 1.419 0.000 0.207 420 L C 2.174 179.007 176.870 -0.061 0.000 1.086 420 L CA 1.684 56.449 54.840 -0.125 0.000 0.760 420 L CB -0.385 41.578 42.059 -0.160 0.000 0.910 420 L HN -0.083 nan 8.230 nan 0.000 0.437 421 E N 0.072 120.208 120.200 -0.107 0.000 2.110 421 E HA -0.203 4.999 4.350 1.419 0.000 0.193 421 E C 1.829 178.499 176.600 0.116 0.000 0.988 421 E CA 1.327 57.684 56.400 -0.072 0.000 0.804 421 E CB -0.361 29.132 29.700 -0.345 0.000 0.745 421 E HN 0.590 nan 8.360 nan 0.000 0.458 422 D N 0.519 121.032 120.400 0.188 0.000 2.084 422 D HA -0.113 5.378 4.640 1.419 0.000 0.194 422 D C 2.227 178.667 176.300 0.234 0.000 0.990 422 D CA 0.808 54.981 54.000 0.289 0.000 0.826 422 D CB -0.430 40.620 40.800 0.416 0.000 0.971 422 D HN 0.009 nan 8.370 nan 0.000 0.453 423 V N 1.315 121.346 119.914 0.195 0.000 2.252 423 V HA -0.278 4.694 4.120 1.419 0.000 0.249 423 V C 2.575 178.787 176.094 0.196 0.000 1.056 423 V CA 2.030 64.446 62.300 0.194 0.000 1.022 423 V CB -0.715 31.177 31.823 0.114 0.000 0.641 423 V HN 0.147 nan 8.190 nan 0.000 0.445 424 S N 0.196 115.980 115.700 0.139 0.000 2.370 424 S HA -0.211 5.110 4.470 1.419 0.000 0.226 424 S C 2.210 176.864 174.600 0.089 0.000 1.033 424 S CA 1.472 59.722 58.200 0.083 0.000 1.011 424 S CB -0.617 62.599 63.200 0.027 0.000 0.852 424 S HN 0.681 nan 8.310 nan 0.000 0.457 425 A N 1.510 124.410 122.820 0.133 0.000 1.978 425 A HA 0.067 5.238 4.320 1.419 0.000 0.220 425 A C 2.335 180.032 177.584 0.188 0.000 1.170 425 A CA 1.719 53.850 52.037 0.156 0.000 0.636 425 A CB -0.992 18.117 19.000 0.181 0.000 0.810 425 A HN 0.530 nan 8.150 nan 0.000 0.448 426 A N -0.261 122.672 122.820 0.188 0.000 1.930 426 A HA 0.212 5.383 4.320 1.419 0.000 0.217 426 A C 2.473 180.230 177.584 0.288 0.000 1.175 426 A CA 1.903 54.071 52.037 0.217 0.000 0.627 426 A CB -0.894 18.216 19.000 0.184 0.000 0.815 426 A HN 0.968 nan 8.150 nan 0.000 0.443 427 A N -0.283 122.658 122.820 0.203 0.000 1.841 427 A HA 0.025 5.196 4.320 1.419 0.000 0.214 427 A C 2.509 180.130 177.584 0.062 0.000 1.195 427 A CA 2.862 54.962 52.037 0.105 0.000 0.611 427 A CB -1.117 17.784 19.000 -0.165 0.000 0.835 427 A HN 0.743 nan 8.150 nan 0.000 0.443 428 R N -1.325 119.200 120.500 0.043 0.000 2.103 428 R HA -0.264 4.927 4.340 1.419 0.000 0.242 428 R C 2.055 178.412 176.300 0.095 0.000 1.142 428 R CA 2.170 58.293 56.100 0.038 0.000 0.960 428 R CB -2.083 28.247 30.300 0.049 0.000 0.858 428 R HN 0.916 nan 8.270 nan 0.000 0.439 429 W N 0.822 122.128 121.300 0.010 0.000 2.358 429 W HA -0.073 5.437 4.660 1.417 0.000 0.303 429 W C 2.561 179.088 176.519 0.015 0.000 1.208 429 W CA 1.950 59.306 57.345 0.018 0.000 1.274 429 W CB -0.270 29.208 29.460 0.031 0.000 1.138 429 W HN 0.499 nan 8.180 nan 0.000 0.515 430 A N 1.032 123.943 122.820 0.151 0.000 1.903 430 A HA -0.285 4.887 4.320 1.419 0.000 0.219 430 A C 2.082 179.513 177.584 -0.256 0.000 1.191 430 A CA 2.312 54.302 52.037 -0.078 0.000 0.638 430 A CB -0.933 18.167 19.000 0.166 0.000 0.823 430 A HN 0.447 nan 8.150 nan 0.000 0.451 431 R N -0.740 119.669 120.500 -0.151 0.000 2.062 431 R HA -0.110 5.082 4.340 1.419 0.000 0.231 431 R C 2.202 178.376 176.300 -0.210 0.000 1.136 431 R CA 1.603 57.614 56.100 -0.148 0.000 0.948 431 R CB -0.415 29.826 30.300 -0.098 0.000 0.845 431 R HN 0.705 nan 8.270 nan 0.000 0.430 432 E N 0.544 120.609 120.200 -0.224 0.000 2.153 432 E HA -0.134 5.067 4.350 1.419 0.000 0.194 432 E C 1.977 178.388 176.600 -0.315 0.000 0.988 432 E CA 1.463 57.737 56.400 -0.209 0.000 0.811 432 E CB -0.008 29.615 29.700 -0.128 0.000 0.746 432 E HN 0.344 nan 8.360 nan 0.000 0.466 433 S N -0.704 114.633 115.700 -0.604 0.000 2.447 433 S HA 0.000 5.322 4.470 1.419 0.000 0.233 433 S C 1.776 176.137 174.600 -0.397 0.000 1.006 433 S CA 0.749 58.542 58.200 -0.678 0.000 0.957 433 S CB 0.172 62.480 63.200 -1.486 0.000 0.773 433 S HN 0.427 nan 8.310 nan 0.000 0.507 434 G N 0.535 109.138 108.800 -0.328 0.000 2.238 434 G HA2 -0.238 4.574 3.960 1.419 0.000 0.217 434 G HA3 -0.238 4.574 3.960 1.419 0.000 0.217 434 G C 0.519 175.305 174.900 -0.189 0.000 0.996 434 G CA 0.224 45.202 45.100 -0.204 0.000 0.632 434 G HN 0.498 nan 8.290 nan 0.000 0.503 435 L N 1.558 122.615 121.223 -0.276 0.000 2.056 435 L HA 0.641 5.832 4.340 1.419 0.000 0.207 435 L C 1.799 178.636 176.870 -0.056 0.000 1.078 435 L CA 2.634 57.345 54.840 -0.215 0.000 0.749 435 L CB -0.331 41.567 42.059 -0.269 0.000 0.901 435 L HN 0.867 nan 8.230 nan 0.000 0.433 436 A N -1.752 121.039 122.820 -0.049 0.000 2.276 436 A HA 0.493 5.665 4.320 1.419 0.000 0.316 436 A C 1.038 178.633 177.584 0.017 0.000 1.229 436 A CA 0.139 52.203 52.037 0.045 0.000 0.851 436 A CB 0.713 19.742 19.000 0.048 0.000 1.165 436 A HN 0.403 nan 8.150 nan 0.000 0.513 437 S N 1.347 117.078 115.700 0.053 0.000 2.458 437 S HA 0.128 5.449 4.470 1.419 0.000 0.223 437 S C 0.383 174.988 174.600 0.008 0.000 1.019 437 S CA 0.659 58.873 58.200 0.023 0.000 0.937 437 S CB -0.275 62.945 63.200 0.033 0.000 0.788 437 S HN 0.873 nan 8.310 nan 0.000 0.511 438 E N 0.084 120.298 120.200 0.024 0.000 2.375 438 E HA 0.567 5.769 4.350 1.419 0.000 0.280 438 E C -1.764 174.783 176.600 -0.089 0.000 0.972 438 E CA -0.989 55.371 56.400 -0.065 0.000 0.782 438 E CB 1.051 30.696 29.700 -0.092 0.000 1.229 438 E HN 0.148 nan 8.360 nan 0.000 0.439 439 L N 2.436 123.545 121.223 -0.189 0.000 2.307 439 L HA 0.530 5.721 4.340 1.419 0.000 0.284 439 L C -1.149 175.634 176.870 -0.144 0.000 1.023 439 L CA -0.837 53.985 54.840 -0.031 0.000 0.810 439 L CB 0.703 42.778 42.059 0.027 0.000 1.231 439 L HN 0.569 nan 8.230 nan 0.000 0.423 440 Y N 3.014 123.511 120.300 0.328 0.000 2.549 440 Y HA 0.619 6.023 4.550 1.423 0.000 0.339 440 Y C -0.197 175.675 175.900 -0.047 0.000 1.053 440 Y CA -0.745 57.463 58.100 0.180 0.000 1.105 440 Y CB 2.328 40.814 38.460 0.044 0.000 1.258 440 Y HN 0.373 nan 8.280 nan 0.000 0.478 441 I N 3.177 123.592 120.570 -0.258 0.000 2.509 441 I HA 0.619 5.640 4.170 1.419 0.000 0.293 441 I C -1.380 174.576 176.117 -0.270 0.000 1.020 441 I CA -0.885 60.066 61.300 -0.581 0.000 1.088 441 I CB 1.453 38.632 38.000 -1.369 0.000 1.267 441 I HN 0.815 nan 8.210 nan 0.000 0.430 442 M N 6.766 126.232 119.600 -0.222 0.000 2.371 442 M HA 0.750 6.081 4.480 1.419 0.000 0.287 442 M C -1.464 174.715 176.300 -0.201 0.000 1.149 442 M CA -0.222 54.967 55.300 -0.185 0.000 0.929 442 M CB 2.202 34.701 32.600 -0.169 0.000 1.683 442 M HN 0.700 nan 8.290 nan 0.000 0.470 443 G N 2.202 110.877 108.800 -0.209 0.000 2.667 443 G HA2 0.482 5.294 3.960 1.419 0.000 0.294 443 G HA3 0.482 5.294 3.960 1.419 0.000 0.294 443 G C -2.970 171.844 174.900 -0.143 0.000 1.467 443 G CA -0.474 44.512 45.100 -0.189 0.000 0.852 443 G HN 0.700 nan 8.290 nan 0.000 0.521 444 Y N 1.279 121.408 120.300 -0.285 0.000 2.468 444 Y HA 0.657 6.051 4.550 1.408 0.000 0.342 444 Y C 1.078 176.949 175.900 -0.049 0.000 1.021 444 Y CA 0.879 58.853 58.100 -0.211 0.000 1.079 444 Y CB 2.175 40.473 38.460 -0.271 0.000 1.226 444 Y HN 1.385 nan 8.280 nan 0.000 0.460 445 S N 2.371 117.799 115.700 -0.453 0.000 4.064 445 S HA -0.423 4.899 4.470 1.419 0.000 0.625 445 S C 0.967 175.591 174.600 0.039 0.000 2.010 445 S CA 1.635 59.767 58.200 -0.114 0.000 4.186 445 S CB -1.699 61.611 63.200 0.184 0.000 0.211 445 S HN 0.958 nan 8.310 nan 0.000 0.605 446 Y N 2.203 122.542 120.300 0.064 0.000 2.256 446 Y HA 0.022 5.424 4.550 1.420 0.000 0.288 446 Y C 2.306 178.265 175.900 0.099 0.000 1.155 446 Y CA 2.474 60.646 58.100 0.120 0.000 1.203 446 Y CB -0.954 37.610 38.460 0.173 0.000 0.980 446 Y HN 0.528 nan 8.280 nan 0.000 0.530 447 G N -1.116 107.779 108.800 0.159 0.000 2.443 447 G HA2 -0.184 4.628 3.960 1.419 0.000 0.219 447 G HA3 -0.184 4.628 3.960 1.419 0.000 0.219 447 G C 1.856 176.701 174.900 -0.093 0.000 1.131 447 G CA 0.669 45.785 45.100 0.026 0.000 0.775 447 G HN 0.557 nan 8.290 nan 0.000 0.547 448 G N -0.246 108.495 108.800 -0.099 0.000 2.408 448 G HA2 -0.175 4.636 3.960 1.419 0.000 0.215 448 G HA3 -0.175 4.636 3.960 1.419 0.000 0.215 448 G C 1.553 176.366 174.900 -0.144 0.000 1.156 448 G CA 0.895 45.913 45.100 -0.137 0.000 0.793 448 G HN 0.362 nan 8.290 nan 0.000 0.535 449 Y N 1.158 121.266 120.300 -0.320 0.000 2.114 449 Y HA -0.199 5.201 4.550 1.416 0.000 0.282 449 Y C 2.737 178.412 175.900 -0.375 0.000 1.165 449 Y CA 1.672 59.523 58.100 -0.415 0.000 1.148 449 Y CB -0.176 37.894 38.460 -0.649 0.000 0.972 449 Y HN 0.075 nan 8.280 nan 0.000 0.504 450 M N -0.375 118.940 119.600 -0.474 0.000 2.065 450 M HA -0.231 5.101 4.480 1.419 0.000 0.259 450 M C 2.128 178.219 176.300 -0.349 0.000 1.069 450 M CA 2.254 57.266 55.300 -0.480 0.000 1.110 450 M CB -1.666 30.722 32.600 -0.353 0.000 1.328 450 M HN 0.258 nan 8.290 nan 0.000 0.405 451 T N 1.834 116.221 114.554 -0.278 0.000 2.620 451 T HA -0.215 4.987 4.350 1.419 0.000 0.267 451 T C 1.989 176.560 174.700 -0.215 0.000 1.044 451 T CA 1.685 63.633 62.100 -0.253 0.000 1.161 451 T CB -0.532 68.209 68.868 -0.213 0.000 0.862 451 T HN 0.336 nan 8.240 nan 0.000 0.438 452 L N 0.139 121.231 121.223 -0.219 0.000 2.093 452 L HA -0.089 5.102 4.340 1.419 0.000 0.208 452 L C 2.948 179.703 176.870 -0.193 0.000 1.085 452 L CA 0.917 55.651 54.840 -0.178 0.000 0.755 452 L CB -0.676 41.288 42.059 -0.157 0.000 0.904 452 L HN 0.420 nan 8.230 nan 0.000 0.435 453 C N -0.248 118.859 119.300 -0.321 0.000 2.440 453 C HA -0.072 5.240 4.460 1.419 0.000 0.278 453 C C 3.161 178.045 174.990 -0.177 0.000 1.295 453 C CA 0.442 59.281 59.018 -0.298 0.000 1.738 453 C CB -1.061 26.370 27.740 -0.514 0.000 1.987 453 C HN 0.607 nan 8.230 nan 0.000 0.492 454 A N 0.713 123.440 122.820 -0.154 0.000 1.892 454 A HA -0.171 5.001 4.320 1.419 0.000 0.218 454 A C 2.111 179.721 177.584 0.042 0.000 1.188 454 A CA 1.738 53.772 52.037 -0.005 0.000 0.631 454 A CB -0.666 18.343 19.000 0.015 0.000 0.822 454 A HN 0.627 nan 8.150 nan 0.000 0.447 455 L N -0.442 120.778 121.223 -0.004 0.000 2.341 455 L HA -0.074 5.118 4.340 1.419 0.000 0.214 455 L C 2.727 179.601 176.870 0.007 0.000 1.115 455 L CA 1.559 56.416 54.840 0.029 0.000 0.820 455 L CB -0.751 41.316 42.059 0.014 0.000 0.944 455 L HN 0.672 nan 8.230 nan 0.000 0.452 456 T N -3.190 111.351 114.554 -0.023 0.000 2.901 456 T HA -0.030 5.171 4.350 1.419 0.000 0.252 456 T C 1.840 176.512 174.700 -0.047 0.000 1.035 456 T CA 0.442 62.532 62.100 -0.016 0.000 1.142 456 T CB -0.011 68.864 68.868 0.012 0.000 0.869 456 T HN -0.014 nan 8.240 nan 0.000 0.442 457 M N 1.005 120.561 119.600 -0.073 0.000 2.388 457 M HA 0.249 5.580 4.480 1.419 0.000 0.265 457 M C 0.731 176.991 176.300 -0.067 0.000 1.088 457 M CA 0.952 56.191 55.300 -0.102 0.000 1.134 457 M CB -0.535 31.989 32.600 -0.127 0.000 1.384 457 M HN 0.162 nan 8.290 nan 0.000 0.447 458 K N 1.183 121.564 120.400 -0.032 0.000 3.122 458 K HA 0.334 5.505 4.320 1.419 0.000 0.193 458 K C -2.546 174.058 176.600 0.007 0.000 1.141 458 K CA -1.394 54.883 56.287 -0.017 0.000 0.975 458 K CB 0.556 33.052 32.500 -0.007 0.000 1.173 458 K HN 0.104 nan 8.250 nan 0.000 0.546 459 P HA -0.042 nan 4.420 nan 0.000 0.264 459 P C 0.816 178.119 177.300 0.004 0.000 1.193 459 P CA 1.045 64.156 63.100 0.017 0.000 0.763 459 P CB 0.673 32.378 31.700 0.008 0.000 0.810 460 G N 2.008 110.817 108.800 0.015 0.000 2.176 460 G HA2 -0.300 4.512 3.960 1.419 0.000 0.253 460 G HA3 -0.300 4.512 3.960 1.419 0.000 0.253 460 G C 0.461 175.323 174.900 -0.063 0.000 0.979 460 G CA 0.249 45.342 45.100 -0.013 0.000 0.641 460 G HN 0.565 nan 8.290 nan 0.000 0.530 461 L N -0.403 120.763 121.223 -0.094 0.000 2.068 461 L HA 0.586 5.778 4.340 1.419 0.000 0.204 461 L C 1.029 177.648 176.870 -0.419 0.000 1.076 461 L CA 1.082 55.753 54.840 -0.281 0.000 0.753 461 L CB -0.272 41.566 42.059 -0.370 0.000 0.910 461 L HN 0.199 nan 8.230 nan 0.000 0.439 462 F N -0.539 119.390 119.950 -0.035 0.000 2.470 462 F HA 0.322 5.704 4.527 1.424 0.000 0.329 462 F C 1.527 177.286 175.800 -0.068 0.000 1.072 462 F CA -0.502 57.466 58.000 -0.052 0.000 0.989 462 F CB 1.233 40.226 39.000 -0.011 0.000 1.193 462 F HN -0.241 nan 8.300 nan 0.000 0.481 463 K N 1.167 121.605 120.400 0.064 0.000 2.098 463 K HA 0.373 5.545 4.320 1.419 0.000 0.203 463 K C 0.006 176.686 176.600 0.133 0.000 1.051 463 K CA 0.778 57.047 56.287 -0.030 0.000 0.957 463 K CB 0.264 32.573 32.500 -0.319 0.000 0.738 463 K HN 0.705 nan 8.250 nan 0.000 0.447 464 A N -0.495 122.484 122.820 0.266 0.000 2.602 464 A HA 0.663 5.835 4.320 1.419 0.000 0.290 464 A C -1.140 176.638 177.584 0.322 0.000 1.114 464 A CA -0.441 51.819 52.037 0.372 0.000 0.683 464 A CB 1.782 21.054 19.000 0.454 0.000 1.281 464 A HN 0.190 nan 8.150 nan 0.000 0.416 465 G N -0.460 108.515 108.800 0.292 0.000 2.719 465 G HA2 0.587 5.399 3.960 1.419 0.000 0.298 465 G HA3 0.587 5.399 3.960 1.419 0.000 0.298 465 G C -1.490 173.432 174.900 0.036 0.000 1.433 465 G CA -0.372 44.778 45.100 0.083 0.000 1.034 465 G HN 1.030 nan 8.290 nan 0.000 0.517 466 V N 1.265 121.158 119.914 -0.035 0.000 2.370 466 V HA 0.727 5.699 4.120 1.419 0.000 0.283 466 V C 0.349 176.370 176.094 -0.122 0.000 1.023 466 V CA -0.631 61.607 62.300 -0.103 0.000 0.857 466 V CB 1.342 33.125 31.823 -0.067 0.000 0.985 466 V HN 1.094 nan 8.190 nan 0.000 0.443 467 A N 3.967 126.717 122.820 -0.117 0.000 2.323 467 A HA 0.805 5.976 4.320 1.419 0.000 0.305 467 A C 0.238 177.777 177.584 -0.075 0.000 1.275 467 A CA -0.174 51.797 52.037 -0.110 0.000 0.804 467 A CB 0.843 19.774 19.000 -0.115 0.000 1.152 467 A HN 0.976 nan 8.150 nan 0.000 0.487 468 G N 0.746 109.500 108.800 -0.077 0.000 2.389 468 G HA2 0.638 5.450 3.960 1.419 0.000 0.328 468 G HA3 0.638 5.450 3.960 1.419 0.000 0.328 468 G C 0.746 175.428 174.900 -0.363 0.000 1.133 468 G CA 0.055 45.115 45.100 -0.067 0.000 0.891 468 G HN 2.275 nan 8.290 nan 0.000 0.485 469 A N 1.005 123.502 122.820 -0.539 0.000 2.596 469 A HA -0.106 5.066 4.320 1.419 0.000 0.300 469 A C 1.083 178.442 177.584 -0.376 0.000 1.495 469 A CA 0.984 52.505 52.037 -0.860 0.000 0.769 469 A CB -2.051 16.081 19.000 -1.448 0.000 1.047 469 A HN 1.252 nan 8.150 nan 0.000 0.436 470 S N -1.263 114.386 115.700 -0.084 0.000 2.603 470 S HA 0.501 5.823 4.470 1.419 0.000 0.268 470 S C 0.588 175.132 174.600 -0.092 0.000 1.317 470 S CA -0.287 57.861 58.200 -0.086 0.000 1.012 470 S CB 1.582 64.740 63.200 -0.069 0.000 0.926 470 S HN 0.773 nan 8.310 nan 0.000 0.539 471 V N 2.286 122.077 119.914 -0.206 0.000 2.546 471 V HA 0.238 5.209 4.120 1.419 0.000 0.284 471 V C 0.612 176.517 176.094 -0.315 0.000 1.050 471 V CA -0.109 61.940 62.300 -0.419 0.000 0.981 471 V CB 1.331 32.584 31.823 -0.951 0.000 0.990 471 V HN 0.827 nan 8.190 nan 0.000 0.474 472 V N 1.664 121.371 119.914 -0.345 0.000 3.251 472 V HA 0.304 5.275 4.120 1.419 0.000 0.239 472 V C -0.213 175.731 176.094 -0.250 0.000 1.332 472 V CA 0.359 62.518 62.300 -0.235 0.000 1.224 472 V CB 0.868 32.571 31.823 -0.200 0.000 1.004 472 V HN 0.897 nan 8.190 nan 0.000 0.464 473 D N -1.683 118.536 120.400 -0.302 0.000 2.616 473 D HA 0.221 5.712 4.640 1.419 0.000 0.238 473 D C 0.049 176.241 176.300 -0.180 0.000 1.354 473 D CA -0.574 53.305 54.000 -0.202 0.000 0.970 473 D CB 0.990 41.726 40.800 -0.107 0.000 1.369 473 D HN 0.115 nan 8.370 nan 0.000 0.585 474 W N 2.183 123.461 121.300 -0.037 0.000 2.342 474 W HA -0.069 5.446 4.660 1.426 0.000 0.297 474 W C 1.926 178.462 176.519 0.029 0.000 1.213 474 W CA 0.480 57.813 57.345 -0.020 0.000 1.251 474 W CB 0.175 29.615 29.460 -0.034 0.000 1.136 474 W HN 0.507 nan 8.180 nan 0.000 0.526 475 E N 0.066 120.399 120.200 0.222 0.000 2.028 475 E HA -0.245 4.957 4.350 1.419 0.000 0.191 475 E C 1.938 178.632 176.600 0.158 0.000 0.988 475 E CA 1.399 57.890 56.400 0.152 0.000 0.799 475 E CB -0.357 29.391 29.700 0.080 0.000 0.755 475 E HN 0.372 nan 8.360 nan 0.000 0.447 476 E N 0.646 120.897 120.200 0.084 0.000 2.107 476 E HA -0.167 5.034 4.350 1.419 0.000 0.191 476 E C 2.135 178.770 176.600 0.059 0.000 0.982 476 E CA 0.546 56.977 56.400 0.052 0.000 0.809 476 E CB 0.006 29.702 29.700 -0.007 0.000 0.756 476 E HN 0.146 nan 8.360 nan 0.000 0.459 477 M N -0.106 119.525 119.600 0.052 0.000 2.108 477 M HA -0.243 5.089 4.480 1.419 0.000 0.261 477 M C 2.078 178.460 176.300 0.138 0.000 1.066 477 M CA 1.651 56.980 55.300 0.048 0.000 1.107 477 M CB -0.240 32.366 32.600 0.009 0.000 1.356 477 M HN 0.244 nan 8.290 nan 0.000 0.406 478 Y N 1.100 121.463 120.300 0.105 0.000 2.114 478 Y HA -0.259 5.142 4.550 1.418 0.000 0.284 478 Y C 1.932 177.879 175.900 0.078 0.000 1.143 478 Y CA 2.395 60.569 58.100 0.123 0.000 1.135 478 Y CB -0.427 38.111 38.460 0.130 0.000 0.980 478 Y HN 0.335 nan 8.280 nan 0.000 0.499 479 E N 0.063 120.364 120.200 0.167 0.000 2.219 479 E HA -0.216 4.986 4.350 1.419 0.000 0.198 479 E C 1.620 178.203 176.600 -0.028 0.000 0.998 479 E CA 1.476 57.906 56.400 0.051 0.000 0.818 479 E CB -0.251 29.505 29.700 0.093 0.000 0.741 479 E HN 0.525 nan 8.360 nan 0.000 0.477 480 L N 0.308 121.518 121.223 -0.022 0.000 2.667 480 L HA 0.147 5.339 4.340 1.419 0.000 0.232 480 L C 0.343 177.179 176.870 -0.057 0.000 1.138 480 L CA -0.341 54.476 54.840 -0.039 0.000 0.921 480 L CB 0.548 42.585 42.059 -0.036 0.000 1.180 480 L HN -0.114 nan 8.230 nan 0.000 0.487 481 S N -0.059 115.598 115.700 -0.072 0.000 2.617 481 S HA 0.248 5.570 4.470 1.419 0.000 0.283 481 S C -0.347 174.234 174.600 -0.031 0.000 1.189 481 S CA -0.864 57.313 58.200 -0.038 0.000 1.036 481 S CB 1.490 64.704 63.200 0.024 0.000 1.014 481 S HN 0.280 nan 8.310 nan 0.000 0.522 482 D N 0.643 121.074 120.400 0.051 0.000 2.398 482 D HA 0.395 5.886 4.640 1.419 0.000 0.247 482 D C 1.191 177.494 176.300 0.005 0.000 1.227 482 D CA -0.279 53.742 54.000 0.034 0.000 0.980 482 D CB 0.246 41.086 40.800 0.068 0.000 1.106 482 D HN 0.377 nan 8.370 nan 0.000 0.493 483 A N 0.703 123.498 122.820 -0.042 0.000 1.917 483 A HA -0.095 5.076 4.320 1.419 0.000 0.219 483 A C 2.202 179.727 177.584 -0.099 0.000 1.182 483 A CA 2.981 54.977 52.037 -0.068 0.000 0.633 483 A CB -1.406 17.554 19.000 -0.067 0.000 0.819 483 A HN 0.753 nan 8.150 nan 0.000 0.448 484 A N -1.563 121.116 122.820 -0.235 0.000 1.873 484 A HA 0.067 5.239 4.320 1.419 0.000 0.215 484 A C 1.973 179.322 177.584 -0.392 0.000 1.186 484 A CA 1.376 53.065 52.037 -0.580 0.000 0.616 484 A CB -0.689 17.561 19.000 -1.250 0.000 0.823 484 A HN 0.483 nan 8.150 nan 0.000 0.442 485 F N -0.116 119.779 119.950 -0.092 0.000 2.325 485 F HA -0.044 5.336 4.527 1.423 0.000 0.299 485 F C 2.566 178.475 175.800 0.183 0.000 1.090 485 F CA 1.072 59.178 58.000 0.177 0.000 1.392 485 F CB -0.064 39.011 39.000 0.126 0.000 1.053 485 F HN 0.109 nan 8.300 nan 0.000 0.521 486 R N 0.031 120.637 120.500 0.177 0.000 2.075 486 R HA -0.173 5.019 4.340 1.419 0.000 0.232 486 R C 2.156 178.622 176.300 0.276 0.000 1.126 486 R CA 1.376 57.521 56.100 0.075 0.000 0.963 486 R CB -0.714 29.436 30.300 -0.250 0.000 0.858 486 R HN 0.310 nan 8.270 nan 0.000 0.435 487 N N 0.624 119.450 118.700 0.210 0.000 2.120 487 N HA -0.193 5.399 4.740 1.419 0.000 0.188 487 N C 1.675 177.361 175.510 0.294 0.000 1.024 487 N CA 1.201 54.389 53.050 0.231 0.000 0.852 487 N CB -0.049 38.550 38.487 0.187 0.000 1.003 487 N HN 0.100 nan 8.380 nan 0.000 0.424 488 F N 1.621 121.713 119.950 0.237 0.000 2.113 488 F HA 0.035 5.414 4.527 1.420 0.000 0.297 488 F C 2.314 178.210 175.800 0.160 0.000 1.103 488 F CA 0.879 59.017 58.000 0.230 0.000 1.248 488 F CB -0.253 38.907 39.000 0.266 0.000 0.999 488 F HN -0.039 nan 8.300 nan 0.000 0.475 489 I N 0.368 121.177 120.570 0.399 0.000 2.194 489 I HA -0.344 4.678 4.170 1.419 0.000 0.246 489 I C 2.203 178.318 176.117 -0.003 0.000 1.093 489 I CA 1.811 63.241 61.300 0.216 0.000 1.355 489 I CB -0.558 37.710 38.000 0.447 0.000 1.046 489 I HN 0.219 nan 8.210 nan 0.000 0.413 490 E N 0.214 120.476 120.200 0.103 0.000 2.058 490 E HA -0.312 4.890 4.350 1.419 0.000 0.194 490 E C 2.230 178.783 176.600 -0.077 0.000 0.997 490 E CA 1.348 57.753 56.400 0.009 0.000 0.801 490 E CB -0.165 29.595 29.700 0.101 0.000 0.746 490 E HN 0.488 nan 8.360 nan 0.000 0.450 491 Q N 0.135 119.881 119.800 -0.090 0.000 2.084 491 Q HA -0.184 5.008 4.340 1.419 0.000 0.202 491 Q C 2.205 178.058 176.000 -0.246 0.000 0.978 491 Q CA 1.037 56.755 55.803 -0.143 0.000 0.844 491 Q CB -0.009 28.631 28.738 -0.163 0.000 0.898 491 Q HN 0.178 nan 8.270 nan 0.000 0.426 492 L N -0.107 120.879 121.223 -0.396 0.000 2.131 492 L HA -0.075 5.117 4.340 1.419 0.000 0.206 492 L C 2.078 178.741 176.870 -0.345 0.000 1.087 492 L CA 1.969 56.560 54.840 -0.415 0.000 0.767 492 L CB -0.335 41.415 42.059 -0.514 0.000 0.917 492 L HN 0.272 nan 8.230 nan 0.000 0.441 493 T N -3.605 110.728 114.554 -0.368 0.000 3.107 493 T HA 0.265 5.466 4.350 1.419 0.000 0.249 493 T C 1.328 175.910 174.700 -0.197 0.000 1.096 493 T CA 0.170 62.067 62.100 -0.337 0.000 1.012 493 T CB -0.611 68.010 68.868 -0.412 0.000 0.977 493 T HN 0.532 nan 8.240 nan 0.000 0.527 494 G N 1.353 110.061 108.800 -0.153 0.000 2.341 494 G HA2 0.065 4.876 3.960 1.419 0.000 0.292 494 G HA3 0.065 4.876 3.960 1.419 0.000 0.292 494 G C 1.007 175.858 174.900 -0.082 0.000 1.021 494 G CA 0.155 45.199 45.100 -0.092 0.000 0.905 494 G HN 1.755 nan 8.290 nan 0.000 0.508 495 G N -1.824 106.918 108.800 -0.097 0.000 2.249 495 G HA2 0.041 4.852 3.960 1.419 0.000 0.273 495 G HA3 0.041 4.852 3.960 1.419 0.000 0.273 495 G C 0.343 175.186 174.900 -0.095 0.000 1.036 495 G CA 1.145 46.194 45.100 -0.086 0.000 0.824 495 G HN 2.089 nan 8.290 nan 0.000 0.504 496 S N -1.352 114.279 115.700 -0.116 0.000 2.498 496 S HA 0.605 5.927 4.470 1.419 0.000 0.317 496 S C 1.236 175.769 174.600 -0.111 0.000 1.090 496 S CA -0.092 58.050 58.200 -0.096 0.000 1.089 496 S CB 1.305 64.459 63.200 -0.078 0.000 0.997 496 S HN 0.488 nan 8.310 nan 0.000 0.470 497 R N 3.200 123.644 120.500 -0.093 0.000 2.115 497 R HA 0.051 5.242 4.340 1.419 0.000 0.226 497 R C 1.833 178.107 176.300 -0.042 0.000 1.100 497 R CA 1.181 57.232 56.100 -0.082 0.000 0.980 497 R CB -0.093 30.164 30.300 -0.072 0.000 0.875 497 R HN 0.722 nan 8.270 nan 0.000 0.445 498 E N 0.501 120.682 120.200 -0.032 0.000 2.058 498 E HA -0.225 4.976 4.350 1.419 0.000 0.194 498 E C 1.891 178.492 176.600 0.002 0.000 0.997 498 E CA 1.320 57.715 56.400 -0.009 0.000 0.801 498 E CB -0.004 29.692 29.700 -0.007 0.000 0.746 498 E HN 0.327 nan 8.360 nan 0.000 0.450 499 I N 0.696 121.251 120.570 -0.025 0.000 2.179 499 I HA -0.279 4.742 4.170 1.419 0.000 0.242 499 I C 2.583 178.691 176.117 -0.014 0.000 1.088 499 I CA 1.088 62.370 61.300 -0.029 0.000 1.357 499 I CB -0.909 37.039 38.000 -0.087 0.000 1.051 499 I HN 0.213 nan 8.210 nan 0.000 0.409 500 M N -0.272 119.293 119.600 -0.058 0.000 2.088 500 M HA -0.297 5.035 4.480 1.419 0.000 0.256 500 M C 2.519 178.928 176.300 0.182 0.000 1.071 500 M CA 2.112 57.428 55.300 0.028 0.000 1.097 500 M CB -0.461 32.134 32.600 -0.007 0.000 1.315 500 M HN 0.132 nan 8.290 nan 0.000 0.406 501 R N -0.115 120.440 120.500 0.092 0.000 2.055 501 R HA -0.118 5.074 4.340 1.419 0.000 0.226 501 R C 2.449 178.801 176.300 0.087 0.000 1.135 501 R CA 1.871 58.016 56.100 0.074 0.000 0.959 501 R CB -0.224 30.091 30.300 0.026 0.000 0.854 501 R HN 0.455 nan 8.270 nan 0.000 0.431 502 S N 0.245 116.006 115.700 0.102 0.000 2.399 502 S HA -0.060 5.261 4.470 1.419 0.000 0.231 502 S C 1.427 176.184 174.600 0.261 0.000 1.022 502 S CA 0.625 58.921 58.200 0.161 0.000 0.983 502 S CB -0.052 63.223 63.200 0.126 0.000 0.803 502 S HN 0.259 nan 8.310 nan 0.000 0.480 503 R N 1.654 122.307 120.500 0.254 0.000 2.391 503 R HA 0.396 5.587 4.340 1.419 0.000 0.249 503 R C -0.346 176.246 176.300 0.487 0.000 0.957 503 R CA -0.018 56.292 56.100 0.350 0.000 1.093 503 R CB -0.566 29.936 30.300 0.337 0.000 1.156 503 R HN 0.313 nan 8.270 nan 0.000 0.526 504 S N 2.177 118.067 115.700 0.318 0.000 2.438 504 S HA 0.247 5.568 4.470 1.419 0.000 0.293 504 S C -1.677 172.963 174.600 0.068 0.000 1.141 504 S CA -1.258 57.043 58.200 0.168 0.000 1.080 504 S CB 1.956 65.193 63.200 0.061 0.000 0.978 504 S HN -0.042 nan 8.310 nan 0.000 0.479 505 P HA -0.126 nan 4.420 nan 0.000 0.217 505 P C 1.372 178.645 177.300 -0.046 0.000 1.148 505 P CA 0.701 63.816 63.100 0.026 0.000 0.828 505 P CB 0.095 31.771 31.700 -0.040 0.000 0.783 506 I N -0.640 119.873 120.570 -0.094 0.000 2.335 506 I HA -0.235 4.787 4.170 1.419 0.000 0.251 506 I C 0.940 176.968 176.117 -0.149 0.000 1.129 506 I CA 1.507 62.735 61.300 -0.120 0.000 1.402 506 I CB -0.121 37.805 38.000 -0.123 0.000 1.069 506 I HN -0.084 nan 8.210 nan 0.000 0.424 507 N N -0.012 118.542 118.700 -0.243 0.000 2.449 507 N HA -0.027 5.565 4.740 1.419 0.000 0.191 507 N C 0.333 175.540 175.510 -0.504 0.000 1.161 507 N CA 0.599 53.431 53.050 -0.362 0.000 0.863 507 N CB -0.089 38.142 38.487 -0.427 0.000 0.980 507 N HN 0.501 nan 8.380 nan 0.000 0.458 508 H N -1.165 117.890 119.070 -0.026 0.000 2.885 508 H HA 0.248 5.655 4.556 1.418 0.000 0.254 508 H C 1.491 176.799 175.328 -0.033 0.000 1.185 508 H CA -0.225 55.808 56.048 -0.025 0.000 1.029 508 H CB 0.298 30.045 29.762 -0.025 0.000 1.743 508 H HN -0.101 nan 8.280 nan 0.000 0.632 509 V N 0.451 120.381 119.914 0.027 0.000 2.469 509 V HA -0.243 4.728 4.120 1.419 0.000 0.251 509 V C 2.031 178.133 176.094 0.014 0.000 1.064 509 V CA 2.202 64.501 62.300 -0.003 0.000 1.066 509 V CB -0.209 31.586 31.823 -0.046 0.000 0.667 509 V HN 0.322 nan 8.190 nan 0.000 0.461 510 D N -0.283 120.132 120.400 0.024 0.000 2.351 510 D HA -0.130 5.362 4.640 1.419 0.000 0.216 510 D C 2.215 178.532 176.300 0.028 0.000 0.968 510 D CA 0.843 54.858 54.000 0.025 0.000 0.899 510 D CB -0.024 40.792 40.800 0.026 0.000 0.907 510 D HN 0.428 nan 8.370 nan 0.000 0.514 511 R N -0.601 119.919 120.500 0.033 0.000 2.280 511 R HA 0.222 5.414 4.340 1.419 0.000 0.195 511 R C 0.435 176.748 176.300 0.021 0.000 0.935 511 R CA -0.192 55.921 56.100 0.022 0.000 1.033 511 R CB 0.509 30.817 30.300 0.013 0.000 0.964 511 R HN 0.204 nan 8.270 nan 0.000 0.489 512 I N 2.139 122.723 120.570 0.024 0.000 2.710 512 I HA -0.101 4.920 4.170 1.419 0.000 0.286 512 I C 1.142 177.283 176.117 0.039 0.000 1.181 512 I CA 0.776 62.094 61.300 0.030 0.000 1.430 512 I CB 0.576 38.592 38.000 0.028 0.000 1.367 512 I HN -0.068 nan 8.210 nan 0.000 0.577 513 K N 4.415 124.842 120.400 0.046 0.000 2.477 513 K HA 0.289 5.461 4.320 1.419 0.000 0.208 513 K C -0.291 176.348 176.600 0.066 0.000 1.117 513 K CA 0.017 56.333 56.287 0.049 0.000 1.039 513 K CB 0.740 33.261 32.500 0.035 0.000 0.937 513 K HN 0.505 nan 8.250 nan 0.000 0.570 514 E N 0.914 121.165 120.200 0.085 0.000 2.244 514 E HA 0.352 5.553 4.350 1.419 0.000 0.266 514 E C -2.682 174.008 176.600 0.149 0.000 0.914 514 E CA -2.218 54.250 56.400 0.114 0.000 0.794 514 E CB 1.271 31.049 29.700 0.129 0.000 1.210 514 E HN -0.196 nan 8.360 nan 0.000 0.414 515 P HA 0.090 nan 4.420 nan 0.000 0.268 515 P C -1.222 176.280 177.300 0.336 0.000 1.208 515 P CA -0.199 63.073 63.100 0.287 0.000 0.777 515 P CB 0.376 32.271 31.700 0.324 0.000 0.875 516 L N 1.758 123.154 121.223 0.290 0.000 2.516 516 L HA 0.675 5.866 4.340 1.419 0.000 0.267 516 L C -1.306 175.462 176.870 -0.171 0.000 0.957 516 L CA -0.856 54.034 54.840 0.084 0.000 0.860 516 L CB 1.438 43.536 42.059 0.067 0.000 1.265 516 L HN 0.406 nan 8.230 nan 0.000 0.403 517 A N 6.036 128.516 122.820 -0.567 0.000 2.276 517 A HA 0.776 5.948 4.320 1.419 0.000 0.316 517 A C -1.062 176.373 177.584 -0.248 0.000 1.229 517 A CA -0.426 51.219 52.037 -0.654 0.000 0.851 517 A CB 0.404 18.659 19.000 -1.242 0.000 1.165 517 A HN 0.716 nan 8.150 nan 0.000 0.513 518 L N 3.418 124.575 121.223 -0.111 0.000 2.296 518 L HA 0.565 5.756 4.340 1.419 0.000 0.286 518 L C -0.639 176.259 176.870 0.046 0.000 1.023 518 L CA -0.178 54.639 54.840 -0.038 0.000 0.812 518 L CB 1.389 43.423 42.059 -0.042 0.000 1.223 518 L HN 0.574 nan 8.230 nan 0.000 0.421 519 I N 2.209 122.824 120.570 0.075 0.000 2.498 519 I HA 0.419 5.440 4.170 1.419 0.000 0.290 519 I C -0.996 175.197 176.117 0.127 0.000 1.032 519 I CA -0.554 60.825 61.300 0.131 0.000 1.073 519 I CB 1.956 40.024 38.000 0.113 0.000 1.251 519 I HN 0.571 nan 8.210 nan 0.000 0.426 520 H N 5.936 125.032 119.070 0.043 0.000 3.026 520 H HA 0.401 5.801 4.556 1.407 0.000 0.352 520 H C -2.802 172.546 175.328 0.033 0.000 1.090 520 H CA -1.357 54.697 56.048 0.011 0.000 1.268 520 H CB 3.033 32.780 29.762 -0.026 0.000 1.816 520 H HN 0.231 nan 8.280 nan 0.000 0.518 521 P HA 0.040 nan 4.420 nan 0.000 0.281 521 P C 0.165 177.554 177.300 0.150 0.000 1.252 521 P CA -0.270 62.868 63.100 0.064 0.000 0.778 521 P CB 1.018 32.730 31.700 0.020 0.000 0.895 522 Q N 2.861 122.727 119.800 0.111 0.000 2.170 522 Q HA -0.153 5.039 4.340 1.419 0.000 0.203 522 Q C 0.341 176.388 176.000 0.078 0.000 0.976 522 Q CA 1.562 57.421 55.803 0.095 0.000 0.858 522 Q CB -0.476 28.294 28.738 0.055 0.000 0.907 522 Q HN 0.269 nan 8.270 nan 0.000 0.433 523 N N 1.326 120.065 118.700 0.065 0.000 2.321 523 N HA 0.064 5.656 4.740 1.419 0.000 0.242 523 N C -1.001 174.537 175.510 0.046 0.000 1.141 523 N CA -0.016 53.059 53.050 0.043 0.000 0.864 523 N CB 0.331 38.835 38.487 0.027 0.000 1.100 523 N HN 0.288 nan 8.380 nan 0.000 0.510 524 D N 0.881 121.325 120.400 0.075 0.000 2.434 524 D HA 0.003 5.495 4.640 1.419 0.000 0.252 524 D C 0.983 177.290 176.300 0.011 0.000 1.185 524 D CA 0.322 54.364 54.000 0.069 0.000 0.886 524 D CB 0.887 41.740 40.800 0.088 0.000 1.148 524 D HN 0.207 nan 8.370 nan 0.000 0.483 525 S N 3.641 119.312 115.700 -0.047 0.000 2.511 525 S HA 0.093 5.414 4.470 1.419 0.000 0.214 525 S C 1.525 175.951 174.600 -0.291 0.000 0.997 525 S CA -0.284 57.846 58.200 -0.116 0.000 0.908 525 S CB 0.454 63.606 63.200 -0.079 0.000 0.803 525 S HN 0.436 nan 8.310 nan 0.000 0.504 526 R N 2.041 122.286 120.500 -0.424 0.000 2.048 526 R HA 0.080 5.271 4.340 1.419 0.000 0.224 526 R C 0.367 176.369 176.300 -0.495 0.000 1.163 526 R CA 1.434 57.038 56.100 -0.827 0.000 0.956 526 R CB -0.861 28.834 30.300 -1.010 0.000 0.849 526 R HN 0.500 nan 8.270 nan 0.000 0.435 527 T N 1.640 116.023 114.554 -0.286 0.000 2.929 527 T HA 0.361 5.563 4.350 1.419 0.000 0.331 527 T C -2.507 172.251 174.700 0.097 0.000 1.120 527 T CA -2.139 59.903 62.100 -0.095 0.000 0.973 527 T CB 1.584 70.428 68.868 -0.039 0.000 1.036 527 T HN -0.027 nan 8.240 nan 0.000 0.502 528 P HA 0.241 nan 4.420 nan 0.000 0.276 528 P C 0.618 177.860 177.300 -0.096 0.000 1.261 528 P CA -0.821 62.286 63.100 0.013 0.000 0.800 528 P CB 1.301 32.968 31.700 -0.055 0.000 1.066 529 L N 1.011 122.142 121.223 -0.154 0.000 2.307 529 L HA 0.088 5.279 4.340 1.419 0.000 0.211 529 L C 2.451 179.169 176.870 -0.253 0.000 1.099 529 L CA 1.503 56.121 54.840 -0.369 0.000 0.816 529 L CB -0.908 41.045 42.059 -0.175 0.000 0.952 529 L HN 0.269 nan 8.230 nan 0.000 0.455 530 K N 0.064 120.374 120.400 -0.150 0.000 2.034 530 K HA -0.203 4.969 4.320 1.419 0.000 0.214 530 K C -0.513 176.005 176.600 -0.137 0.000 1.051 530 K CA 2.321 58.538 56.287 -0.116 0.000 0.931 530 K CB -1.100 31.354 32.500 -0.077 0.000 0.715 530 K HN 0.303 nan 8.250 nan 0.000 0.446 531 P HA -0.150 nan 4.420 nan 0.000 0.217 531 P C 1.294 178.477 177.300 -0.196 0.000 1.150 531 P CA 0.905 63.910 63.100 -0.157 0.000 0.832 531 P CB 0.035 31.639 31.700 -0.160 0.000 0.787 532 L N -1.099 119.962 121.223 -0.269 0.000 2.131 532 L HA -0.145 5.046 4.340 1.419 0.000 0.210 532 L C 2.227 178.960 176.870 -0.229 0.000 1.092 532 L CA 1.561 56.225 54.840 -0.294 0.000 0.759 532 L CB -0.976 40.806 42.059 -0.462 0.000 0.903 532 L HN -0.113 nan 8.230 nan 0.000 0.435 533 L N -1.059 120.051 121.223 -0.188 0.000 2.046 533 L HA -0.239 4.953 4.340 1.419 0.000 0.208 533 L C 2.717 179.512 176.870 -0.126 0.000 1.077 533 L CA 1.517 56.278 54.840 -0.132 0.000 0.747 533 L CB -0.560 41.440 42.059 -0.098 0.000 0.896 533 L HN 0.277 nan 8.230 nan 0.000 0.432 534 R N 0.137 120.562 120.500 -0.125 0.000 2.148 534 R HA -0.180 5.011 4.340 1.419 0.000 0.227 534 R C 2.255 178.472 176.300 -0.137 0.000 1.103 534 R CA 0.933 56.967 56.100 -0.110 0.000 0.983 534 R CB -0.093 30.149 30.300 -0.096 0.000 0.874 534 R HN 0.188 nan 8.270 nan 0.000 0.451 535 L N 0.423 121.539 121.223 -0.178 0.000 2.093 535 L HA -0.086 5.106 4.340 1.419 0.000 0.208 535 L C 1.906 178.594 176.870 -0.304 0.000 1.085 535 L CA 1.710 56.418 54.840 -0.221 0.000 0.755 535 L CB -0.192 41.724 42.059 -0.239 0.000 0.904 535 L HN 0.204 nan 8.230 nan 0.000 0.435 536 M N -0.945 118.454 119.600 -0.335 0.000 2.132 536 M HA -0.072 5.260 4.480 1.419 0.000 0.263 536 M C 2.191 178.374 176.300 -0.194 0.000 1.065 536 M CA 1.562 56.592 55.300 -0.450 0.000 1.122 536 M CB -1.080 31.373 32.600 -0.245 0.000 1.365 536 M HN 0.448 nan 8.290 nan 0.000 0.411 537 G N 0.144 108.879 108.800 -0.108 0.000 2.442 537 G HA2 -0.208 4.604 3.960 1.419 0.000 0.219 537 G HA3 -0.208 4.604 3.960 1.419 0.000 0.219 537 G C 1.512 176.381 174.900 -0.052 0.000 1.141 537 G CA 0.824 45.895 45.100 -0.049 0.000 0.763 537 G HN 0.338 nan 8.290 nan 0.000 0.554 538 E N 0.317 120.461 120.200 -0.094 0.000 2.028 538 E HA 0.009 5.210 4.350 1.419 0.000 0.190 538 E C 2.802 179.360 176.600 -0.070 0.000 0.984 538 E CA 0.298 56.651 56.400 -0.080 0.000 0.800 538 E CB -0.513 29.129 29.700 -0.098 0.000 0.758 538 E HN 0.414 nan 8.360 nan 0.000 0.448 539 L N 0.655 121.793 121.223 -0.141 0.000 1.997 539 L HA -0.265 4.926 4.340 1.419 0.000 0.216 539 L C 2.685 179.599 176.870 0.073 0.000 1.074 539 L CA 1.210 55.993 54.840 -0.096 0.000 0.763 539 L CB -0.623 41.202 42.059 -0.391 0.000 0.890 539 L HN 0.165 nan 8.230 nan 0.000 0.434 540 L N -0.104 121.196 121.223 0.128 0.000 2.017 540 L HA -0.154 5.038 4.340 1.419 0.000 0.208 540 L C 2.643 179.561 176.870 0.080 0.000 1.073 540 L CA 2.050 56.994 54.840 0.173 0.000 0.745 540 L CB -0.784 41.379 42.059 0.173 0.000 0.894 540 L HN 0.168 nan 8.230 nan 0.000 0.432 541 A N -0.177 122.668 122.820 0.041 0.000 1.917 541 A HA -0.227 4.944 4.320 1.419 0.000 0.219 541 A C 2.183 179.782 177.584 0.024 0.000 1.182 541 A CA 2.018 54.069 52.037 0.022 0.000 0.633 541 A CB -0.575 18.426 19.000 0.003 0.000 0.819 541 A HN 0.585 nan 8.150 nan 0.000 0.448 542 R N -1.319 119.196 120.500 0.025 0.000 2.480 542 R HA 0.302 5.493 4.340 1.419 0.000 0.277 542 R C 0.943 177.266 176.300 0.038 0.000 1.008 542 R CA 0.387 56.502 56.100 0.024 0.000 1.090 542 R CB -0.148 30.160 30.300 0.013 0.000 1.234 542 R HN 0.651 nan 8.270 nan 0.000 0.549 543 G N 1.954 110.785 108.800 0.051 0.000 2.198 543 G HA2 -0.277 4.535 3.960 1.419 0.000 0.260 543 G HA3 -0.277 4.535 3.960 1.419 0.000 0.260 543 G C -0.160 174.785 174.900 0.075 0.000 1.025 543 G CA 0.198 45.332 45.100 0.057 0.000 0.769 543 G HN 0.111 nan 8.290 nan 0.000 0.507 544 K N 0.346 120.810 120.400 0.107 0.000 2.118 544 K HA 0.534 5.706 4.320 1.419 0.000 0.267 544 K C 0.261 176.988 176.600 0.212 0.000 0.991 544 K CA -0.335 56.033 56.287 0.135 0.000 0.916 544 K CB 1.218 33.786 32.500 0.113 0.000 1.041 544 K HN 0.071 nan 8.250 nan 0.000 0.455 545 T N 3.912 118.571 114.554 0.175 0.000 2.743 545 T HA 0.492 5.694 4.350 1.419 0.000 0.293 545 T C -0.383 174.466 174.700 0.248 0.000 0.945 545 T CA -0.360 61.829 62.100 0.148 0.000 1.030 545 T CB -0.363 68.565 68.868 0.100 0.000 0.912 545 T HN 0.432 nan 8.240 nan 0.000 0.483 546 F N 1.011 120.977 119.950 0.026 0.000 2.626 546 F HA 0.764 6.134 4.527 1.405 0.000 0.311 546 F C -0.540 175.244 175.800 -0.027 0.000 1.088 546 F CA -1.408 56.590 58.000 -0.003 0.000 0.949 546 F CB 1.416 40.388 39.000 -0.046 0.000 1.322 546 F HN 0.491 nan 8.300 nan 0.000 0.461 547 E N 2.022 122.211 120.200 -0.018 0.000 2.221 547 E HA 0.845 6.047 4.350 1.419 0.000 0.268 547 E C -1.530 175.045 176.600 -0.043 0.000 0.933 547 E CA -1.405 54.896 56.400 -0.165 0.000 0.809 547 E CB 2.187 31.813 29.700 -0.122 0.000 1.190 547 E HN 1.017 nan 8.360 nan 0.000 0.406 548 A N 2.350 125.053 122.820 -0.194 0.000 2.435 548 A HA 0.543 5.715 4.320 1.419 0.000 0.304 548 A C -1.364 175.934 177.584 -0.476 0.000 1.064 548 A CA -0.796 51.150 52.037 -0.151 0.000 0.727 548 A CB 1.315 20.371 19.000 0.094 0.000 1.284 548 A HN 0.717 nan 8.150 nan 0.000 0.415 549 H N 1.969 121.067 119.070 0.047 0.000 3.013 549 H HA 0.357 4.931 4.556 0.030 0.000 0.326 549 H C -1.235 174.126 175.328 0.055 0.000 0.973 549 H CA -0.214 55.859 56.048 0.041 0.000 1.369 549 H CB 1.170 30.948 29.762 0.026 0.000 1.598 549 H HN 0.530 nan 8.280 nan 0.000 0.518 550 I N 4.405 125.061 120.570 0.144 0.000 2.331 550 I HA 0.190 5.212 4.170 1.419 0.000 0.292 550 I C 0.041 176.218 176.117 0.101 0.000 0.998 550 I CA -0.743 60.627 61.300 0.118 0.000 1.267 550 I CB 1.157 39.202 38.000 0.076 0.000 1.386 550 I HN 0.275 nan 8.210 nan 0.000 0.476 551 I N 9.027 129.652 120.570 0.093 0.000 2.353 551 I HA 0.331 5.353 4.170 1.419 0.000 0.293 551 I C -2.072 174.076 176.117 0.052 0.000 0.992 551 I CA -1.936 59.402 61.300 0.063 0.000 1.268 551 I CB 1.095 39.126 38.000 0.051 0.000 1.387 551 I HN 0.344 nan 8.210 nan 0.000 0.478 552 P HA 0.168 nan 4.420 nan 0.000 0.281 552 P C -0.735 176.582 177.300 0.027 0.000 1.249 552 P CA -0.141 62.978 63.100 0.032 0.000 0.810 552 P CB 0.711 32.425 31.700 0.025 0.000 1.008 553 D N -1.261 119.154 120.400 0.025 0.000 2.701 553 D HA -0.151 5.340 4.640 1.419 0.000 0.235 553 D C -0.138 176.178 176.300 0.026 0.000 1.155 553 D CA 1.594 55.607 54.000 0.022 0.000 0.649 553 D CB -1.420 39.389 40.800 0.015 0.000 1.050 553 D HN 0.646 nan 8.370 nan 0.000 0.425 554 A N -0.996 121.845 122.820 0.035 0.000 2.572 554 A HA 0.848 6.019 4.320 1.419 0.000 0.295 554 A C 0.443 178.059 177.584 0.052 0.000 1.072 554 A CA 0.012 52.075 52.037 0.042 0.000 0.691 554 A CB 2.108 21.131 19.000 0.039 0.000 1.291 554 A HN 0.274 nan 8.150 nan 0.000 0.404 555 G N -1.155 107.684 108.800 0.064 0.000 3.262 555 G HA2 0.438 5.250 3.960 1.419 0.000 0.229 555 G HA3 0.438 5.250 3.960 1.419 0.000 0.229 555 G C 0.365 175.334 174.900 0.115 0.000 1.280 555 G CA 0.161 45.310 45.100 0.082 0.000 0.951 555 G HN 0.918 nan 8.290 nan 0.000 0.589 556 H N -0.452 118.642 119.070 0.040 0.000 2.421 556 H HA 0.269 5.679 4.556 1.423 0.000 0.298 556 H C 1.560 176.996 175.328 0.180 0.000 1.087 556 H CA 1.500 57.596 56.048 0.080 0.000 1.330 556 H CB 0.066 29.840 29.762 0.020 0.000 1.388 556 H HN 0.464 nan 8.280 nan 0.000 0.526 557 A N 1.320 124.281 122.820 0.236 0.000 2.341 557 A HA 0.332 5.503 4.320 1.419 0.000 0.326 557 A C -0.572 177.081 177.584 0.115 0.000 1.402 557 A CA -0.584 51.565 52.037 0.186 0.000 0.957 557 A CB -0.198 18.932 19.000 0.216 0.000 1.151 557 A HN 0.240 nan 8.150 nan 0.000 0.533 558 I N 3.489 124.095 120.570 0.059 0.000 2.396 558 I HA 0.095 5.116 4.170 1.419 0.000 0.289 558 I C 0.573 176.727 176.117 0.061 0.000 1.056 558 I CA 0.034 61.352 61.300 0.030 0.000 1.365 558 I CB 0.638 38.607 38.000 -0.051 0.000 1.407 558 I HN 0.842 nan 8.210 nan 0.000 0.509 559 N N 3.283 122.038 118.700 0.092 0.000 2.170 559 N HA 0.000 5.592 4.740 1.419 0.000 0.222 559 N C -0.008 175.603 175.510 0.170 0.000 1.218 559 N CA -0.289 52.844 53.050 0.138 0.000 0.889 559 N CB 0.579 39.119 38.487 0.087 0.000 1.083 559 N HN 0.571 nan 8.380 nan 0.000 0.520 560 T N -3.494 111.157 114.554 0.162 0.000 2.907 560 T HA 0.358 5.560 4.350 1.419 0.000 0.292 560 T C 1.071 175.910 174.700 0.232 0.000 1.043 560 T CA -0.849 61.334 62.100 0.139 0.000 1.003 560 T CB 2.090 70.981 68.868 0.039 0.000 1.084 560 T HN -0.001 nan 8.240 nan 0.000 0.483 561 M N 1.021 120.794 119.600 0.287 0.000 2.080 561 M HA -0.108 5.224 4.480 1.419 0.000 0.260 561 M C 2.004 178.343 176.300 0.066 0.000 1.068 561 M CA 1.967 57.413 55.300 0.243 0.000 1.109 561 M CB -0.448 32.289 32.600 0.228 0.000 1.342 561 M HN 0.877 nan 8.290 nan 0.000 0.405 562 E N 0.417 120.642 120.200 0.041 0.000 2.070 562 E HA -0.241 4.960 4.350 1.419 0.000 0.197 562 E C 1.683 178.278 176.600 -0.009 0.000 1.004 562 E CA 1.793 58.196 56.400 0.005 0.000 0.805 562 E CB -0.219 29.483 29.700 0.003 0.000 0.744 562 E HN 0.595 nan 8.360 nan 0.000 0.451 563 D N 0.109 120.511 120.400 0.004 0.000 2.144 563 D HA -0.126 5.365 4.640 1.419 0.000 0.199 563 D C 1.859 178.133 176.300 -0.043 0.000 0.984 563 D CA 1.231 55.227 54.000 -0.008 0.000 0.834 563 D CB -0.282 40.525 40.800 0.010 0.000 0.955 563 D HN 0.190 nan 8.370 nan 0.000 0.465 564 A N 0.532 123.318 122.820 -0.057 0.000 1.933 564 A HA -0.129 5.042 4.320 1.419 0.000 0.218 564 A C 2.503 179.997 177.584 -0.151 0.000 1.175 564 A CA 1.132 53.084 52.037 -0.141 0.000 0.628 564 A CB -0.591 18.303 19.000 -0.176 0.000 0.814 564 A HN 0.157 nan 8.150 nan 0.000 0.444 565 V N -0.173 119.676 119.914 -0.107 0.000 2.379 565 V HA -0.203 4.768 4.120 1.419 0.000 0.245 565 V C 2.370 178.384 176.094 -0.134 0.000 1.044 565 V CA 2.172 64.399 62.300 -0.122 0.000 1.036 565 V CB -0.583 31.184 31.823 -0.093 0.000 0.664 565 V HN 0.526 nan 8.190 nan 0.000 0.453 566 K N -0.369 119.973 120.400 -0.097 0.000 2.147 566 K HA -0.120 5.051 4.320 1.419 0.000 0.205 566 K C 1.979 178.527 176.600 -0.086 0.000 1.049 566 K CA 1.150 57.383 56.287 -0.090 0.000 0.936 566 K CB -0.138 32.336 32.500 -0.043 0.000 0.722 566 K HN 0.281 nan 8.250 nan 0.000 0.446 567 I N 0.404 120.932 120.570 -0.070 0.000 2.277 567 I HA -0.165 4.857 4.170 1.419 0.000 0.243 567 I C 2.096 178.199 176.117 -0.022 0.000 1.094 567 I CA 0.975 62.258 61.300 -0.028 0.000 1.393 567 I CB -0.585 37.387 38.000 -0.045 0.000 1.078 567 I HN 0.138 nan 8.210 nan 0.000 0.417 568 L N -0.056 121.113 121.223 -0.089 0.000 2.168 568 L HA 0.003 5.194 4.340 1.419 0.000 0.203 568 L C 2.151 178.958 176.870 -0.103 0.000 1.078 568 L CA 1.341 56.142 54.840 -0.065 0.000 0.780 568 L CB -0.917 41.035 42.059 -0.179 0.000 0.939 568 L HN 0.048 nan 8.230 nan 0.000 0.451 569 L N 0.737 121.838 121.223 -0.205 0.000 2.042 569 L HA -0.073 5.119 4.340 1.419 0.000 0.210 569 L C -0.658 175.967 176.870 -0.409 0.000 1.076 569 L CA 2.065 56.682 54.840 -0.372 0.000 0.749 569 L CB -1.701 40.061 42.059 -0.495 0.000 0.893 569 L HN 0.202 nan 8.230 nan 0.000 0.432 570 P HA -0.069 nan 4.420 nan 0.000 0.221 570 P C 1.423 178.728 177.300 0.009 0.000 1.150 570 P CA 1.553 64.504 63.100 -0.247 0.000 0.800 570 P CB -0.152 31.159 31.700 -0.648 0.000 0.787 571 A N -0.082 122.739 122.820 0.001 0.000 1.845 571 A HA -0.140 5.032 4.320 1.419 0.000 0.215 571 A C 2.337 179.992 177.584 0.117 0.000 1.195 571 A CA 2.003 54.081 52.037 0.067 0.000 0.616 571 A CB -1.663 17.361 19.000 0.041 0.000 0.832 571 A HN 0.036 nan 8.150 nan 0.000 0.443 572 V N -0.906 119.056 119.914 0.080 0.000 2.343 572 V HA -0.211 4.760 4.120 1.419 0.000 0.247 572 V C 2.366 178.643 176.094 0.305 0.000 1.051 572 V CA 1.810 64.184 62.300 0.123 0.000 1.036 572 V CB -1.055 30.839 31.823 0.119 0.000 0.654 572 V HN 0.489 nan 8.190 nan 0.000 0.451 573 F N -0.184 119.838 119.950 0.120 0.000 2.126 573 F HA -0.169 5.205 4.527 1.412 0.000 0.299 573 F C 2.239 178.161 175.800 0.203 0.000 1.096 573 F CA 1.309 59.423 58.000 0.191 0.000 1.255 573 F CB -1.122 38.024 39.000 0.244 0.000 0.997 573 F HN 0.235 nan 8.300 nan 0.000 0.479 574 F N 0.205 120.308 119.950 0.255 0.000 2.146 574 F HA -0.135 5.248 4.527 1.427 0.000 0.298 574 F C 2.070 177.900 175.800 0.051 0.000 1.096 574 F CA 1.405 59.499 58.000 0.156 0.000 1.275 574 F CB -0.529 38.555 39.000 0.139 0.000 1.008 574 F HN -0.142 nan 8.300 nan 0.000 0.480 575 L N -0.128 121.104 121.223 0.015 0.000 2.141 575 L HA -0.146 5.046 4.340 1.419 0.000 0.209 575 L C 2.747 179.545 176.870 -0.120 0.000 1.094 575 L CA 1.034 55.691 54.840 -0.304 0.000 0.763 575 L CB -1.043 40.667 42.059 -0.581 0.000 0.908 575 L HN 0.259 nan 8.230 nan 0.000 0.437 576 A N -0.695 122.167 122.820 0.069 0.000 1.898 576 A HA -0.165 5.007 4.320 1.419 0.000 0.216 576 A C 2.356 179.886 177.584 -0.090 0.000 1.181 576 A CA 2.092 54.162 52.037 0.054 0.000 0.620 576 A CB -0.780 18.207 19.000 -0.023 0.000 0.819 576 A HN 0.323 nan 8.150 nan 0.000 0.442 577 T N -0.074 114.420 114.554 -0.099 0.000 2.788 577 T HA -0.129 5.073 4.350 1.419 0.000 0.268 577 T C 2.050 176.673 174.700 -0.128 0.000 1.044 577 T CA 1.469 63.513 62.100 -0.093 0.000 1.139 577 T CB -0.206 68.648 68.868 -0.023 0.000 0.867 577 T HN 0.422 nan 8.240 nan 0.000 0.454 578 Q N 0.558 120.219 119.800 -0.231 0.000 2.224 578 Q HA 0.006 5.198 4.340 1.419 0.000 0.203 578 Q C 2.370 178.391 176.000 0.035 0.000 0.970 578 Q CA 0.893 56.605 55.803 -0.150 0.000 0.865 578 Q CB -0.243 28.346 28.738 -0.248 0.000 0.922 578 Q HN 0.475 nan 8.270 nan 0.000 0.445 579 R N 1.056 121.566 120.500 0.016 0.000 2.115 579 R HA -0.105 5.086 4.340 1.419 0.000 0.230 579 R C 1.678 177.991 176.300 0.022 0.000 1.111 579 R CA 0.968 57.121 56.100 0.088 0.000 0.976 579 R CB 0.161 30.467 30.300 0.011 0.000 0.870 579 R HN 0.269 nan 8.270 nan 0.000 0.445 580 E N 0.016 120.200 120.200 -0.025 0.000 2.160 580 E HA -0.166 5.035 4.350 1.419 0.000 0.195 580 E C 0.402 177.000 176.600 -0.004 0.000 0.991 580 E CA 0.685 57.068 56.400 -0.028 0.000 0.810 580 E CB 0.072 29.748 29.700 -0.039 0.000 0.742 580 E HN 0.138 nan 8.360 nan 0.000 0.466 581 R N 0.000 120.506 120.500 0.010 0.000 2.786 581 R HA 0.000 5.191 4.340 1.419 0.000 0.208 581 R CA 0.000 56.115 56.100 0.025 0.000 0.921 581 R CB 0.000 30.311 30.300 0.019 0.000 0.687 581 R HN 0.000 nan 8.270 nan 0.000 0.535