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 1yve_1_K DATA FIRST_RESID 86 DATA SEQUENCE FDFDSSVFKK EKVTLSGHDE YIVRGGRNLF PLLPDAFKGI KQIGVIGWGS DATA SEQUENCE QAPAQAQNLK DSLTEAKSDV VVKIGLRKGS NSFAEARAAG FSEENGTLGD DATA SEQUENCE MWETISGSDL VLLLISDSAQ ADNYEKVFSH MKPNSILGLS HGFLLGHLQS DATA SEQUENCE LGQDFPKNIS VIAVCPKGMG PSVRRLYVQG KEVNGAGINS SFAVHQDVDG DATA SEQUENCE RATDVALGWS IALGSPFTFA TTLEQEYKSD IFGERGILLG AVHGIVECLF DATA SEQUENCE RRYTESGMSE DLAYKNTVEC ITGVISKTIS TKGMLALYNS LSEEGKKDFQ DATA SEQUENCE AAYSASYYPS MDILYECYED VASGSEIRSV VLAGRRFYEK EGLPAFPMGK DATA SEQUENCE IDQTRMWKVG EKVRSVRPAG DLGPLYPFTA GVYVALMMAQ IEILRKKGHS DATA SEQUENCE YSEIINESVI EAVDSLNPFM HARGVSFMVD NCSTTARLGS RKWAPRFDYI DATA SEQUENCE LSQQALVAVD NGAPINQDLI SNFLSDPVHE AIGVCAQLRP SVDISVTADA DATA SEQUENCE DFVRPELRQA 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 86 F HA 0.000 nan 4.527 nan 0.000 0.279 86 F C 0.000 175.887 175.800 0.145 0.000 0.967 86 F CA 0.000 58.042 58.000 0.069 0.000 1.383 86 F CB 0.000 39.012 39.000 0.020 0.000 1.145 87 D N 4.874 125.340 120.400 0.110 0.000 2.383 87 D HA 0.339 4.979 4.640 -0.001 0.000 0.252 87 D C -0.054 176.174 176.300 -0.121 0.000 1.166 87 D CA 0.850 54.799 54.000 -0.085 0.000 0.879 87 D CB 0.512 41.277 40.800 -0.058 0.000 1.164 87 D HN 0.293 nan 8.370 nan 0.000 0.462 88 F N -0.583 119.156 119.950 -0.352 0.000 2.561 88 F HA 0.643 5.170 4.527 -0.001 0.000 0.321 88 F C -0.639 175.115 175.800 -0.077 0.000 1.065 88 F CA -1.028 56.827 58.000 -0.241 0.000 0.934 88 F CB 1.765 40.557 39.000 -0.345 0.000 1.215 88 F HN -0.079 nan 8.300 nan 0.000 0.471 89 D N 1.488 121.964 120.400 0.126 0.000 2.863 89 D HA 0.250 4.889 4.640 -0.001 0.000 0.245 89 D C -1.458 174.959 176.300 0.196 0.000 1.211 89 D CA -0.240 53.778 54.000 0.031 0.000 0.888 89 D CB 2.340 43.137 40.800 -0.005 0.000 1.483 89 D HN 0.627 nan 8.370 nan 0.000 0.533 90 S N 0.416 116.228 115.700 0.186 0.000 2.549 90 S HA 0.391 4.861 4.470 -0.001 0.000 0.297 90 S C 0.784 175.445 174.600 0.101 0.000 1.115 90 S CA -0.386 57.945 58.200 0.218 0.000 1.059 90 S CB 1.420 64.816 63.200 0.327 0.000 1.046 90 S HN 0.275 nan 8.310 nan 0.000 0.506 91 S N 2.590 118.327 115.700 0.061 0.000 2.492 91 S HA 0.085 4.554 4.470 -0.001 0.000 0.218 91 S C 1.337 175.893 174.600 -0.074 0.000 1.016 91 S CA 0.082 58.282 58.200 -0.000 0.000 0.916 91 S CB 0.242 63.443 63.200 0.002 0.000 0.791 91 S HN 0.558 nan 8.310 nan 0.000 0.513 92 V N 0.438 120.252 119.914 -0.166 0.000 2.922 92 V HA 0.322 4.442 4.120 -0.001 0.000 0.242 92 V C 0.019 175.803 176.094 -0.517 0.000 1.094 92 V CA 0.692 62.729 62.300 -0.439 0.000 1.106 92 V CB -0.167 31.200 31.823 -0.759 0.000 0.799 92 V HN 0.284 nan 8.190 nan 0.000 0.474 93 F N 0.172 120.140 119.950 0.031 0.000 2.483 93 F HA 0.513 5.040 4.527 -0.001 0.000 0.329 93 F C 0.294 176.131 175.800 0.061 0.000 1.064 93 F CA -1.188 56.835 58.000 0.038 0.000 0.986 93 F CB 0.917 39.934 39.000 0.028 0.000 1.218 93 F HN -0.256 nan 8.300 nan 0.000 0.484 94 K N 2.379 122.946 120.400 0.280 0.000 2.276 94 K HA 0.228 4.548 4.320 -0.001 0.000 0.285 94 K C -0.587 176.135 176.600 0.205 0.000 1.062 94 K CA -0.499 55.897 56.287 0.182 0.000 0.918 94 K CB 0.790 33.368 32.500 0.131 0.000 1.055 94 K HN 0.676 nan 8.250 nan 0.000 0.477 95 K N 3.516 124.029 120.400 0.187 0.000 2.118 95 K HA 0.117 4.436 4.320 -0.001 0.000 0.267 95 K C -0.998 175.722 176.600 0.199 0.000 0.991 95 K CA -0.447 55.979 56.287 0.232 0.000 0.916 95 K CB 0.860 33.413 32.500 0.089 0.000 1.041 95 K HN 0.748 nan 8.250 nan 0.000 0.455 96 E N 2.559 122.886 120.200 0.212 0.000 2.331 96 E HA 0.234 4.583 4.350 -0.001 0.000 0.275 96 E C -1.538 175.030 176.600 -0.054 0.000 0.895 96 E CA -1.165 55.292 56.400 0.096 0.000 0.753 96 E CB 1.693 31.420 29.700 0.044 0.000 1.216 96 E HN 0.343 nan 8.360 nan 0.000 0.434 97 K N 1.998 122.260 120.400 -0.231 0.000 2.249 97 K HA 0.341 4.661 4.320 -0.001 0.000 0.280 97 K C -0.568 175.839 176.600 -0.322 0.000 1.033 97 K CA -0.599 55.342 56.287 -0.578 0.000 0.946 97 K CB 1.161 33.333 32.500 -0.547 0.000 1.005 97 K HN 0.496 nan 8.250 nan 0.000 0.469 98 V N 0.340 120.062 119.914 -0.320 0.000 2.656 98 V HA 0.497 4.617 4.120 -0.001 0.000 0.307 98 V C -0.738 175.255 176.094 -0.168 0.000 1.051 98 V CA -0.710 61.468 62.300 -0.203 0.000 0.893 98 V CB 1.809 33.521 31.823 -0.186 0.000 0.999 98 V HN 0.710 nan 8.190 nan 0.000 0.426 99 T N 6.463 120.937 114.554 -0.133 0.000 2.788 99 T HA 0.620 4.970 4.350 -0.001 0.000 0.296 99 T C -0.325 174.316 174.700 -0.098 0.000 1.009 99 T CA -0.123 61.917 62.100 -0.100 0.000 0.949 99 T CB 0.588 69.395 68.868 -0.101 0.000 0.946 99 T HN 0.642 nan 8.240 nan 0.000 0.453 100 L N 3.178 124.369 121.223 -0.052 0.000 2.301 100 L HA 0.426 4.765 4.340 -0.001 0.000 0.278 100 L C 0.799 177.608 176.870 -0.102 0.000 1.022 100 L CA -0.734 54.043 54.840 -0.105 0.000 0.854 100 L CB 1.280 43.315 42.059 -0.040 0.000 1.226 100 L HN 0.858 nan 8.230 nan 0.000 0.429 101 S N 3.065 118.635 115.700 -0.217 0.000 3.608 101 S HA -0.196 4.274 4.470 -0.001 0.000 0.382 101 S C 1.243 175.646 174.600 -0.329 0.000 0.945 101 S CA 1.038 59.111 58.200 -0.212 0.000 1.256 101 S CB -1.054 62.014 63.200 -0.221 0.000 0.913 101 S HN 1.398 nan 8.310 nan 0.000 0.518 102 G N 0.910 109.541 108.800 -0.282 0.000 2.189 102 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.267 102 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.267 102 G C -0.244 174.426 174.900 -0.384 0.000 0.975 102 G CA 0.772 45.670 45.100 -0.337 0.000 0.644 102 G HN 1.140 nan 8.290 nan 0.000 0.537 103 H N 1.277 120.370 119.070 0.038 0.000 2.541 103 H HA 0.507 5.063 4.556 -0.001 0.000 0.316 103 H C -0.731 174.618 175.328 0.036 0.000 1.043 103 H CA -0.886 55.204 56.048 0.070 0.000 1.232 103 H CB 1.038 30.890 29.762 0.150 0.000 1.406 103 H HN 0.106 nan 8.280 nan 0.000 0.469 104 D N 3.151 123.616 120.400 0.108 0.000 2.304 104 D HA 0.178 4.817 4.640 -0.001 0.000 0.250 104 D C 0.057 176.396 176.300 0.065 0.000 1.107 104 D CA -0.010 54.000 54.000 0.016 0.000 0.885 104 D CB 1.248 42.048 40.800 0.000 0.000 1.192 104 D HN 0.613 nan 8.370 nan 0.000 0.436 105 E N 0.744 120.918 120.200 -0.043 0.000 2.340 105 E HA 0.324 4.674 4.350 -0.001 0.000 0.273 105 E C -1.060 175.485 176.600 -0.092 0.000 0.891 105 E CA -0.814 55.639 56.400 0.090 0.000 0.757 105 E CB 1.610 31.396 29.700 0.143 0.000 1.231 105 E HN 0.269 nan 8.360 nan 0.000 0.439 106 Y N 1.053 121.463 120.300 0.183 0.000 2.342 106 Y HA 0.493 5.043 4.550 -0.001 0.000 0.334 106 Y C -0.154 175.976 175.900 0.383 0.000 1.067 106 Y CA -0.598 57.626 58.100 0.206 0.000 1.128 106 Y CB 0.816 39.315 38.460 0.065 0.000 1.200 106 Y HN 0.359 nan 8.280 nan 0.000 0.464 107 I N 1.670 122.479 120.570 0.399 0.000 3.002 107 I HA 0.576 4.746 4.170 -0.001 0.000 0.310 107 I C -1.176 175.154 176.117 0.354 0.000 1.087 107 I CA -1.030 60.504 61.300 0.390 0.000 1.017 107 I CB 2.443 40.564 38.000 0.202 0.000 1.226 107 I HN 0.240 nan 8.210 nan 0.000 0.443 108 V N 4.361 124.439 119.914 0.274 0.000 2.409 108 V HA 0.482 4.602 4.120 -0.001 0.000 0.290 108 V C 0.065 176.227 176.094 0.112 0.000 1.017 108 V CA -0.837 61.554 62.300 0.153 0.000 0.841 108 V CB 1.418 33.240 31.823 -0.000 0.000 1.003 108 V HN 0.591 nan 8.190 nan 0.000 0.426 109 R N 2.426 122.986 120.500 0.100 0.000 2.543 109 R HA 0.501 4.840 4.340 -0.001 0.000 0.277 109 R C 0.731 177.052 176.300 0.036 0.000 1.074 109 R CA 0.447 56.600 56.100 0.088 0.000 1.076 109 R CB 0.958 31.294 30.300 0.060 0.000 0.993 109 R HN 0.914 nan 8.270 nan 0.000 0.459 110 G N 0.534 109.359 108.800 0.041 0.000 2.531 110 G HA2 0.620 4.579 3.960 -0.001 0.000 0.281 110 G HA3 0.620 4.579 3.960 -0.001 0.000 0.281 110 G C -0.535 174.350 174.900 -0.024 0.000 1.382 110 G CA -0.267 44.834 45.100 0.002 0.000 1.045 110 G HN 0.863 nan 8.290 nan 0.000 0.533 111 G N -1.963 106.791 108.800 -0.076 0.000 2.397 111 G HA2 0.086 4.045 3.960 -0.001 0.000 0.453 111 G HA3 0.086 4.045 3.960 -0.001 0.000 0.453 111 G C 0.276 174.917 174.900 -0.431 0.000 1.579 111 G CA -0.402 44.593 45.100 -0.175 0.000 0.906 111 G HN 0.619 nan 8.290 nan 0.000 0.675 112 R N 0.846 120.970 120.500 -0.627 0.000 2.193 112 R HA -0.109 4.231 4.340 -0.001 0.000 0.229 112 R C 2.435 178.283 176.300 -0.754 0.000 1.110 112 R CA 1.361 56.723 56.100 -1.229 0.000 0.988 112 R CB -0.089 29.753 30.300 -0.765 0.000 0.871 112 R HN 0.681 nan 8.270 nan 0.000 0.458 113 N N 1.308 119.794 118.700 -0.356 0.000 2.443 113 N HA -0.172 4.568 4.740 -0.001 0.000 0.184 113 N C 1.368 176.830 175.510 -0.081 0.000 1.037 113 N CA 1.099 54.052 53.050 -0.162 0.000 0.896 113 N CB -0.182 38.249 38.487 -0.093 0.000 0.959 113 N HN 0.311 nan 8.380 nan 0.000 0.442 114 L N -0.817 120.350 121.223 -0.093 0.000 2.558 114 L HA 0.155 4.495 4.340 -0.001 0.000 0.225 114 L C 1.428 178.470 176.870 0.288 0.000 1.128 114 L CA -0.126 54.782 54.840 0.113 0.000 0.868 114 L CB -0.334 41.824 42.059 0.166 0.000 1.006 114 L HN -0.146 nan 8.230 nan 0.000 0.454 115 F N 0.919 120.921 119.950 0.087 0.000 2.161 115 F HA -0.075 4.451 4.527 -0.001 0.000 0.300 115 F C -0.113 175.727 175.800 0.066 0.000 1.089 115 F CA 0.392 58.443 58.000 0.085 0.000 1.282 115 F CB -2.267 36.786 39.000 0.088 0.000 1.010 115 F HN 0.111 nan 8.300 nan 0.000 0.485 116 P HA -0.112 nan 4.420 nan 0.000 0.228 116 P C 1.627 178.974 177.300 0.080 0.000 1.151 116 P CA 1.182 64.360 63.100 0.130 0.000 0.770 116 P CB -0.100 31.653 31.700 0.089 0.000 0.786 117 L N -2.165 119.112 121.223 0.089 0.000 2.558 117 L HA 0.025 4.365 4.340 -0.001 0.000 0.225 117 L C 2.036 178.872 176.870 -0.058 0.000 1.128 117 L CA 0.201 55.028 54.840 -0.022 0.000 0.868 117 L CB -0.565 41.444 42.059 -0.083 0.000 1.006 117 L HN -0.001 nan 8.230 nan 0.000 0.454 118 L N 0.452 121.679 121.223 0.006 0.000 2.012 118 L HA -0.174 4.165 4.340 -0.001 0.000 0.210 118 L C -0.105 176.662 176.870 -0.173 0.000 1.073 118 L CA 1.677 56.411 54.840 -0.177 0.000 0.748 118 L CB -1.762 40.214 42.059 -0.137 0.000 0.891 118 L HN 0.238 nan 8.230 nan 0.000 0.431 119 P HA -0.174 nan 4.420 nan 0.000 0.216 119 P C 1.038 178.354 177.300 0.026 0.000 1.150 119 P CA 1.421 64.554 63.100 0.054 0.000 0.837 119 P CB 0.056 31.788 31.700 0.053 0.000 0.786 120 D N -1.026 119.348 120.400 -0.043 0.000 2.149 120 D HA -0.075 4.565 4.640 -0.001 0.000 0.201 120 D C 1.919 178.175 176.300 -0.073 0.000 0.972 120 D CA 1.246 55.207 54.000 -0.064 0.000 0.835 120 D CB -0.519 40.206 40.800 -0.125 0.000 0.966 120 D HN -0.046 nan 8.370 nan 0.000 0.476 121 A N -0.186 122.546 122.820 -0.147 0.000 1.898 121 A HA -0.093 4.227 4.320 -0.001 0.000 0.216 121 A C 1.138 178.781 177.584 0.099 0.000 1.181 121 A CA 0.640 52.618 52.037 -0.097 0.000 0.620 121 A CB -0.672 18.247 19.000 -0.135 0.000 0.819 121 A HN 0.202 nan 8.150 nan 0.000 0.442 122 F N 1.962 121.962 119.950 0.084 0.000 2.913 122 F HA 0.162 4.688 4.527 -0.001 0.000 0.293 122 F C 0.785 176.610 175.800 0.042 0.000 1.223 122 F CA -1.071 56.967 58.000 0.065 0.000 1.393 122 F CB -0.754 38.278 39.000 0.054 0.000 1.102 122 F HN 0.256 nan 8.300 nan 0.000 0.524 123 K N -0.750 119.774 120.400 0.206 0.000 2.472 123 K HA 0.285 4.604 4.320 -0.001 0.000 0.280 123 K C 1.141 177.805 176.600 0.107 0.000 1.028 123 K CA 0.693 57.053 56.287 0.123 0.000 1.045 123 K CB 0.055 32.607 32.500 0.087 0.000 0.902 123 K HN 0.446 nan 8.250 nan 0.000 0.478 124 G N 2.896 111.743 108.800 0.078 0.000 2.148 124 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.254 124 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.254 124 G C -0.005 174.917 174.900 0.036 0.000 0.981 124 G CA 0.089 45.220 45.100 0.052 0.000 0.670 124 G HN 0.680 nan 8.290 nan 0.000 0.528 125 I N 0.232 120.827 120.570 0.042 0.000 2.330 125 I HA 0.340 4.510 4.170 -0.001 0.000 0.289 125 I C 0.961 177.066 176.117 -0.020 0.000 1.001 125 I CA -0.879 60.407 61.300 -0.022 0.000 1.193 125 I CB 1.487 39.422 38.000 -0.108 0.000 1.345 125 I HN -0.154 nan 8.210 nan 0.000 0.461 126 K N 3.934 124.315 120.400 -0.031 0.000 2.287 126 K HA 0.172 4.491 4.320 -0.001 0.000 0.199 126 K C 0.332 176.907 176.600 -0.042 0.000 1.061 126 K CA 0.646 56.921 56.287 -0.019 0.000 0.976 126 K CB 0.556 33.053 32.500 -0.005 0.000 0.898 126 K HN 0.588 nan 8.250 nan 0.000 0.492 127 Q N 0.620 120.380 119.800 -0.067 0.000 2.305 127 Q HA 0.396 4.736 4.340 -0.001 0.000 0.271 127 Q C -1.481 174.437 176.000 -0.137 0.000 1.046 127 Q CA -0.325 55.429 55.803 -0.081 0.000 0.798 127 Q CB 1.751 30.460 28.738 -0.048 0.000 1.286 127 Q HN 0.008 nan 8.270 nan 0.000 0.435 128 I N 2.901 123.366 120.570 -0.174 0.000 2.321 128 I HA 0.420 4.590 4.170 -0.001 0.000 0.291 128 I C 0.402 176.405 176.117 -0.191 0.000 0.998 128 I CA -0.728 60.425 61.300 -0.245 0.000 1.227 128 I CB 1.690 39.488 38.000 -0.336 0.000 1.368 128 I HN 0.733 nan 8.210 nan 0.000 0.466 129 G N 6.157 114.848 108.800 -0.183 0.000 2.329 129 G HA2 0.482 4.442 3.960 -0.001 0.000 0.309 129 G HA3 0.482 4.442 3.960 -0.001 0.000 0.309 129 G C -0.521 174.266 174.900 -0.188 0.000 1.110 129 G CA -0.272 44.735 45.100 -0.154 0.000 0.923 129 G HN 0.365 nan 8.290 nan 0.000 0.430 130 V N 5.070 124.870 119.914 -0.189 0.000 2.334 130 V HA 0.206 4.325 4.120 -0.001 0.000 0.267 130 V C -0.125 175.871 176.094 -0.163 0.000 1.040 130 V CA -0.799 61.388 62.300 -0.188 0.000 0.866 130 V CB 0.838 32.544 31.823 -0.194 0.000 1.019 130 V HN 0.509 nan 8.190 nan 0.000 0.468 131 I N 4.762 125.241 120.570 -0.152 0.000 2.315 131 I HA 0.772 4.942 4.170 -0.001 0.000 0.291 131 I C 0.791 176.829 176.117 -0.132 0.000 1.006 131 I CA 0.317 61.519 61.300 -0.164 0.000 1.265 131 I CB 0.273 38.169 38.000 -0.173 0.000 1.387 131 I HN 0.837 nan 8.210 nan 0.000 0.475 132 G N 6.322 115.046 108.800 -0.127 0.000 2.541 132 G HA2 -0.097 3.862 3.960 -0.001 0.000 0.686 132 G HA3 -0.097 3.862 3.960 -0.001 0.000 0.686 132 G C -1.196 173.737 174.900 0.055 0.000 1.286 132 G CA -0.633 44.423 45.100 -0.073 0.000 0.894 132 G HN 0.738 nan 8.290 nan 0.000 0.575 133 W N 1.848 123.035 121.300 -0.188 0.000 1.086 133 W HA 0.451 5.110 4.660 -0.001 0.000 0.321 133 W C 0.440 176.884 176.519 -0.125 0.000 0.919 133 W CA 0.143 57.385 57.345 -0.172 0.000 1.252 133 W CB 0.257 29.596 29.460 -0.200 0.000 1.343 133 W HN 1.144 nan 8.180 nan 0.000 0.461 134 G N 0.611 109.287 108.800 -0.206 0.000 2.992 134 G HA2 0.060 4.020 3.960 -0.001 0.000 0.201 134 G HA3 0.060 4.020 3.960 -0.001 0.000 0.201 134 G C 0.856 175.589 174.900 -0.277 0.000 2.057 134 G CA 1.050 46.039 45.100 -0.184 0.000 0.800 134 G HN 0.145 nan 8.290 nan 0.000 0.700 135 S N -1.657 113.900 115.700 -0.240 0.000 2.506 135 S HA 0.062 4.531 4.470 -0.001 0.000 0.230 135 S C 2.186 176.631 174.600 -0.258 0.000 1.066 135 S CA 0.716 58.769 58.200 -0.246 0.000 0.940 135 S CB -0.155 62.920 63.200 -0.207 0.000 0.818 135 S HN 0.268 nan 8.310 nan 0.000 0.518 136 Q N 1.061 120.729 119.800 -0.221 0.000 2.096 136 Q HA 0.221 4.561 4.340 -0.001 0.000 0.197 136 Q C 2.449 178.311 176.000 -0.230 0.000 0.964 136 Q CA 1.286 56.979 55.803 -0.184 0.000 0.838 136 Q CB -0.775 27.896 28.738 -0.112 0.000 0.906 136 Q HN 0.606 nan 8.270 nan 0.000 0.444 137 A N 1.857 124.504 122.820 -0.288 0.000 1.883 137 A HA -0.149 4.170 4.320 -0.001 0.000 0.217 137 A C -0.440 176.783 177.584 -0.601 0.000 1.186 137 A CA 1.506 53.336 52.037 -0.346 0.000 0.624 137 A CB -1.589 17.249 19.000 -0.270 0.000 0.822 137 A HN 0.260 nan 8.150 nan 0.000 0.444 138 P HA -0.101 nan 4.420 nan 0.000 0.216 138 P C 1.733 178.770 177.300 -0.439 0.000 1.150 138 P CA 1.888 64.263 63.100 -1.209 0.000 0.837 138 P CB -0.083 30.895 31.700 -1.202 0.000 0.786 139 A N -0.247 122.387 122.820 -0.311 0.000 1.855 139 A HA -0.234 4.086 4.320 -0.001 0.000 0.215 139 A C 2.262 179.765 177.584 -0.135 0.000 1.191 139 A CA 1.482 53.421 52.037 -0.163 0.000 0.613 139 A CB -1.370 17.550 19.000 -0.133 0.000 0.829 139 A HN 0.147 nan 8.150 nan 0.000 0.442 140 Q N -0.583 119.145 119.800 -0.121 0.000 2.084 140 Q HA -0.138 4.201 4.340 -0.001 0.000 0.202 140 Q C 2.419 178.383 176.000 -0.060 0.000 0.978 140 Q CA 1.385 57.158 55.803 -0.050 0.000 0.844 140 Q CB -0.400 28.363 28.738 0.043 0.000 0.898 140 Q HN 0.676 nan 8.270 nan 0.000 0.426 141 A N 1.113 123.882 122.820 -0.086 0.000 1.902 141 A HA -0.245 4.075 4.320 -0.001 0.000 0.217 141 A C 1.989 179.669 177.584 0.160 0.000 1.181 141 A CA 1.476 53.500 52.037 -0.023 0.000 0.623 141 A CB -0.419 18.483 19.000 -0.163 0.000 0.818 141 A HN 0.343 nan 8.150 nan 0.000 0.443 142 Q N -0.615 119.274 119.800 0.149 0.000 2.083 142 Q HA -0.142 4.198 4.340 -0.001 0.000 0.198 142 Q C 1.906 177.867 176.000 -0.065 0.000 0.969 142 Q CA 1.390 57.278 55.803 0.143 0.000 0.838 142 Q CB -0.210 28.605 28.738 0.129 0.000 0.900 142 Q HN 0.624 nan 8.270 nan 0.000 0.436 143 N N 0.737 119.290 118.700 -0.245 0.000 2.120 143 N HA -0.124 4.616 4.740 -0.001 0.000 0.188 143 N C 1.737 177.015 175.510 -0.387 0.000 1.024 143 N CA 0.977 53.637 53.050 -0.650 0.000 0.852 143 N CB -0.247 37.810 38.487 -0.717 0.000 1.003 143 N HN 0.152 nan 8.380 nan 0.000 0.424 144 L N 0.878 122.007 121.223 -0.158 0.000 2.017 144 L HA -0.150 4.190 4.340 -0.001 0.000 0.208 144 L C 2.405 179.254 176.870 -0.036 0.000 1.073 144 L CA 1.243 56.045 54.840 -0.063 0.000 0.745 144 L CB -0.321 41.723 42.059 -0.025 0.000 0.894 144 L HN 0.173 nan 8.230 nan 0.000 0.432 145 K N -0.061 120.348 120.400 0.016 0.000 2.032 145 K HA -0.228 4.092 4.320 -0.001 0.000 0.209 145 K C 1.707 178.321 176.600 0.023 0.000 1.048 145 K CA 1.953 58.268 56.287 0.048 0.000 0.927 145 K CB -0.019 32.543 32.500 0.103 0.000 0.712 145 K HN 0.232 nan 8.250 nan 0.000 0.441 146 D N -0.079 120.332 120.400 0.017 0.000 2.097 146 D HA -0.102 4.538 4.640 -0.001 0.000 0.195 146 D C 1.999 178.353 176.300 0.091 0.000 0.989 146 D CA 1.257 55.318 54.000 0.102 0.000 0.827 146 D CB -0.244 40.705 40.800 0.249 0.000 0.966 146 D HN 0.128 nan 8.370 nan 0.000 0.456 147 S N 0.140 115.811 115.700 -0.050 0.000 2.368 147 S HA -0.040 4.430 4.470 -0.001 0.000 0.224 147 S C 2.185 176.654 174.600 -0.218 0.000 1.029 147 S CA 0.453 58.418 58.200 -0.391 0.000 0.988 147 S CB -0.164 62.523 63.200 -0.855 0.000 0.838 147 S HN 0.227 nan 8.310 nan 0.000 0.462 148 L N 0.936 122.115 121.223 -0.073 0.000 2.093 148 L HA -0.102 4.237 4.340 -0.001 0.000 0.208 148 L C 2.674 179.571 176.870 0.045 0.000 1.085 148 L CA 1.076 55.930 54.840 0.024 0.000 0.755 148 L CB -1.009 41.090 42.059 0.067 0.000 0.904 148 L HN 0.291 nan 8.230 nan 0.000 0.435 149 T N -0.937 113.644 114.554 0.045 0.000 2.708 149 T HA -0.231 4.119 4.350 -0.001 0.000 0.266 149 T C 1.769 176.517 174.700 0.081 0.000 1.037 149 T CA 1.613 63.748 62.100 0.059 0.000 1.146 149 T CB -0.071 68.831 68.868 0.057 0.000 0.865 149 T HN 0.252 nan 8.240 nan 0.000 0.435 150 E N 1.428 121.694 120.200 0.110 0.000 2.058 150 E HA -0.068 4.282 4.350 -0.001 0.000 0.194 150 E C 2.019 178.713 176.600 0.157 0.000 0.997 150 E CA 1.362 57.862 56.400 0.166 0.000 0.801 150 E CB -0.418 29.466 29.700 0.307 0.000 0.746 150 E HN 0.445 nan 8.360 nan 0.000 0.450 151 A N 0.013 122.917 122.820 0.140 0.000 2.239 151 A HA -0.024 4.295 4.320 -0.001 0.000 0.209 151 A C 0.175 177.815 177.584 0.093 0.000 1.171 151 A CA 0.741 52.856 52.037 0.130 0.000 0.768 151 A CB -0.211 18.860 19.000 0.118 0.000 0.790 151 A HN 0.164 nan 8.150 nan 0.000 0.478 152 K N -0.101 120.347 120.400 0.081 0.000 3.096 152 K HA -0.138 4.182 4.320 -0.001 0.000 0.266 152 K C 0.161 176.799 176.600 0.063 0.000 1.043 152 K CA 1.077 57.403 56.287 0.065 0.000 0.758 152 K CB -2.616 29.918 32.500 0.058 0.000 1.260 152 K HN 0.638 nan 8.250 nan 0.000 0.481 153 S N -0.025 115.718 115.700 0.072 0.000 2.610 153 S HA 0.271 4.740 4.470 -0.001 0.000 0.273 153 S C 0.891 175.530 174.600 0.065 0.000 1.274 153 S CA -0.541 57.708 58.200 0.080 0.000 1.023 153 S CB 1.067 64.337 63.200 0.116 0.000 0.962 153 S HN 0.177 nan 8.310 nan 0.000 0.523 154 D N 1.665 122.102 120.400 0.062 0.000 2.348 154 D HA 0.095 4.735 4.640 -0.001 0.000 0.211 154 D C 0.220 176.543 176.300 0.038 0.000 0.998 154 D CA 0.328 54.355 54.000 0.045 0.000 0.873 154 D CB 0.081 40.905 40.800 0.040 0.000 0.925 154 D HN 0.329 nan 8.370 nan 0.000 0.524 155 V N 1.747 121.690 119.914 0.048 0.000 2.617 155 V HA -0.061 4.059 4.120 -0.001 0.000 0.304 155 V C 0.626 176.722 176.094 0.004 0.000 1.040 155 V CA 0.074 62.383 62.300 0.014 0.000 1.149 155 V CB 1.300 33.125 31.823 0.003 0.000 0.914 155 V HN -0.178 nan 8.190 nan 0.000 0.487 156 V N 6.182 126.089 119.914 -0.012 0.000 2.439 156 V HA 0.315 4.435 4.120 -0.001 0.000 0.282 156 V C 0.062 176.148 176.094 -0.013 0.000 1.039 156 V CA -0.515 61.787 62.300 0.003 0.000 0.913 156 V CB 1.794 33.621 31.823 0.008 0.000 0.983 156 V HN 0.592 nan 8.190 nan 0.000 0.460 157 V N 5.568 125.502 119.914 0.032 0.000 2.333 157 V HA 0.390 4.510 4.120 -0.001 0.000 0.274 157 V C 0.104 176.237 176.094 0.065 0.000 1.028 157 V CA -0.520 61.795 62.300 0.026 0.000 0.851 157 V CB 1.172 33.048 31.823 0.088 0.000 1.000 157 V HN 0.851 nan 8.190 nan 0.000 0.456 158 K N 5.509 125.892 120.400 -0.028 0.000 2.292 158 K HA 0.560 4.879 4.320 -0.001 0.000 0.257 158 K C -0.970 175.550 176.600 -0.133 0.000 0.940 158 K CA -0.787 55.479 56.287 -0.035 0.000 0.811 158 K CB 1.328 33.813 32.500 -0.024 0.000 1.120 158 K HN 0.435 nan 8.250 nan 0.000 0.428 159 I N 3.125 123.582 120.570 -0.187 0.000 2.395 159 I HA 0.281 4.451 4.170 -0.001 0.000 0.289 159 I C 0.707 176.696 176.117 -0.213 0.000 1.023 159 I CA -0.344 60.800 61.300 -0.259 0.000 1.350 159 I CB 0.800 38.549 38.000 -0.418 0.000 1.409 159 I HN 0.751 nan 8.210 nan 0.000 0.507 160 G N 7.121 115.787 108.800 -0.223 0.000 2.478 160 G HA2 0.705 4.664 3.960 -0.001 0.000 0.317 160 G HA3 0.705 4.664 3.960 -0.001 0.000 0.317 160 G C -0.947 173.760 174.900 -0.321 0.000 1.259 160 G CA -0.391 44.567 45.100 -0.236 0.000 0.933 160 G HN 0.451 nan 8.290 nan 0.000 0.478 161 L N 1.179 122.169 121.223 -0.388 0.000 2.354 161 L HA 0.583 4.922 4.340 -0.001 0.000 0.264 161 L C 0.585 177.286 176.870 -0.283 0.000 1.008 161 L CA -1.181 53.387 54.840 -0.453 0.000 0.819 161 L CB 2.598 44.136 42.059 -0.868 0.000 1.339 161 L HN 0.517 nan 8.230 nan 0.000 0.420 162 R N 1.026 121.386 120.500 -0.235 0.000 2.679 162 R HA 0.035 4.374 4.340 -0.001 0.000 0.268 162 R C 0.904 177.237 176.300 0.055 0.000 1.044 162 R CA 0.081 56.105 56.100 -0.125 0.000 1.105 162 R CB 0.672 30.909 30.300 -0.104 0.000 0.989 162 R HN 0.573 nan 8.270 nan 0.000 0.447 163 K N 2.272 122.727 120.400 0.092 0.000 2.023 163 K HA -0.223 4.097 4.320 -0.001 0.000 0.227 163 K C 1.161 177.847 176.600 0.144 0.000 1.054 163 K CA 1.968 58.334 56.287 0.130 0.000 0.977 163 K CB -0.426 32.130 32.500 0.092 0.000 0.733 163 K HN 0.767 nan 8.250 nan 0.000 0.451 164 G N 1.367 110.224 108.800 0.095 0.000 3.943 164 G HA2 0.138 4.097 3.960 -0.001 0.000 0.275 164 G HA3 0.138 4.097 3.960 -0.001 0.000 0.275 164 G C -0.688 174.273 174.900 0.101 0.000 1.234 164 G CA -0.401 44.747 45.100 0.081 0.000 1.522 164 G HN 0.130 nan 8.290 nan 0.000 0.636 165 S N 0.109 115.919 115.700 0.184 0.000 2.525 165 S HA 0.217 4.686 4.470 -0.001 0.000 0.278 165 S C 1.163 175.862 174.600 0.166 0.000 1.234 165 S CA -0.831 57.443 58.200 0.124 0.000 1.058 165 S CB 0.699 63.884 63.200 -0.024 0.000 0.983 165 S HN 0.386 nan 8.310 nan 0.000 0.495 166 N N 2.801 121.547 118.700 0.077 0.000 2.398 166 N HA 0.026 4.766 4.740 -0.001 0.000 0.188 166 N C 0.749 176.282 175.510 0.039 0.000 1.122 166 N CA 0.252 53.344 53.050 0.069 0.000 0.866 166 N CB 0.199 38.714 38.487 0.047 0.000 0.970 166 N HN 0.463 nan 8.380 nan 0.000 0.462 167 S N 0.208 115.891 115.700 -0.028 0.000 2.603 167 S HA 0.117 4.587 4.470 -0.001 0.000 0.220 167 S C 1.332 175.745 174.600 -0.312 0.000 0.967 167 S CA -0.119 58.001 58.200 -0.135 0.000 0.920 167 S CB -0.148 62.988 63.200 -0.106 0.000 0.773 167 S HN 0.204 nan 8.310 nan 0.000 0.529 168 F N 2.555 122.392 119.950 -0.189 0.000 2.095 168 F HA -0.157 4.370 4.527 -0.001 0.000 0.298 168 F C 2.598 178.273 175.800 -0.208 0.000 1.104 168 F CA 1.156 59.030 58.000 -0.211 0.000 1.232 168 F CB -0.773 38.148 39.000 -0.133 0.000 0.987 168 F HN 0.237 nan 8.300 nan 0.000 0.475 169 A N -0.539 122.316 122.820 0.058 0.000 1.972 169 A HA -0.166 4.154 4.320 -0.001 0.000 0.219 169 A C 2.188 179.746 177.584 -0.042 0.000 1.169 169 A CA 1.620 53.662 52.037 0.009 0.000 0.635 169 A CB -0.519 18.495 19.000 0.024 0.000 0.810 169 A HN 0.288 nan 8.150 nan 0.000 0.446 170 E N -0.122 120.023 120.200 -0.093 0.000 2.072 170 E HA -0.094 4.255 4.350 -0.001 0.000 0.191 170 E C 2.371 178.824 176.600 -0.244 0.000 0.985 170 E CA 1.175 57.541 56.400 -0.057 0.000 0.801 170 E CB -0.539 29.211 29.700 0.083 0.000 0.750 170 E HN 0.565 nan 8.360 nan 0.000 0.452 171 A N 1.515 123.888 122.820 -0.745 0.000 1.933 171 A HA -0.186 4.133 4.320 -0.001 0.000 0.218 171 A C 2.166 179.620 177.584 -0.215 0.000 1.175 171 A CA 1.262 52.709 52.037 -0.983 0.000 0.628 171 A CB -0.383 17.941 19.000 -1.126 0.000 0.814 171 A HN 0.109 nan 8.150 nan 0.000 0.444 172 R N -0.564 119.862 120.500 -0.122 0.000 2.073 172 R HA -0.073 4.267 4.340 -0.001 0.000 0.234 172 R C 2.467 178.770 176.300 0.005 0.000 1.134 172 R CA 1.216 57.304 56.100 -0.019 0.000 0.952 172 R CB -0.522 29.775 30.300 -0.005 0.000 0.850 172 R HN 0.492 nan 8.270 nan 0.000 0.433 173 A N 1.252 124.085 122.820 0.022 0.000 2.024 173 A HA -0.084 4.236 4.320 -0.001 0.000 0.220 173 A C 2.176 179.815 177.584 0.090 0.000 1.164 173 A CA 1.655 53.726 52.037 0.056 0.000 0.643 173 A CB -0.385 18.661 19.000 0.077 0.000 0.806 173 A HN 0.401 nan 8.150 nan 0.000 0.451 174 A N -2.048 120.864 122.820 0.153 0.000 2.238 174 A HA 0.421 4.741 4.320 -0.001 0.000 0.208 174 A C 1.674 179.260 177.584 0.004 0.000 1.177 174 A CA 1.187 53.366 52.037 0.237 0.000 0.804 174 A CB -0.720 18.643 19.000 0.605 0.000 0.823 174 A HN 1.840 nan 8.150 nan 0.000 0.482 175 G N -2.200 106.542 108.800 -0.098 0.000 2.148 175 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.203 175 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.203 175 G C -0.201 174.412 174.900 -0.478 0.000 0.993 175 G CA -0.099 44.820 45.100 -0.302 0.000 0.661 175 G HN 0.332 nan 8.290 nan 0.000 0.518 176 F N 2.160 122.081 119.950 -0.049 0.000 2.426 176 F HA 0.709 5.236 4.527 -0.001 0.000 0.348 176 F C 0.701 176.456 175.800 -0.075 0.000 1.124 176 F CA -0.195 57.764 58.000 -0.070 0.000 1.008 176 F CB 2.152 41.077 39.000 -0.126 0.000 1.139 176 F HN 0.348 nan 8.300 nan 0.000 0.452 177 S N 0.925 116.683 115.700 0.097 0.000 2.651 177 S HA 0.495 4.965 4.470 -0.001 0.000 0.279 177 S C 0.271 174.906 174.600 0.058 0.000 1.148 177 S CA -0.858 57.379 58.200 0.061 0.000 0.837 177 S CB 1.892 65.103 63.200 0.019 0.000 1.138 177 S HN 0.457 nan 8.310 nan 0.000 0.478 178 E N 0.967 121.193 120.200 0.042 0.000 2.106 178 E HA -0.047 4.303 4.350 -0.001 0.000 0.192 178 E C 1.606 178.215 176.600 0.015 0.000 0.984 178 E CA 1.506 57.923 56.400 0.028 0.000 0.806 178 E CB -0.209 29.490 29.700 -0.001 0.000 0.750 178 E HN 0.758 nan 8.360 nan 0.000 0.458 179 E N 0.602 120.806 120.200 0.007 0.000 2.070 179 E HA -0.220 4.130 4.350 -0.001 0.000 0.197 179 E C 1.248 177.851 176.600 0.006 0.000 1.004 179 E CA 1.591 57.992 56.400 0.001 0.000 0.805 179 E CB -0.358 29.339 29.700 -0.004 0.000 0.744 179 E HN 0.436 nan 8.360 nan 0.000 0.451 180 N N -0.604 118.101 118.700 0.009 0.000 2.383 180 N HA 0.114 4.854 4.740 -0.001 0.000 0.192 180 N C 0.777 176.301 175.510 0.022 0.000 1.141 180 N CA 0.536 53.592 53.050 0.010 0.000 0.851 180 N CB 0.865 39.352 38.487 0.000 0.000 0.976 180 N HN 0.176 nan 8.380 nan 0.000 0.465 181 G N 0.218 109.035 108.800 0.028 0.000 2.221 181 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.265 181 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.265 181 G C 0.586 175.516 174.900 0.050 0.000 1.041 181 G CA 0.828 45.949 45.100 0.034 0.000 0.807 181 G HN 0.608 nan 8.290 nan 0.000 0.502 182 T N -3.247 111.354 114.554 0.078 0.000 3.132 182 T HA 0.619 4.969 4.350 -0.001 0.000 0.274 182 T C 0.062 174.843 174.700 0.136 0.000 1.011 182 T CA 0.340 62.520 62.100 0.135 0.000 0.899 182 T CB 0.791 69.793 68.868 0.222 0.000 1.089 182 T HN 1.175 nan 8.240 nan 0.000 0.543 183 L N 0.700 121.973 121.223 0.085 0.000 2.505 183 L HA 0.851 5.191 4.340 -0.001 0.000 0.266 183 L C -0.434 176.496 176.870 0.100 0.000 0.954 183 L CA -0.231 54.645 54.840 0.059 0.000 0.852 183 L CB 1.557 43.673 42.059 0.095 0.000 1.282 183 L HN 0.316 nan 8.230 nan 0.000 0.403 184 G N 2.495 111.350 108.800 0.091 0.000 2.634 184 G HA2 0.307 4.266 3.960 -0.001 0.000 0.309 184 G HA3 0.307 4.266 3.960 -0.001 0.000 0.309 184 G C -1.736 173.247 174.900 0.138 0.000 1.299 184 G CA -0.530 44.655 45.100 0.142 0.000 0.798 184 G HN 0.667 nan 8.290 nan 0.000 0.490 185 D N -0.304 120.164 120.400 0.114 0.000 2.424 185 D HA 0.187 4.826 4.640 -0.001 0.000 0.244 185 D C 1.815 178.065 176.300 -0.083 0.000 1.134 185 D CA -0.026 54.015 54.000 0.068 0.000 0.881 185 D CB 1.011 41.861 40.800 0.083 0.000 1.191 185 D HN 0.429 nan 8.370 nan 0.000 0.445 186 M N 3.344 122.794 119.600 -0.250 0.000 2.073 186 M HA -0.169 4.311 4.480 -0.001 0.000 0.258 186 M C 1.042 177.058 176.300 -0.474 0.000 1.070 186 M CA 1.682 56.693 55.300 -0.482 0.000 1.103 186 M CB -0.079 32.036 32.600 -0.808 0.000 1.321 186 M HN 0.671 nan 8.290 nan 0.000 0.405 187 W N 0.359 121.557 121.300 -0.170 0.000 2.381 187 W HA -0.132 4.528 4.660 -0.001 0.000 0.301 187 W C 2.414 178.827 176.519 -0.175 0.000 1.205 187 W CA 1.194 58.330 57.345 -0.349 0.000 1.285 187 W CB -0.476 28.672 29.460 -0.520 0.000 1.133 187 W HN 0.402 nan 8.180 nan 0.000 0.521 188 E N 0.315 120.594 120.200 0.132 0.000 2.106 188 E HA -0.183 4.167 4.350 -0.001 0.000 0.192 188 E C 1.670 178.312 176.600 0.070 0.000 0.984 188 E CA 1.930 58.402 56.400 0.120 0.000 0.806 188 E CB -0.322 29.436 29.700 0.096 0.000 0.750 188 E HN 0.114 nan 8.360 nan 0.000 0.458 189 T N 1.507 116.066 114.554 0.008 0.000 2.737 189 T HA -0.090 4.259 4.350 -0.001 0.000 0.265 189 T C 1.956 176.653 174.700 -0.006 0.000 1.038 189 T CA 1.412 63.498 62.100 -0.023 0.000 1.144 189 T CB -0.189 68.630 68.868 -0.081 0.000 0.866 189 T HN 0.193 nan 8.240 nan 0.000 0.434 190 I N 1.347 121.919 120.570 0.004 0.000 2.163 190 I HA -0.192 3.977 4.170 -0.001 0.000 0.243 190 I C 2.670 178.864 176.117 0.128 0.000 1.085 190 I CA 1.040 62.379 61.300 0.065 0.000 1.347 190 I CB -0.439 37.639 38.000 0.129 0.000 1.044 190 I HN 0.197 nan 8.210 nan 0.000 0.408 191 S N 0.621 116.432 115.700 0.185 0.000 2.383 191 S HA -0.138 4.332 4.470 -0.001 0.000 0.229 191 S C 1.857 176.518 174.600 0.102 0.000 1.030 191 S CA 1.481 59.793 58.200 0.187 0.000 1.002 191 S CB -0.562 62.778 63.200 0.234 0.000 0.829 191 S HN 0.656 nan 8.310 nan 0.000 0.467 192 G N 0.599 109.442 108.800 0.072 0.000 3.284 192 G HA2 0.313 4.272 3.960 -0.001 0.000 0.236 192 G HA3 0.313 4.272 3.960 -0.001 0.000 0.236 192 G C -0.006 174.903 174.900 0.014 0.000 1.158 192 G CA -0.289 44.835 45.100 0.040 0.000 0.774 192 G HN 0.363 nan 8.290 nan 0.000 0.545 193 S N 0.408 116.113 115.700 0.009 0.000 2.541 193 S HA 0.292 4.761 4.470 -0.001 0.000 0.283 193 S C 0.268 174.850 174.600 -0.029 0.000 1.196 193 S CA -0.661 57.523 58.200 -0.028 0.000 1.062 193 S CB 1.901 65.070 63.200 -0.050 0.000 1.009 193 S HN 0.202 nan 8.310 nan 0.000 0.502 194 D N 0.514 120.879 120.400 -0.058 0.000 2.277 194 D HA 0.092 4.732 4.640 -0.001 0.000 0.209 194 D C 0.005 176.257 176.300 -0.081 0.000 0.970 194 D CA 0.550 54.517 54.000 -0.054 0.000 0.874 194 D CB 0.226 40.993 40.800 -0.054 0.000 0.982 194 D HN 0.218 nan 8.370 nan 0.000 0.504 195 L N 1.227 122.365 121.223 -0.142 0.000 2.404 195 L HA 0.336 4.676 4.340 -0.001 0.000 0.272 195 L C -1.351 175.393 176.870 -0.211 0.000 0.980 195 L CA -0.743 53.979 54.840 -0.196 0.000 0.836 195 L CB 2.183 44.050 42.059 -0.320 0.000 1.238 195 L HN -0.363 nan 8.230 nan 0.000 0.408 196 V N 6.597 126.416 119.914 -0.159 0.000 2.328 196 V HA 0.407 4.526 4.120 -0.001 0.000 0.278 196 V C -0.015 175.972 176.094 -0.178 0.000 1.021 196 V CA -0.466 61.754 62.300 -0.133 0.000 0.838 196 V CB 1.363 33.172 31.823 -0.024 0.000 0.999 196 V HN 0.587 nan 8.190 nan 0.000 0.447 197 L N 5.967 127.041 121.223 -0.248 0.000 2.255 197 L HA 0.405 4.745 4.340 -0.001 0.000 0.289 197 L C -0.214 176.597 176.870 -0.099 0.000 1.046 197 L CA -0.621 54.069 54.840 -0.251 0.000 0.816 197 L CB 1.185 43.013 42.059 -0.385 0.000 1.197 197 L HN 0.462 nan 8.230 nan 0.000 0.427 198 L N 6.232 127.450 121.223 -0.008 0.000 2.375 198 L HA 0.218 4.557 4.340 -0.001 0.000 0.276 198 L C 0.065 176.946 176.870 0.017 0.000 1.162 198 L CA 0.499 55.349 54.840 0.017 0.000 0.991 198 L CB -0.097 42.016 42.059 0.090 0.000 1.315 198 L HN 0.526 nan 8.230 nan 0.000 0.431 199 L N 6.477 127.682 121.223 -0.029 0.000 3.048 199 L HA 0.353 4.693 4.340 -0.001 0.000 0.234 199 L C 0.164 176.996 176.870 -0.063 0.000 1.318 199 L CA -0.156 54.663 54.840 -0.036 0.000 1.109 199 L CB -0.482 41.544 42.059 -0.054 0.000 1.480 199 L HN 0.539 nan 8.230 nan 0.000 0.495 200 I N -3.308 117.228 120.570 -0.056 0.000 3.100 200 I HA 0.608 4.778 4.170 -0.001 0.000 0.312 200 I C 0.747 176.825 176.117 -0.065 0.000 1.063 200 I CA -0.812 60.449 61.300 -0.065 0.000 1.031 200 I CB 1.723 39.679 38.000 -0.074 0.000 1.243 200 I HN 0.153 nan 8.210 nan 0.000 0.483 201 S N 1.252 116.916 115.700 -0.061 0.000 2.558 201 S HA -0.013 4.457 4.470 -0.001 0.000 0.291 201 S C 0.586 175.095 174.600 -0.153 0.000 1.306 201 S CA -0.056 58.093 58.200 -0.085 0.000 1.056 201 S CB 0.483 63.667 63.200 -0.027 0.000 0.836 201 S HN 0.743 nan 8.310 nan 0.000 0.504 202 D N 2.326 122.546 120.400 -0.300 0.000 2.117 202 D HA -0.135 4.505 4.640 -0.001 0.000 0.197 202 D C 2.288 178.293 176.300 -0.491 0.000 0.987 202 D CA 1.902 55.543 54.000 -0.598 0.000 0.829 202 D CB -0.550 39.444 40.800 -1.344 0.000 0.961 202 D HN 0.813 nan 8.370 nan 0.000 0.460 203 S N 1.217 116.719 115.700 -0.329 0.000 2.382 203 S HA -0.076 4.393 4.470 -0.001 0.000 0.228 203 S C 2.238 176.794 174.600 -0.074 0.000 1.027 203 S CA 1.107 59.228 58.200 -0.132 0.000 0.991 203 S CB -0.263 62.885 63.200 -0.087 0.000 0.823 203 S HN 0.260 nan 8.310 nan 0.000 0.469 204 A N 1.687 124.475 122.820 -0.053 0.000 1.933 204 A HA -0.102 4.218 4.320 -0.001 0.000 0.218 204 A C 2.354 179.934 177.584 -0.007 0.000 1.175 204 A CA 1.440 53.471 52.037 -0.010 0.000 0.628 204 A CB -0.767 18.234 19.000 0.001 0.000 0.814 204 A HN 0.646 nan 8.150 nan 0.000 0.444 205 Q N -0.608 119.179 119.800 -0.022 0.000 2.050 205 Q HA -0.123 4.216 4.340 -0.001 0.000 0.202 205 Q C 2.451 178.500 176.000 0.082 0.000 0.980 205 Q CA 1.430 57.255 55.803 0.036 0.000 0.840 205 Q CB -0.412 28.351 28.738 0.042 0.000 0.898 205 Q HN 0.679 nan 8.270 nan 0.000 0.424 206 A N 1.319 124.135 122.820 -0.006 0.000 1.940 206 A HA -0.200 4.119 4.320 -0.001 0.000 0.219 206 A C 1.363 178.952 177.584 0.008 0.000 1.176 206 A CA 1.829 53.755 52.037 -0.185 0.000 0.631 206 A CB -0.252 18.369 19.000 -0.633 0.000 0.814 206 A HN 0.219 nan 8.150 nan 0.000 0.446 207 D N -0.803 119.588 120.400 -0.015 0.000 2.339 207 D HA 0.067 4.706 4.640 -0.001 0.000 0.217 207 D C 0.409 176.671 176.300 -0.062 0.000 1.050 207 D CA 0.275 54.265 54.000 -0.015 0.000 0.856 207 D CB 0.058 40.851 40.800 -0.011 0.000 0.922 207 D HN 0.457 nan 8.370 nan 0.000 0.518 208 N N -0.266 118.403 118.700 -0.051 0.000 2.232 208 N HA -0.027 4.713 4.740 -0.001 0.000 0.240 208 N C 0.983 176.413 175.510 -0.132 0.000 1.307 208 N CA -0.036 52.975 53.050 -0.066 0.000 0.859 208 N CB 0.556 39.101 38.487 0.096 0.000 1.260 208 N HN 0.247 nan 8.380 nan 0.000 0.501 209 Y N 1.140 121.325 120.300 -0.191 0.000 2.274 209 Y HA 0.059 4.609 4.550 -0.001 0.000 0.290 209 Y C 1.863 177.351 175.900 -0.686 0.000 1.145 209 Y CA 0.950 58.748 58.100 -0.504 0.000 1.203 209 Y CB -0.512 37.544 38.460 -0.674 0.000 0.984 209 Y HN -0.109 nan 8.280 nan 0.000 0.533 210 E N 0.843 120.508 120.200 -0.892 0.000 2.118 210 E HA -0.172 4.177 4.350 -0.001 0.000 0.195 210 E C 1.855 178.351 176.600 -0.173 0.000 0.992 210 E CA 1.813 57.942 56.400 -0.452 0.000 0.804 210 E CB -0.064 29.378 29.700 -0.431 0.000 0.741 210 E HN 0.492 nan 8.360 nan 0.000 0.458 211 K N -0.184 120.113 120.400 -0.171 0.000 2.103 211 K HA -0.059 4.261 4.320 -0.001 0.000 0.204 211 K C 1.968 178.679 176.600 0.184 0.000 1.052 211 K CA 0.609 56.813 56.287 -0.137 0.000 0.945 211 K CB -0.136 32.099 32.500 -0.442 0.000 0.722 211 K HN -0.047 nan 8.250 nan 0.000 0.443 212 V N 0.652 120.749 119.914 0.304 0.000 2.270 212 V HA -0.213 3.907 4.120 -0.001 0.000 0.245 212 V C 1.886 178.279 176.094 0.497 0.000 1.043 212 V CA 1.593 64.170 62.300 0.461 0.000 1.014 212 V CB -0.492 31.512 31.823 0.301 0.000 0.645 212 V HN 0.135 nan 8.190 nan 0.000 0.447 213 F N 1.551 121.658 119.950 0.262 0.000 2.126 213 F HA -0.166 4.361 4.527 -0.001 0.000 0.299 213 F C 2.842 178.735 175.800 0.155 0.000 1.096 213 F CA 1.533 59.662 58.000 0.216 0.000 1.255 213 F CB -1.663 37.465 39.000 0.213 0.000 0.997 213 F HN 0.363 nan 8.300 nan 0.000 0.479 214 S N -1.196 114.688 115.700 0.306 0.000 2.507 214 S HA -0.188 4.282 4.470 -0.001 0.000 0.235 214 S C 1.386 175.988 174.600 0.003 0.000 0.988 214 S CA 1.191 59.453 58.200 0.104 0.000 0.944 214 S CB -0.904 62.282 63.200 -0.023 0.000 0.762 214 S HN 0.498 nan 8.310 nan 0.000 0.526 215 H N 0.044 119.205 119.070 0.152 0.000 2.551 215 H HA 0.416 4.972 4.556 -0.001 0.000 0.271 215 H C 0.231 175.646 175.328 0.144 0.000 0.984 215 H CA -0.051 56.087 56.048 0.150 0.000 1.164 215 H CB 0.130 30.036 29.762 0.239 0.000 1.437 215 H HN 0.320 nan 8.280 nan 0.000 0.550 216 M N 1.397 121.138 119.600 0.237 0.000 2.217 216 M HA 0.118 4.598 4.480 -0.001 0.000 0.354 216 M C 0.266 176.625 176.300 0.099 0.000 1.225 216 M CA 0.179 55.578 55.300 0.165 0.000 1.137 216 M CB 0.626 33.320 32.600 0.155 0.000 1.576 216 M HN 0.099 nan 8.290 nan 0.000 0.461 217 K N 3.102 123.547 120.400 0.075 0.000 2.258 217 K HA 0.307 4.626 4.320 -0.001 0.000 0.264 217 K C -2.280 174.342 176.600 0.037 0.000 1.007 217 K CA -1.408 54.908 56.287 0.049 0.000 0.941 217 K CB -0.076 32.448 32.500 0.040 0.000 0.966 217 K HN 0.323 nan 8.250 nan 0.000 0.480 218 P HA -0.021 nan 4.420 nan 0.000 0.268 218 P C -0.376 176.936 177.300 0.020 0.000 1.205 218 P CA 0.346 63.458 63.100 0.021 0.000 0.771 218 P CB 0.345 32.055 31.700 0.017 0.000 0.858 219 N N -0.009 118.701 118.700 0.016 0.000 2.747 219 N HA -0.171 4.569 4.740 -0.001 0.000 0.249 219 N C -0.438 175.082 175.510 0.018 0.000 1.107 219 N CA 1.129 54.189 53.050 0.017 0.000 0.707 219 N CB -1.389 37.109 38.487 0.018 0.000 1.054 219 N HN 0.443 nan 8.380 nan 0.000 0.555 220 S N -0.916 114.794 115.700 0.018 0.000 2.738 220 S HA 0.775 5.244 4.470 -0.001 0.000 0.284 220 S C 0.374 174.980 174.600 0.010 0.000 1.146 220 S CA -0.865 57.343 58.200 0.014 0.000 0.997 220 S CB 1.680 64.893 63.200 0.021 0.000 1.081 220 S HN 0.232 nan 8.310 nan 0.000 0.553 221 I N 1.103 121.672 120.570 -0.000 0.000 2.436 221 I HA 0.362 4.531 4.170 -0.001 0.000 0.289 221 I C -1.193 174.916 176.117 -0.012 0.000 1.010 221 I CA -0.870 60.429 61.300 -0.001 0.000 1.098 221 I CB 1.768 39.773 38.000 0.010 0.000 1.266 221 I HN 0.476 nan 8.210 nan 0.000 0.434 222 L N 6.247 127.469 121.223 -0.002 0.000 2.264 222 L HA 0.729 5.068 4.340 -0.001 0.000 0.289 222 L C 0.133 177.017 176.870 0.023 0.000 1.044 222 L CA 0.222 55.074 54.840 0.021 0.000 0.807 222 L CB 1.077 43.174 42.059 0.063 0.000 1.192 222 L HN 0.638 nan 8.230 nan 0.000 0.425 223 G N 6.268 115.078 108.800 0.016 0.000 2.416 223 G HA2 0.617 4.577 3.960 -0.001 0.000 0.324 223 G HA3 0.617 4.577 3.960 -0.001 0.000 0.324 223 G C -1.169 173.870 174.900 0.232 0.000 1.194 223 G CA -0.569 44.615 45.100 0.140 0.000 0.922 223 G HN 0.621 nan 8.290 nan 0.000 0.467 224 L N 1.013 122.434 121.223 0.330 0.000 2.319 224 L HA 0.509 4.849 4.340 -0.001 0.000 0.267 224 L C 0.795 177.857 176.870 0.321 0.000 1.011 224 L CA -0.881 54.127 54.840 0.279 0.000 0.818 224 L CB 2.378 44.552 42.059 0.191 0.000 1.316 224 L HN 0.481 nan 8.230 nan 0.000 0.432 225 S N -1.419 114.425 115.700 0.240 0.000 2.650 225 S HA 0.199 4.669 4.470 -0.001 0.000 0.240 225 S C -0.775 173.916 174.600 0.152 0.000 1.007 225 S CA -0.106 58.176 58.200 0.137 0.000 0.984 225 S CB -0.262 63.012 63.200 0.122 0.000 0.910 225 S HN 0.587 nan 8.310 nan 0.000 0.509 226 H N -1.200 117.911 119.070 0.069 0.000 3.094 226 H HA 0.456 5.012 4.556 -0.001 0.000 0.346 226 H C 0.421 175.841 175.328 0.152 0.000 1.238 226 H CA -0.346 55.760 56.048 0.095 0.000 1.209 226 H CB 0.761 30.574 29.762 0.086 0.000 1.911 226 H HN -0.021 nan 8.280 nan 0.000 0.540 227 G N 2.180 111.004 108.800 0.041 0.000 3.088 227 G HA2 -0.101 3.859 3.960 -0.001 0.000 0.212 227 G HA3 -0.101 3.859 3.960 -0.001 0.000 0.212 227 G C 1.063 175.911 174.900 -0.088 0.000 1.173 227 G CA 0.146 45.276 45.100 0.050 0.000 0.779 227 G HN 0.507 nan 8.290 nan 0.000 0.540 228 F N 1.145 120.721 119.950 -0.623 0.000 2.087 228 F HA -0.202 4.325 4.527 -0.001 0.000 0.299 228 F C 2.220 177.814 175.800 -0.344 0.000 1.100 228 F CA 1.572 59.221 58.000 -0.584 0.000 1.226 228 F CB -0.111 38.603 39.000 -0.478 0.000 0.983 228 F HN 0.186 nan 8.300 nan 0.000 0.479 229 L N -0.004 121.328 121.223 0.181 0.000 2.079 229 L HA -0.171 4.168 4.340 -0.001 0.000 0.210 229 L C 2.169 178.993 176.870 -0.077 0.000 1.081 229 L CA 1.678 56.590 54.840 0.121 0.000 0.752 229 L CB -1.150 41.030 42.059 0.202 0.000 0.896 229 L HN 0.368 nan 8.230 nan 0.000 0.433 230 L N -0.390 120.815 121.223 -0.029 0.000 2.056 230 L HA 0.023 4.363 4.340 -0.001 0.000 0.207 230 L C 2.346 179.079 176.870 -0.228 0.000 1.078 230 L CA 2.053 56.848 54.840 -0.074 0.000 0.749 230 L CB -1.434 40.661 42.059 0.060 0.000 0.901 230 L HN 0.270 nan 8.230 nan 0.000 0.433 231 G N -1.857 106.630 108.800 -0.522 0.000 2.440 231 G HA2 -0.385 3.575 3.960 -0.001 0.000 0.218 231 G HA3 -0.385 3.575 3.960 -0.001 0.000 0.218 231 G C 1.548 176.153 174.900 -0.492 0.000 1.154 231 G CA 1.085 45.724 45.100 -0.768 0.000 0.767 231 G HN 0.621 nan 8.290 nan 0.000 0.552 232 H N 0.458 119.192 119.070 -0.561 0.000 2.321 232 H HA 0.107 4.663 4.556 -0.001 0.000 0.300 232 H C 2.540 177.681 175.328 -0.311 0.000 1.087 232 H CA 1.376 57.184 56.048 -0.400 0.000 1.319 232 H CB -0.285 29.299 29.762 -0.296 0.000 1.379 232 H HN 0.261 nan 8.280 nan 0.000 0.501 233 L N 0.025 121.008 121.223 -0.399 0.000 2.083 233 L HA -0.221 4.118 4.340 -0.001 0.000 0.209 233 L C 2.575 179.257 176.870 -0.314 0.000 1.083 233 L CA 1.553 56.127 54.840 -0.443 0.000 0.752 233 L CB -0.474 41.284 42.059 -0.501 0.000 0.899 233 L HN 0.447 nan 8.230 nan 0.000 0.433 234 Q N -0.409 119.244 119.800 -0.245 0.000 2.135 234 Q HA -0.206 4.134 4.340 -0.001 0.000 0.204 234 Q C 2.398 178.297 176.000 -0.168 0.000 0.981 234 Q CA 1.889 57.601 55.803 -0.153 0.000 0.856 234 Q CB -0.209 28.477 28.738 -0.086 0.000 0.902 234 Q HN 0.601 nan 8.270 nan 0.000 0.425 235 S N 0.161 115.716 115.700 -0.241 0.000 2.447 235 S HA -0.065 4.404 4.470 -0.001 0.000 0.233 235 S C 1.617 176.092 174.600 -0.208 0.000 1.006 235 S CA 0.746 58.815 58.200 -0.219 0.000 0.957 235 S CB -0.103 62.942 63.200 -0.258 0.000 0.773 235 S HN 0.336 nan 8.310 nan 0.000 0.507 236 L N 0.535 121.608 121.223 -0.250 0.000 2.640 236 L HA 0.400 4.740 4.340 -0.001 0.000 0.230 236 L C 1.563 178.367 176.870 -0.110 0.000 1.123 236 L CA 0.176 54.911 54.840 -0.175 0.000 0.900 236 L CB -0.356 41.585 42.059 -0.196 0.000 1.146 236 L HN 0.516 nan 8.230 nan 0.000 0.484 237 G N 0.765 109.500 108.800 -0.109 0.000 2.198 237 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.257 237 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.257 237 G C 0.024 174.889 174.900 -0.058 0.000 1.042 237 G CA 0.163 45.222 45.100 -0.067 0.000 0.791 237 G HN 0.463 nan 8.290 nan 0.000 0.502 238 Q N -1.013 118.732 119.800 -0.092 0.000 2.418 238 Q HA 0.739 5.078 4.340 -0.001 0.000 0.276 238 Q C -0.695 175.246 176.000 -0.099 0.000 1.081 238 Q CA -0.980 54.777 55.803 -0.077 0.000 0.864 238 Q CB 1.798 30.489 28.738 -0.079 0.000 1.384 238 Q HN 0.204 nan 8.270 nan 0.000 0.467 239 D N -1.065 119.293 120.400 -0.070 0.000 2.652 239 D HA 0.405 5.044 4.640 -0.001 0.000 0.285 239 D C -1.320 174.919 176.300 -0.101 0.000 1.173 239 D CA -0.616 53.353 54.000 -0.052 0.000 0.981 239 D CB 1.137 41.997 40.800 0.100 0.000 1.440 239 D HN 0.202 nan 8.370 nan 0.000 0.485 240 F N 0.543 120.507 119.950 0.024 0.000 2.403 240 F HA 0.338 4.865 4.527 -0.000 0.000 0.320 240 F C -1.355 174.322 175.800 -0.205 0.000 1.176 240 F CA -1.081 56.806 58.000 -0.188 0.000 1.206 240 F CB -0.023 38.882 39.000 -0.159 0.000 1.235 240 F HN 0.041 nan 8.300 nan 0.000 0.565 241 P HA 0.014 nan 4.420 nan 0.000 0.269 241 P C -0.194 177.091 177.300 -0.025 0.000 1.215 241 P CA -0.182 62.868 63.100 -0.083 0.000 0.780 241 P CB 0.505 32.127 31.700 -0.131 0.000 0.898 242 K N 1.573 121.973 120.400 -0.001 0.000 2.520 242 K HA 0.054 4.373 4.320 -0.001 0.000 0.205 242 K C 0.533 177.131 176.600 -0.003 0.000 1.035 242 K CA 0.396 56.684 56.287 0.001 0.000 1.188 242 K CB -0.869 31.636 32.500 0.008 0.000 0.894 242 K HN 0.624 nan 8.250 nan 0.000 0.497 243 N N -0.104 118.592 118.700 -0.007 0.000 2.197 243 N HA 0.112 4.852 4.740 -0.001 0.000 0.228 243 N C 0.253 175.761 175.510 -0.004 0.000 1.212 243 N CA -0.259 52.790 53.050 -0.001 0.000 0.883 243 N CB 0.325 38.816 38.487 0.006 0.000 1.107 243 N HN 0.051 nan 8.380 nan 0.000 0.519 244 I N -3.616 116.944 120.570 -0.018 0.000 3.074 244 I HA 0.617 4.786 4.170 -0.001 0.000 0.310 244 I C -0.930 175.169 176.117 -0.029 0.000 1.153 244 I CA -1.093 60.196 61.300 -0.019 0.000 0.993 244 I CB 2.226 40.209 38.000 -0.029 0.000 1.237 244 I HN -0.223 nan 8.210 nan 0.000 0.443 245 S N 1.789 117.477 115.700 -0.021 0.000 2.616 245 S HA 0.719 5.188 4.470 -0.001 0.000 0.277 245 S C -0.492 174.072 174.600 -0.060 0.000 1.234 245 S CA -0.562 57.624 58.200 -0.024 0.000 1.028 245 S CB 1.839 65.049 63.200 0.015 0.000 0.988 245 S HN 0.441 nan 8.310 nan 0.000 0.522 246 V N 3.824 123.682 119.914 -0.092 0.000 2.524 246 V HA 0.530 4.649 4.120 -0.001 0.000 0.297 246 V C -0.313 175.735 176.094 -0.077 0.000 1.035 246 V CA -0.580 61.611 62.300 -0.182 0.000 0.867 246 V CB 0.914 32.434 31.823 -0.505 0.000 1.004 246 V HN 0.833 nan 8.190 nan 0.000 0.426 247 I N 1.829 122.403 120.570 0.008 0.000 3.239 247 I HA 1.101 5.270 4.170 -0.001 0.000 0.314 247 I C -0.411 175.798 176.117 0.154 0.000 1.126 247 I CA -1.080 60.282 61.300 0.105 0.000 0.973 247 I CB 2.552 40.687 38.000 0.226 0.000 1.252 247 I HN 0.615 nan 8.210 nan 0.000 0.463 248 A N 2.092 124.996 122.820 0.140 0.000 2.520 248 A HA 0.780 5.100 4.320 -0.001 0.000 0.298 248 A C -1.575 175.941 177.584 -0.113 0.000 1.051 248 A CA -0.562 51.524 52.037 0.081 0.000 0.690 248 A CB 2.009 21.021 19.000 0.020 0.000 1.281 248 A HN 0.567 nan 8.150 nan 0.000 0.402 249 V N 1.311 120.927 119.914 -0.498 0.000 2.447 249 V HA 0.337 4.457 4.120 -0.001 0.000 0.292 249 V C -0.888 174.867 176.094 -0.566 0.000 1.021 249 V CA -0.463 61.364 62.300 -0.788 0.000 0.850 249 V CB 1.171 31.934 31.823 -1.766 0.000 1.005 249 V HN 1.015 nan 8.190 nan 0.000 0.426 250 C N 6.928 126.024 119.300 -0.341 0.000 2.294 250 C HA 0.443 4.903 4.460 -0.001 0.000 0.319 250 C C -2.429 172.434 174.990 -0.212 0.000 1.164 250 C CA -1.765 57.127 59.018 -0.211 0.000 1.497 250 C CB 0.617 28.294 27.740 -0.105 0.000 2.061 250 C HN 0.570 nan 8.230 nan 0.000 0.438 251 P HA 0.056 nan 4.420 nan 0.000 0.267 251 P C 0.016 177.250 177.300 -0.109 0.000 1.209 251 P CA 0.318 63.326 63.100 -0.153 0.000 0.763 251 P CB 0.476 32.100 31.700 -0.128 0.000 0.816 252 K N 3.193 123.545 120.400 -0.080 0.000 2.751 252 K HA 0.487 4.806 4.320 -0.001 0.000 0.252 252 K C 0.531 177.108 176.600 -0.038 0.000 1.277 252 K CA 0.004 56.272 56.287 -0.032 0.000 1.226 252 K CB -0.164 32.360 32.500 0.041 0.000 1.658 252 K HN 0.702 nan 8.250 nan 0.000 0.303 253 G N 0.780 109.540 108.800 -0.066 0.000 2.387 253 G HA2 0.226 4.186 3.960 -0.001 0.000 0.294 253 G HA3 0.226 4.186 3.960 -0.001 0.000 0.294 253 G C -0.648 174.183 174.900 -0.115 0.000 1.509 253 G CA -1.122 43.936 45.100 -0.070 0.000 0.806 253 G HN 0.296 nan 8.290 nan 0.000 0.546 254 M N 1.071 120.573 119.600 -0.163 0.000 2.245 254 M HA 0.571 5.051 4.480 -0.001 0.000 0.330 254 M C 1.470 177.648 176.300 -0.203 0.000 1.098 254 M CA 0.681 55.840 55.300 -0.235 0.000 1.172 254 M CB 0.767 33.130 32.600 -0.396 0.000 1.467 254 M HN 0.820 nan 8.290 nan 0.000 0.454 255 G N 1.389 110.067 108.800 -0.203 0.000 2.529 255 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.219 255 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.219 255 G C -1.003 173.824 174.900 -0.123 0.000 1.177 255 G CA 0.890 45.890 45.100 -0.167 0.000 0.773 255 G HN 0.711 nan 8.290 nan 0.000 0.573 256 P HA -0.085 nan 4.420 nan 0.000 0.219 256 P C 2.309 179.705 177.300 0.158 0.000 1.146 256 P CA 2.000 65.147 63.100 0.078 0.000 0.808 256 P CB -0.104 31.646 31.700 0.082 0.000 0.779 257 S N -1.779 113.953 115.700 0.053 0.000 2.414 257 S HA -0.066 4.403 4.470 -0.001 0.000 0.227 257 S C 1.942 176.571 174.600 0.048 0.000 1.022 257 S CA 0.818 59.101 58.200 0.138 0.000 0.958 257 S CB -1.550 61.736 63.200 0.143 0.000 0.797 257 S HN -0.060 nan 8.310 nan 0.000 0.493 258 V N 2.182 122.094 119.914 -0.002 0.000 2.343 258 V HA -0.123 3.996 4.120 -0.001 0.000 0.247 258 V C 2.985 179.089 176.094 0.016 0.000 1.051 258 V CA 2.205 64.503 62.300 -0.003 0.000 1.036 258 V CB -0.815 30.981 31.823 -0.045 0.000 0.654 258 V HN 0.460 nan 8.190 nan 0.000 0.451 259 R N 0.617 121.111 120.500 -0.011 0.000 2.057 259 R HA -0.095 4.245 4.340 -0.001 0.000 0.229 259 R C 2.304 178.588 176.300 -0.027 0.000 1.136 259 R CA 1.650 57.743 56.100 -0.013 0.000 0.952 259 R CB -0.728 29.560 30.300 -0.020 0.000 0.848 259 R HN 0.335 nan 8.270 nan 0.000 0.430 260 R N 0.461 120.865 120.500 -0.161 0.000 2.094 260 R HA -0.049 4.291 4.340 -0.001 0.000 0.239 260 R C 2.231 178.462 176.300 -0.115 0.000 1.137 260 R CA 2.052 57.954 56.100 -0.329 0.000 0.943 260 R CB -1.031 28.930 30.300 -0.564 0.000 0.850 260 R HN 0.373 nan 8.270 nan 0.000 0.433 261 L N -0.764 120.447 121.223 -0.021 0.000 2.083 261 L HA -0.193 4.147 4.340 -0.001 0.000 0.209 261 L C 2.257 179.166 176.870 0.064 0.000 1.083 261 L CA 1.574 56.428 54.840 0.023 0.000 0.752 261 L CB -0.557 41.530 42.059 0.048 0.000 0.899 261 L HN 0.288 nan 8.230 nan 0.000 0.433 262 Y N -0.203 120.090 120.300 -0.012 0.000 2.181 262 Y HA -0.231 4.319 4.550 -0.001 0.000 0.288 262 Y C 2.349 178.260 175.900 0.019 0.000 1.146 262 Y CA 1.584 59.699 58.100 0.025 0.000 1.164 262 Y CB -0.185 38.300 38.460 0.043 0.000 0.982 262 Y HN -0.148 nan 8.280 nan 0.000 0.515 263 V N 0.703 120.719 119.914 0.170 0.000 2.343 263 V HA -0.339 3.781 4.120 -0.001 0.000 0.247 263 V C 2.088 178.166 176.094 -0.026 0.000 1.051 263 V CA 2.381 64.724 62.300 0.070 0.000 1.036 263 V CB -0.647 31.202 31.823 0.044 0.000 0.654 263 V HN 0.478 nan 8.190 nan 0.000 0.451 264 Q N -0.175 119.602 119.800 -0.038 0.000 2.369 264 Q HA -0.040 4.300 4.340 -0.001 0.000 0.206 264 Q C 2.082 178.047 176.000 -0.058 0.000 0.963 264 Q CA 1.123 56.901 55.803 -0.043 0.000 0.894 264 Q CB -0.234 28.483 28.738 -0.036 0.000 0.965 264 Q HN 0.702 nan 8.270 nan 0.000 0.475 265 G N 0.336 109.080 108.800 -0.094 0.000 3.042 265 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.212 265 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.212 265 G C 1.028 175.833 174.900 -0.159 0.000 1.166 265 G CA -0.248 44.782 45.100 -0.117 0.000 0.767 265 G HN 0.128 nan 8.290 nan 0.000 0.546 266 K N 0.381 120.678 120.400 -0.171 0.000 2.160 266 K HA -0.100 4.220 4.320 -0.001 0.000 0.206 266 K C 1.447 177.992 176.600 -0.093 0.000 1.047 266 K CA 1.151 57.347 56.287 -0.152 0.000 0.930 266 K CB 0.147 32.588 32.500 -0.098 0.000 0.720 266 K HN 0.158 nan 8.250 nan 0.000 0.450 267 E N -0.181 119.978 120.200 -0.069 0.000 2.501 267 E HA -0.006 4.344 4.350 -0.001 0.000 0.201 267 E C 0.717 177.286 176.600 -0.052 0.000 1.016 267 E CA 0.306 56.676 56.400 -0.049 0.000 0.920 267 E CB 1.060 30.743 29.700 -0.030 0.000 1.023 267 E HN 0.180 nan 8.360 nan 0.000 0.474 268 V N -1.664 118.211 119.914 -0.066 0.000 2.988 268 V HA 0.367 4.487 4.120 -0.001 0.000 0.356 268 V C 0.384 176.433 176.094 -0.075 0.000 1.380 268 V CA -0.129 62.135 62.300 -0.058 0.000 1.184 268 V CB -0.358 31.438 31.823 -0.045 0.000 1.204 268 V HN 0.107 nan 8.190 nan 0.000 0.530 269 N N 0.705 119.344 118.700 -0.103 0.000 2.850 269 N HA -0.048 4.692 4.740 -0.001 0.000 0.249 269 N C 0.350 175.758 175.510 -0.169 0.000 1.060 269 N CA 1.686 54.653 53.050 -0.137 0.000 0.825 269 N CB -1.132 37.291 38.487 -0.106 0.000 1.132 269 N HN 2.202 nan 8.380 nan 0.000 0.564 270 G N -2.092 106.610 108.800 -0.162 0.000 2.617 270 G HA2 0.552 4.511 3.960 -0.001 0.000 0.686 270 G HA3 0.552 4.511 3.960 -0.001 0.000 0.686 270 G C -0.759 174.092 174.900 -0.083 0.000 1.214 270 G CA 0.150 45.156 45.100 -0.157 0.000 0.796 270 G HN 1.356 nan 8.290 nan 0.000 0.654 271 A N -0.356 122.431 122.820 -0.056 0.000 2.597 271 A HA 1.278 5.597 4.320 -0.001 0.000 0.292 271 A C 0.451 178.067 177.584 0.053 0.000 1.057 271 A CA 0.945 52.981 52.037 -0.001 0.000 0.674 271 A CB 1.053 20.045 19.000 -0.012 0.000 1.278 271 A HN 3.003 nan 8.150 nan 0.000 0.416 272 G N -0.469 108.371 108.800 0.067 0.000 2.360 272 G HA2 0.497 4.456 3.960 -0.001 0.000 0.276 272 G HA3 0.497 4.456 3.960 -0.001 0.000 0.276 272 G C -1.896 173.034 174.900 0.050 0.000 1.256 272 G CA -0.351 44.803 45.100 0.090 0.000 0.890 272 G HN 0.915 nan 8.290 nan 0.000 0.486 273 I N 1.880 122.464 120.570 0.024 0.000 2.404 273 I HA 0.342 4.512 4.170 -0.001 0.000 0.293 273 I C -0.422 175.651 176.117 -0.074 0.000 0.992 273 I CA -1.068 60.222 61.300 -0.017 0.000 1.149 273 I CB 1.349 39.333 38.000 -0.026 0.000 1.315 273 I HN 0.347 nan 8.210 nan 0.000 0.446 274 N N 3.768 122.395 118.700 -0.122 0.000 2.407 274 N HA 0.125 4.865 4.740 -0.001 0.000 0.250 274 N C -0.339 175.046 175.510 -0.208 0.000 1.236 274 N CA 0.299 53.186 53.050 -0.272 0.000 0.879 274 N CB 0.729 38.914 38.487 -0.503 0.000 1.088 274 N HN 0.484 nan 8.380 nan 0.000 0.450 275 S N -0.470 115.066 115.700 -0.274 0.000 2.570 275 S HA 0.539 5.009 4.470 -0.001 0.000 0.286 275 S C -0.333 173.901 174.600 -0.610 0.000 1.099 275 S CA -0.953 57.045 58.200 -0.336 0.000 0.913 275 S CB 1.472 64.479 63.200 -0.321 0.000 1.085 275 S HN 0.592 nan 8.310 nan 0.000 0.480 276 S N 1.428 116.677 115.700 -0.750 0.000 2.651 276 S HA 0.887 5.357 4.470 -0.001 0.000 0.291 276 S C -0.718 173.666 174.600 -0.360 0.000 1.141 276 S CA -0.702 56.878 58.200 -1.034 0.000 1.027 276 S CB 0.731 63.321 63.200 -1.017 0.000 1.043 276 S HN 0.726 nan 8.310 nan 0.000 0.530 277 F N -0.908 118.800 119.950 -0.403 0.000 2.613 277 F HA 0.956 5.483 4.527 -0.001 0.000 0.314 277 F C -0.765 175.011 175.800 -0.041 0.000 1.075 277 F CA -1.196 56.662 58.000 -0.237 0.000 0.945 277 F CB 1.112 39.964 39.000 -0.246 0.000 1.310 277 F HN 0.946 nan 8.300 nan 0.000 0.467 278 A N 1.554 124.225 122.820 -0.248 0.000 2.556 278 A HA 0.811 5.130 4.320 -0.001 0.000 0.294 278 A C -2.131 175.344 177.584 -0.180 0.000 1.091 278 A CA -0.853 50.953 52.037 -0.386 0.000 0.704 278 A CB 1.881 20.700 19.000 -0.301 0.000 1.300 278 A HN 1.047 nan 8.150 nan 0.000 0.406 279 V N 1.953 121.669 119.914 -0.329 0.000 2.398 279 V HA 0.231 4.351 4.120 -0.001 0.000 0.282 279 V C 0.586 176.583 176.094 -0.162 0.000 1.014 279 V CA -0.056 62.195 62.300 -0.082 0.000 0.838 279 V CB 0.729 32.629 31.823 0.128 0.000 1.018 279 V HN 1.141 nan 8.190 nan 0.000 0.432 280 H N 3.494 122.444 119.070 -0.201 0.000 2.355 280 H HA 0.232 4.788 4.556 -0.001 0.000 0.303 280 H C 0.768 176.018 175.328 -0.131 0.000 1.061 280 H CA 1.611 57.543 56.048 -0.193 0.000 1.368 280 H CB 0.567 30.186 29.762 -0.238 0.000 1.412 280 H HN 0.614 nan 8.280 nan 0.000 0.523 281 Q N -0.140 119.568 119.800 -0.153 0.000 2.359 281 Q HA 0.281 4.621 4.340 -0.001 0.000 0.274 281 Q C -1.744 174.225 176.000 -0.051 0.000 1.074 281 Q CA -0.814 54.902 55.803 -0.145 0.000 0.810 281 Q CB 2.687 31.346 28.738 -0.131 0.000 1.342 281 Q HN 0.215 nan 8.270 nan 0.000 0.427 282 D N 1.908 122.293 120.400 -0.026 0.000 2.402 282 D HA 0.212 4.852 4.640 -0.001 0.000 0.252 282 D C 0.014 176.323 176.300 0.016 0.000 1.294 282 D CA -0.352 53.661 54.000 0.020 0.000 0.948 282 D CB 1.699 42.532 40.800 0.055 0.000 1.202 282 D HN 0.300 nan 8.370 nan 0.000 0.561 283 V N 2.721 122.646 119.914 0.017 0.000 2.323 283 V HA -0.085 4.035 4.120 -0.001 0.000 0.244 283 V C 1.382 177.490 176.094 0.025 0.000 1.041 283 V CA 2.152 64.462 62.300 0.015 0.000 1.025 283 V CB -0.196 31.636 31.823 0.014 0.000 0.656 283 V HN 0.700 nan 8.190 nan 0.000 0.451 284 D N -1.895 118.527 120.400 0.036 0.000 2.540 284 D HA 0.280 4.920 4.640 -0.001 0.000 0.229 284 D C 1.283 177.613 176.300 0.051 0.000 1.250 284 D CA 0.601 54.624 54.000 0.040 0.000 0.817 284 D CB 0.458 41.280 40.800 0.037 0.000 1.060 284 D HN 0.415 nan 8.370 nan 0.000 0.508 285 G N 1.074 109.913 108.800 0.064 0.000 2.176 285 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.253 285 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.253 285 G C 1.218 176.176 174.900 0.096 0.000 0.979 285 G CA 0.234 45.381 45.100 0.079 0.000 0.641 285 G HN 0.397 nan 8.290 nan 0.000 0.530 286 R N 0.234 120.792 120.500 0.096 0.000 2.210 286 R HA 0.419 4.759 4.340 -0.001 0.000 0.203 286 R C 2.997 179.389 176.300 0.153 0.000 1.010 286 R CA 1.044 57.214 56.100 0.116 0.000 1.008 286 R CB -0.194 30.168 30.300 0.104 0.000 0.923 286 R HN 0.487 nan 8.270 nan 0.000 0.469 287 A N 0.868 123.777 122.820 0.149 0.000 1.927 287 A HA -0.221 4.098 4.320 -0.001 0.000 0.220 287 A C 2.069 179.801 177.584 0.246 0.000 1.185 287 A CA 2.190 54.335 52.037 0.180 0.000 0.639 287 A CB -0.886 18.203 19.000 0.148 0.000 0.820 287 A HN 0.232 nan 8.150 nan 0.000 0.451 288 T N 0.062 114.775 114.554 0.264 0.000 2.708 288 T HA -0.120 4.229 4.350 -0.001 0.000 0.266 288 T C 1.436 176.291 174.700 0.258 0.000 1.037 288 T CA 1.574 63.872 62.100 0.330 0.000 1.146 288 T CB -0.404 68.679 68.868 0.358 0.000 0.865 288 T HN 0.495 nan 8.240 nan 0.000 0.435 289 D N 0.568 121.113 120.400 0.241 0.000 2.277 289 D HA 0.031 4.671 4.640 -0.001 0.000 0.208 289 D C 2.164 178.642 176.300 0.296 0.000 0.962 289 D CA 0.297 54.459 54.000 0.269 0.000 0.865 289 D CB -0.274 40.642 40.800 0.195 0.000 0.939 289 D HN 0.201 nan 8.370 nan 0.000 0.510 290 V N 1.362 121.462 119.914 0.311 0.000 2.358 290 V HA -0.199 3.921 4.120 -0.001 0.000 0.246 290 V C 2.518 178.893 176.094 0.468 0.000 1.047 290 V CA 1.730 64.295 62.300 0.441 0.000 1.035 290 V CB -0.621 31.404 31.823 0.337 0.000 0.658 290 V HN 0.172 nan 8.190 nan 0.000 0.452 291 A N -0.281 122.748 122.820 0.349 0.000 1.877 291 A HA -0.149 4.171 4.320 -0.001 0.000 0.216 291 A C 2.111 179.708 177.584 0.022 0.000 1.186 291 A CA 1.637 53.856 52.037 0.304 0.000 0.620 291 A CB -0.597 18.605 19.000 0.337 0.000 0.822 291 A HN 0.383 nan 8.150 nan 0.000 0.443 292 L N 0.040 121.159 121.223 -0.174 0.000 2.042 292 L HA -0.101 4.238 4.340 -0.001 0.000 0.210 292 L C 2.721 179.376 176.870 -0.360 0.000 1.076 292 L CA 1.952 56.519 54.840 -0.456 0.000 0.749 292 L CB -1.573 40.236 42.059 -0.418 0.000 0.893 292 L HN 0.415 nan 8.230 nan 0.000 0.432 293 G N -1.798 106.978 108.800 -0.039 0.000 2.418 293 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.217 293 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.217 293 G C 1.406 176.384 174.900 0.129 0.000 1.158 293 G CA 0.703 45.751 45.100 -0.087 0.000 0.771 293 G HN 0.493 nan 8.290 nan 0.000 0.545 294 W N 1.678 123.110 121.300 0.219 0.000 2.355 294 W HA -0.078 4.581 4.660 -0.001 0.000 0.309 294 W C 2.741 179.285 176.519 0.041 0.000 1.206 294 W CA 1.426 58.911 57.345 0.235 0.000 1.284 294 W CB -0.947 28.620 29.460 0.177 0.000 1.145 294 W HN 0.217 nan 8.180 nan 0.000 0.502 295 S N 0.238 115.861 115.700 -0.128 0.000 2.356 295 S HA -0.210 4.259 4.470 -0.001 0.000 0.223 295 S C 2.095 176.621 174.600 -0.124 0.000 1.032 295 S CA 1.992 60.019 58.200 -0.288 0.000 1.005 295 S CB -0.561 62.410 63.200 -0.381 0.000 0.867 295 S HN 0.283 nan 8.310 nan 0.000 0.449 296 I N 1.499 121.990 120.570 -0.132 0.000 2.286 296 I HA -0.163 4.006 4.170 -0.001 0.000 0.248 296 I C 2.681 178.926 176.117 0.215 0.000 1.115 296 I CA 1.118 62.406 61.300 -0.021 0.000 1.392 296 I CB -0.440 37.449 38.000 -0.186 0.000 1.065 296 I HN 0.376 nan 8.210 nan 0.000 0.418 297 A N 0.554 123.453 122.820 0.132 0.000 2.015 297 A HA -0.079 4.240 4.320 -0.001 0.000 0.219 297 A C 2.224 179.854 177.584 0.076 0.000 1.163 297 A CA 1.052 53.106 52.037 0.029 0.000 0.646 297 A CB -0.612 18.420 19.000 0.053 0.000 0.806 297 A HN 0.410 nan 8.150 nan 0.000 0.448 298 L N -1.626 119.660 121.223 0.106 0.000 2.376 298 L HA 0.085 4.424 4.340 -0.001 0.000 0.219 298 L C 1.742 178.722 176.870 0.183 0.000 1.133 298 L CA 0.779 55.645 54.840 0.043 0.000 0.816 298 L CB -0.293 41.767 42.059 0.001 0.000 0.933 298 L HN 0.604 nan 8.230 nan 0.000 0.449 299 G N -0.712 108.275 108.800 0.312 0.000 2.148 299 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.203 299 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.203 299 G C 0.200 175.196 174.900 0.159 0.000 0.993 299 G CA 0.026 45.348 45.100 0.370 0.000 0.661 299 G HN 0.245 nan 8.290 nan 0.000 0.518 300 S N 1.503 117.244 115.700 0.068 0.000 2.546 300 S HA 0.299 4.768 4.470 -0.001 0.000 0.290 300 S C -0.599 174.017 174.600 0.027 0.000 1.262 300 S CA 0.098 58.293 58.200 -0.007 0.000 1.083 300 S CB 1.439 64.581 63.200 -0.098 0.000 0.859 300 S HN 0.234 nan 8.310 nan 0.000 0.495 301 P HA 0.019 nan 4.420 nan 0.000 0.217 301 P C 0.049 177.493 177.300 0.239 0.000 1.150 301 P CA 0.936 64.112 63.100 0.126 0.000 0.832 301 P CB 0.121 31.914 31.700 0.156 0.000 0.787 302 F N -4.378 115.601 119.950 0.049 0.000 2.608 302 F HA 0.645 5.171 4.527 -0.001 0.000 0.309 302 F C -1.343 174.516 175.800 0.098 0.000 1.103 302 F CA -0.948 57.093 58.000 0.069 0.000 0.954 302 F CB 0.875 39.932 39.000 0.095 0.000 1.267 302 F HN -0.514 nan 8.300 nan 0.000 0.444 303 T N 4.631 119.310 114.554 0.209 0.000 2.786 303 T HA 0.596 4.945 4.350 -0.001 0.000 0.283 303 T C -0.975 173.902 174.700 0.295 0.000 0.992 303 T CA -0.400 61.721 62.100 0.036 0.000 0.954 303 T CB 0.670 69.418 68.868 -0.199 0.000 0.934 303 T HN 0.570 nan 8.240 nan 0.000 0.440 304 F N 1.144 121.225 119.950 0.219 0.000 2.507 304 F HA 0.908 5.435 4.527 -0.001 0.000 0.327 304 F C 0.094 176.054 175.800 0.267 0.000 1.068 304 F CA -1.902 56.280 58.000 0.302 0.000 0.965 304 F CB 0.622 39.816 39.000 0.323 0.000 1.192 304 F HN 0.564 nan 8.300 nan 0.000 0.476 305 A N 1.754 124.771 122.820 0.327 0.000 2.354 305 A HA 0.664 4.984 4.320 -0.001 0.000 0.269 305 A C 0.088 177.797 177.584 0.207 0.000 1.109 305 A CA 0.245 52.280 52.037 -0.004 0.000 0.800 305 A CB 0.650 19.587 19.000 -0.105 0.000 1.045 305 A HN 1.087 nan 8.150 nan 0.000 0.489 306 T N -0.694 113.931 114.554 0.119 0.000 2.648 306 T HA 0.691 5.041 4.350 -0.001 0.000 0.304 306 T C -0.415 174.218 174.700 -0.111 0.000 1.312 306 T CA 0.253 62.410 62.100 0.095 0.000 1.023 306 T CB 1.128 70.040 68.868 0.074 0.000 1.612 306 T HN 1.467 nan 8.240 nan 0.000 0.487 307 T N 0.069 114.550 114.554 -0.122 0.000 2.930 307 T HA 0.587 4.937 4.350 -0.001 0.000 0.290 307 T C 1.526 176.154 174.700 -0.120 0.000 1.052 307 T CA -0.903 61.070 62.100 -0.212 0.000 1.017 307 T CB 0.997 69.767 68.868 -0.163 0.000 1.137 307 T HN 0.473 nan 8.240 nan 0.000 0.511 308 L N 0.148 121.310 121.223 -0.101 0.000 2.079 308 L HA -0.060 4.279 4.340 -0.001 0.000 0.210 308 L C 2.870 179.748 176.870 0.014 0.000 1.081 308 L CA 1.829 56.650 54.840 -0.032 0.000 0.752 308 L CB -0.430 41.584 42.059 -0.075 0.000 0.896 308 L HN 0.891 nan 8.230 nan 0.000 0.433 309 E N -0.656 119.498 120.200 -0.078 0.000 2.112 309 E HA -0.191 4.159 4.350 -0.001 0.000 0.190 309 E C 2.240 178.572 176.600 -0.448 0.000 0.979 309 E CA 0.523 56.715 56.400 -0.346 0.000 0.814 309 E CB 0.235 29.797 29.700 -0.230 0.000 0.762 309 E HN 0.388 nan 8.360 nan 0.000 0.460 310 Q N 0.566 120.256 119.800 -0.184 0.000 2.119 310 Q HA -0.171 4.168 4.340 -0.001 0.000 0.201 310 Q C 2.000 178.041 176.000 0.069 0.000 0.972 310 Q CA 0.977 56.751 55.803 -0.047 0.000 0.847 310 Q CB -0.168 28.570 28.738 -0.000 0.000 0.903 310 Q HN 0.343 nan 8.270 nan 0.000 0.433 311 E N 0.492 120.714 120.200 0.036 0.000 2.031 311 E HA -0.173 4.177 4.350 -0.001 0.000 0.193 311 E C 2.103 178.808 176.600 0.175 0.000 0.994 311 E CA 1.315 57.785 56.400 0.116 0.000 0.800 311 E CB -0.187 29.574 29.700 0.103 0.000 0.752 311 E HN 0.487 nan 8.360 nan 0.000 0.447 312 Y N 0.712 121.061 120.300 0.082 0.000 2.224 312 Y HA -0.041 4.509 4.550 -0.001 0.000 0.289 312 Y C 2.063 178.006 175.900 0.071 0.000 1.146 312 Y CA 1.296 59.432 58.100 0.061 0.000 1.182 312 Y CB -0.618 37.761 38.460 -0.136 0.000 0.983 312 Y HN -0.130 nan 8.280 nan 0.000 0.524 313 K N 0.706 120.980 120.400 -0.210 0.000 2.026 313 K HA -0.145 4.175 4.320 -0.001 0.000 0.208 313 K C 2.389 178.952 176.600 -0.062 0.000 1.048 313 K CA 1.993 58.158 56.287 -0.203 0.000 0.929 313 K CB -0.304 32.052 32.500 -0.241 0.000 0.713 313 K HN 0.582 nan 8.250 nan 0.000 0.439 314 S N 0.757 116.489 115.700 0.054 0.000 2.414 314 S HA -0.136 4.334 4.470 -0.001 0.000 0.227 314 S C 1.812 176.526 174.600 0.189 0.000 1.022 314 S CA 1.049 59.281 58.200 0.053 0.000 0.958 314 S CB -0.123 63.002 63.200 -0.126 0.000 0.797 314 S HN 0.235 nan 8.310 nan 0.000 0.493 315 D N 1.748 122.259 120.400 0.186 0.000 2.091 315 D HA -0.027 4.612 4.640 -0.001 0.000 0.199 315 D C 1.965 178.351 176.300 0.144 0.000 0.980 315 D CA 1.278 55.375 54.000 0.162 0.000 0.831 315 D CB -0.120 40.807 40.800 0.212 0.000 0.987 315 D HN 0.453 nan 8.370 nan 0.000 0.460 316 I N 0.556 121.280 120.570 0.257 0.000 2.286 316 I HA -0.232 3.938 4.170 -0.001 0.000 0.248 316 I C 2.427 178.596 176.117 0.086 0.000 1.115 316 I CA 0.659 62.083 61.300 0.206 0.000 1.392 316 I CB -0.383 37.784 38.000 0.277 0.000 1.065 316 I HN 0.043 nan 8.210 nan 0.000 0.418 317 F N 1.895 121.809 119.950 -0.060 0.000 2.084 317 F HA -0.076 4.451 4.527 -0.001 0.000 0.296 317 F C 2.351 178.104 175.800 -0.078 0.000 1.111 317 F CA 1.720 59.650 58.000 -0.117 0.000 1.224 317 F CB -1.033 37.904 39.000 -0.104 0.000 0.991 317 F HN -0.028 nan 8.300 nan 0.000 0.471 318 G N 0.530 109.115 108.800 -0.358 0.000 2.442 318 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.219 318 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.219 318 G C 1.485 176.198 174.900 -0.311 0.000 1.141 318 G CA 0.948 45.778 45.100 -0.450 0.000 0.763 318 G HN 0.644 nan 8.290 nan 0.000 0.554 319 E N 0.344 120.435 120.200 -0.181 0.000 2.204 319 E HA -0.095 4.254 4.350 -0.001 0.000 0.194 319 E C 2.380 178.916 176.600 -0.106 0.000 0.989 319 E CA 0.598 56.926 56.400 -0.120 0.000 0.824 319 E CB -0.275 29.378 29.700 -0.077 0.000 0.756 319 E HN 0.384 nan 8.360 nan 0.000 0.477 320 R N 0.940 121.348 120.500 -0.154 0.000 2.153 320 R HA 0.086 4.425 4.340 -0.001 0.000 0.218 320 R C 1.769 178.022 176.300 -0.078 0.000 1.072 320 R CA 0.797 56.844 56.100 -0.090 0.000 0.990 320 R CB 0.040 30.146 30.300 -0.323 0.000 0.889 320 R HN 0.230 nan 8.270 nan 0.000 0.452 321 G N 0.633 109.236 108.800 -0.329 0.000 3.022 321 G HA2 -0.055 3.905 3.960 -0.001 0.000 0.157 321 G HA3 -0.055 3.905 3.960 -0.001 0.000 0.157 321 G C 0.892 175.551 174.900 -0.401 0.000 1.691 321 G CA -0.305 44.536 45.100 -0.431 0.000 1.079 321 G HN 0.076 nan 8.290 nan 0.000 0.549 322 I N 0.389 120.727 120.570 -0.387 0.000 2.185 322 I HA -0.197 3.973 4.170 -0.001 0.000 0.246 322 I C 2.720 178.758 176.117 -0.132 0.000 1.088 322 I CA 1.318 62.454 61.300 -0.273 0.000 1.347 322 I CB -0.188 37.658 38.000 -0.258 0.000 1.041 322 I HN 0.347 nan 8.210 nan 0.000 0.415 323 L N -1.147 120.001 121.223 -0.126 0.000 2.012 323 L HA -0.216 4.123 4.340 -0.001 0.000 0.210 323 L C 2.089 178.943 176.870 -0.027 0.000 1.073 323 L CA 1.550 56.356 54.840 -0.056 0.000 0.748 323 L CB -0.555 41.458 42.059 -0.075 0.000 0.891 323 L HN 0.316 nan 8.230 nan 0.000 0.431 324 L N -2.928 118.271 121.223 -0.039 0.000 2.769 324 L HA 0.252 4.592 4.340 -0.001 0.000 0.175 324 L C 2.426 179.335 176.870 0.065 0.000 1.099 324 L CA 0.594 55.437 54.840 0.005 0.000 0.876 324 L CB -1.011 41.044 42.059 -0.007 0.000 1.498 324 L HN 0.050 nan 8.230 nan 0.000 0.499 325 G N 0.507 109.357 108.800 0.083 0.000 2.514 325 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.217 325 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.217 325 G C 1.643 176.622 174.900 0.131 0.000 1.198 325 G CA 1.257 46.478 45.100 0.202 0.000 0.780 325 G HN 0.408 nan 8.290 nan 0.000 0.565 326 A N -0.291 122.396 122.820 -0.222 0.000 1.902 326 A HA 0.091 4.411 4.320 -0.001 0.000 0.217 326 A C 2.605 180.071 177.584 -0.197 0.000 1.181 326 A CA 1.900 53.535 52.037 -0.671 0.000 0.623 326 A CB -0.820 17.391 19.000 -1.316 0.000 0.818 326 A HN 0.609 nan 8.150 nan 0.000 0.443 327 V N -0.404 119.488 119.914 -0.037 0.000 2.427 327 V HA -0.261 3.858 4.120 -0.001 0.000 0.248 327 V C 2.267 178.476 176.094 0.192 0.000 1.051 327 V CA 2.670 65.042 62.300 0.120 0.000 1.048 327 V CB -0.770 31.163 31.823 0.183 0.000 0.666 327 V HN 0.828 nan 8.190 nan 0.000 0.456 328 H N -0.492 118.630 119.070 0.086 0.000 2.321 328 H HA -0.085 4.471 4.556 -0.001 0.000 0.300 328 H C 2.178 177.610 175.328 0.175 0.000 1.087 328 H CA 1.280 57.416 56.048 0.147 0.000 1.319 328 H CB -0.279 29.556 29.762 0.121 0.000 1.379 328 H HN 0.515 nan 8.280 nan 0.000 0.501 329 G N 0.968 109.866 108.800 0.163 0.000 2.418 329 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.217 329 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.217 329 G C 1.775 176.751 174.900 0.127 0.000 1.158 329 G CA 0.909 46.080 45.100 0.119 0.000 0.771 329 G HN 0.395 nan 8.290 nan 0.000 0.545 330 I N 0.033 120.675 120.570 0.120 0.000 2.163 330 I HA -0.174 3.996 4.170 -0.001 0.000 0.243 330 I C 2.786 178.950 176.117 0.078 0.000 1.085 330 I CA 0.648 62.005 61.300 0.096 0.000 1.347 330 I CB -0.252 37.809 38.000 0.101 0.000 1.044 330 I HN 0.049 nan 8.210 nan 0.000 0.408 331 V N 0.612 120.594 119.914 0.113 0.000 2.343 331 V HA -0.250 3.869 4.120 -0.001 0.000 0.247 331 V C 2.499 178.632 176.094 0.065 0.000 1.051 331 V CA 1.788 64.139 62.300 0.085 0.000 1.036 331 V CB -0.494 31.427 31.823 0.163 0.000 0.654 331 V HN 0.400 nan 8.190 nan 0.000 0.451 332 E N -1.126 119.144 120.200 0.116 0.000 2.047 332 E HA -0.222 4.127 4.350 -0.001 0.000 0.191 332 E C 2.289 178.927 176.600 0.063 0.000 0.987 332 E CA 1.598 58.046 56.400 0.080 0.000 0.799 332 E CB -0.811 28.930 29.700 0.067 0.000 0.752 332 E HN 0.667 nan 8.360 nan 0.000 0.449 333 C N 1.028 120.354 119.300 0.043 0.000 2.413 333 C HA -0.119 4.341 4.460 -0.001 0.000 0.277 333 C C 2.813 177.762 174.990 -0.068 0.000 1.228 333 C CA 0.714 59.738 59.018 0.010 0.000 1.731 333 C CB -1.161 26.602 27.740 0.039 0.000 2.042 333 C HN 0.337 nan 8.230 nan 0.000 0.468 334 L N -0.385 120.755 121.223 -0.138 0.000 2.141 334 L HA -0.032 4.308 4.340 -0.001 0.000 0.209 334 L C 2.439 178.921 176.870 -0.647 0.000 1.094 334 L CA 1.589 56.146 54.840 -0.471 0.000 0.763 334 L CB -0.859 40.909 42.059 -0.486 0.000 0.908 334 L HN 0.431 nan 8.230 nan 0.000 0.437 335 F N 0.943 120.653 119.950 -0.399 0.000 2.102 335 F HA -0.236 4.290 4.527 -0.001 0.000 0.298 335 F C 2.835 178.537 175.800 -0.163 0.000 1.105 335 F CA 1.585 59.433 58.000 -0.254 0.000 1.239 335 F CB -0.190 38.696 39.000 -0.190 0.000 0.991 335 F HN -0.142 nan 8.300 nan 0.000 0.474 336 R N 0.372 120.882 120.500 0.018 0.000 2.073 336 R HA -0.210 4.130 4.340 -0.001 0.000 0.234 336 R C 2.622 178.850 176.300 -0.119 0.000 1.134 336 R CA 1.792 57.871 56.100 -0.035 0.000 0.952 336 R CB -0.458 29.861 30.300 0.031 0.000 0.850 336 R HN 0.307 nan 8.270 nan 0.000 0.433 337 R N -0.537 119.884 120.500 -0.131 0.000 2.094 337 R HA -0.213 4.127 4.340 -0.001 0.000 0.239 337 R C 2.078 178.383 176.300 0.008 0.000 1.137 337 R CA 2.028 58.081 56.100 -0.079 0.000 0.943 337 R CB -0.491 29.754 30.300 -0.092 0.000 0.850 337 R HN 0.265 nan 8.270 nan 0.000 0.433 338 Y N 1.056 121.257 120.300 -0.166 0.000 2.128 338 Y HA -0.206 4.344 4.550 -0.001 0.000 0.284 338 Y C 2.821 178.564 175.900 -0.262 0.000 1.154 338 Y CA 1.755 59.723 58.100 -0.220 0.000 1.149 338 Y CB -1.362 36.934 38.460 -0.273 0.000 0.976 338 Y HN 0.355 nan 8.280 nan 0.000 0.505 339 T N -2.236 112.190 114.554 -0.213 0.000 2.821 339 T HA -0.157 4.192 4.350 -0.001 0.000 0.267 339 T C 1.623 176.243 174.700 -0.133 0.000 1.046 339 T CA 1.464 63.410 62.100 -0.256 0.000 1.139 339 T CB -0.387 68.221 68.868 -0.434 0.000 0.871 339 T HN 0.378 nan 8.240 nan 0.000 0.454 340 E N 1.626 121.768 120.200 -0.097 0.000 2.153 340 E HA -0.093 4.256 4.350 -0.001 0.000 0.194 340 E C 2.416 178.990 176.600 -0.044 0.000 0.988 340 E CA 1.329 57.694 56.400 -0.058 0.000 0.811 340 E CB -0.158 29.516 29.700 -0.044 0.000 0.746 340 E HN 0.768 nan 8.360 nan 0.000 0.466 341 S N -1.025 114.653 115.700 -0.037 0.000 2.603 341 S HA 0.074 4.543 4.470 -0.001 0.000 0.229 341 S C 1.531 176.104 174.600 -0.046 0.000 0.972 341 S CA 0.607 58.787 58.200 -0.034 0.000 0.935 341 S CB 0.423 63.607 63.200 -0.026 0.000 0.769 341 S HN 0.384 nan 8.310 nan 0.000 0.536 342 G N 0.513 109.278 108.800 -0.057 0.000 2.201 342 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.212 342 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.212 342 G C -0.034 174.823 174.900 -0.071 0.000 0.994 342 G CA 0.016 45.081 45.100 -0.058 0.000 0.644 342 G HN 0.560 nan 8.290 nan 0.000 0.508 343 M N 2.867 122.412 119.600 -0.091 0.000 2.245 343 M HA 0.466 4.945 4.480 -0.001 0.000 0.344 343 M C 1.397 177.629 176.300 -0.115 0.000 1.170 343 M CA 0.403 55.638 55.300 -0.109 0.000 1.135 343 M CB 0.586 33.096 32.600 -0.150 0.000 1.574 343 M HN 0.657 nan 8.290 nan 0.000 0.452 344 S N 2.984 118.631 115.700 -0.087 0.000 2.584 344 S HA 0.066 4.535 4.470 -0.001 0.000 0.270 344 S C 0.644 175.192 174.600 -0.085 0.000 1.346 344 S CA -0.391 57.768 58.200 -0.069 0.000 1.018 344 S CB 0.793 63.971 63.200 -0.036 0.000 0.899 344 S HN 0.841 nan 8.310 nan 0.000 0.542 345 E N 0.916 121.084 120.200 -0.053 0.000 2.058 345 E HA -0.221 4.129 4.350 -0.001 0.000 0.194 345 E C 1.529 178.208 176.600 0.132 0.000 0.997 345 E CA 1.623 58.032 56.400 0.016 0.000 0.801 345 E CB -0.289 29.481 29.700 0.117 0.000 0.746 345 E HN 0.915 nan 8.360 nan 0.000 0.450 346 D N 0.532 120.977 120.400 0.075 0.000 2.126 346 D HA -0.213 4.426 4.640 -0.001 0.000 0.190 346 D C 1.905 178.269 176.300 0.107 0.000 1.001 346 D CA 0.999 55.048 54.000 0.081 0.000 0.841 346 D CB -0.067 40.751 40.800 0.031 0.000 0.949 346 D HN 0.021 nan 8.370 nan 0.000 0.446 347 L N 0.044 121.290 121.223 0.039 0.000 2.141 347 L HA 0.086 4.426 4.340 -0.001 0.000 0.209 347 L C 2.142 179.006 176.870 -0.010 0.000 1.094 347 L CA 1.794 56.634 54.840 0.001 0.000 0.763 347 L CB -0.820 41.209 42.059 -0.050 0.000 0.908 347 L HN 0.166 nan 8.230 nan 0.000 0.437 348 A N -1.754 121.065 122.820 -0.001 0.000 1.930 348 A HA -0.258 4.061 4.320 -0.001 0.000 0.217 348 A C 2.251 179.992 177.584 0.261 0.000 1.175 348 A CA 1.582 53.631 52.037 0.019 0.000 0.627 348 A CB -0.980 17.791 19.000 -0.382 0.000 0.815 348 A HN 0.553 nan 8.150 nan 0.000 0.443 349 Y N 0.696 121.152 120.300 0.260 0.000 2.163 349 Y HA -0.161 4.389 4.550 -0.001 0.000 0.288 349 Y C 2.275 178.228 175.900 0.088 0.000 1.136 349 Y CA 2.215 60.431 58.100 0.192 0.000 1.147 349 Y CB -0.138 38.376 38.460 0.090 0.000 0.987 349 Y HN 0.252 nan 8.280 nan 0.000 0.509 350 K N -0.180 120.340 120.400 0.200 0.000 2.057 350 K HA -0.170 4.149 4.320 -0.001 0.000 0.207 350 K C 1.552 178.171 176.600 0.032 0.000 1.049 350 K CA 1.423 57.776 56.287 0.109 0.000 0.931 350 K CB -0.207 32.358 32.500 0.108 0.000 0.714 350 K HN 0.275 nan 8.250 nan 0.000 0.440 351 N N 0.192 118.886 118.700 -0.009 0.000 2.550 351 N HA -0.067 4.673 4.740 -0.001 0.000 0.186 351 N C 1.328 176.882 175.510 0.073 0.000 1.110 351 N CA 1.326 54.330 53.050 -0.078 0.000 0.912 351 N CB 0.257 38.425 38.487 -0.531 0.000 0.968 351 N HN 0.422 nan 8.380 nan 0.000 0.448 352 T N -3.619 110.960 114.554 0.042 0.000 3.478 352 T HA 0.135 4.484 4.350 -0.001 0.000 0.223 352 T C 1.909 176.550 174.700 -0.099 0.000 0.958 352 T CA 0.170 62.275 62.100 0.009 0.000 1.324 352 T CB -0.502 68.352 68.868 -0.023 0.000 1.262 352 T HN -0.207 nan 8.240 nan 0.000 0.379 353 V N 2.678 122.419 119.914 -0.287 0.000 2.261 353 V HA -0.119 4.001 4.120 -0.001 0.000 0.246 353 V C 3.020 179.037 176.094 -0.130 0.000 1.047 353 V CA 2.083 64.204 62.300 -0.299 0.000 1.015 353 V CB -0.771 30.635 31.823 -0.695 0.000 0.642 353 V HN 0.486 nan 8.190 nan 0.000 0.446 354 E N -0.486 119.646 120.200 -0.114 0.000 2.077 354 E HA -0.248 4.102 4.350 -0.001 0.000 0.193 354 E C 2.330 178.992 176.600 0.103 0.000 0.989 354 E CA 1.693 58.146 56.400 0.088 0.000 0.800 354 E CB -0.962 28.811 29.700 0.122 0.000 0.746 354 E HN 0.684 nan 8.360 nan 0.000 0.452 355 C N 0.996 120.327 119.300 0.053 0.000 2.413 355 C HA -0.136 4.324 4.460 -0.001 0.000 0.277 355 C C 2.777 177.775 174.990 0.014 0.000 1.228 355 C CA 0.622 59.679 59.018 0.065 0.000 1.731 355 C CB -1.129 26.673 27.740 0.102 0.000 2.042 355 C HN 0.336 nan 8.230 nan 0.000 0.468 356 I N 1.266 121.796 120.570 -0.066 0.000 2.202 356 I HA -0.145 4.025 4.170 -0.001 0.000 0.242 356 I C 2.737 178.762 176.117 -0.152 0.000 1.091 356 I CA 2.161 63.320 61.300 -0.235 0.000 1.368 356 I CB -0.584 37.150 38.000 -0.443 0.000 1.058 356 I HN 0.583 nan 8.210 nan 0.000 0.410 357 T N -1.953 112.583 114.554 -0.031 0.000 3.085 357 T HA 0.113 4.463 4.350 -0.001 0.000 0.263 357 T C 1.315 176.026 174.700 0.019 0.000 1.127 357 T CA 0.665 62.796 62.100 0.052 0.000 1.103 357 T CB -0.254 68.719 68.868 0.174 0.000 0.921 357 T HN 0.385 nan 8.240 nan 0.000 0.510 358 G N 0.715 109.527 108.800 0.020 0.000 2.754 358 G HA2 0.261 4.221 3.960 -0.001 0.000 0.210 358 G HA3 0.261 4.221 3.960 -0.001 0.000 0.210 358 G C 1.201 176.081 174.900 -0.034 0.000 2.092 358 G CA 0.279 45.324 45.100 -0.091 0.000 0.766 358 G HN 0.188 nan 8.290 nan 0.000 0.745 359 V N 1.040 120.962 119.914 0.013 0.000 2.324 359 V HA -0.180 3.940 4.120 -0.001 0.000 0.250 359 V C 2.782 178.906 176.094 0.051 0.000 1.060 359 V CA 2.145 64.464 62.300 0.033 0.000 1.042 359 V CB -0.530 31.326 31.823 0.053 0.000 0.650 359 V HN 0.458 nan 8.190 nan 0.000 0.450 360 I N -0.443 120.161 120.570 0.056 0.000 2.142 360 I HA -0.223 3.946 4.170 -0.001 0.000 0.240 360 I C 2.654 178.831 176.117 0.100 0.000 1.078 360 I CA 1.952 63.306 61.300 0.089 0.000 1.343 360 I CB -0.563 37.469 38.000 0.054 0.000 1.046 360 I HN 0.300 nan 8.210 nan 0.000 0.405 361 S N 0.397 116.132 115.700 0.058 0.000 2.359 361 S HA -0.268 4.202 4.470 -0.001 0.000 0.224 361 S C 2.002 176.646 174.600 0.074 0.000 1.035 361 S CA 1.629 59.878 58.200 0.081 0.000 1.018 361 S CB -0.295 62.934 63.200 0.048 0.000 0.876 361 S HN 0.344 nan 8.310 nan 0.000 0.448 362 K N 0.601 121.026 120.400 0.042 0.000 2.057 362 K HA -0.129 4.190 4.320 -0.001 0.000 0.207 362 K C 2.039 178.672 176.600 0.054 0.000 1.049 362 K CA 1.728 58.036 56.287 0.036 0.000 0.931 362 K CB -0.374 32.133 32.500 0.013 0.000 0.714 362 K HN 0.312 nan 8.250 nan 0.000 0.440 363 T N 1.555 116.149 114.554 0.066 0.000 2.708 363 T HA -0.110 4.239 4.350 -0.001 0.000 0.266 363 T C 1.870 176.625 174.700 0.092 0.000 1.037 363 T CA 1.556 63.700 62.100 0.074 0.000 1.146 363 T CB -0.156 68.764 68.868 0.086 0.000 0.865 363 T HN 0.201 nan 8.240 nan 0.000 0.435 364 I N 1.060 121.704 120.570 0.124 0.000 2.315 364 I HA -0.153 4.017 4.170 -0.001 0.000 0.248 364 I C 2.798 178.985 176.117 0.115 0.000 1.117 364 I CA 0.820 62.206 61.300 0.144 0.000 1.404 364 I CB -0.398 37.720 38.000 0.197 0.000 1.071 364 I HN 0.247 nan 8.210 nan 0.000 0.419 365 S N 0.418 116.178 115.700 0.100 0.000 2.370 365 S HA -0.205 4.264 4.470 -0.001 0.000 0.226 365 S C 1.988 176.630 174.600 0.069 0.000 1.033 365 S CA 2.483 60.734 58.200 0.084 0.000 1.011 365 S CB -0.286 62.958 63.200 0.072 0.000 0.852 365 S HN 0.623 nan 8.310 nan 0.000 0.457 366 T N -2.283 112.305 114.554 0.057 0.000 2.978 366 T HA 0.363 4.712 4.350 -0.001 0.000 0.248 366 T C 1.571 176.293 174.700 0.036 0.000 1.018 366 T CA -0.214 61.912 62.100 0.043 0.000 1.026 366 T CB -0.005 68.883 68.868 0.033 0.000 1.032 366 T HN 0.301 nan 8.240 nan 0.000 0.485 367 K N 0.899 121.324 120.400 0.041 0.000 2.350 367 K HA 0.521 4.841 4.320 -0.001 0.000 0.196 367 K C 1.027 177.649 176.600 0.036 0.000 1.084 367 K CA 0.388 56.692 56.287 0.029 0.000 0.967 367 K CB 0.697 33.211 32.500 0.023 0.000 0.950 367 K HN 0.506 nan 8.250 nan 0.000 0.512 368 G N 0.884 109.724 108.800 0.066 0.000 2.541 368 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.686 368 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.686 368 G C 0.288 175.252 174.900 0.106 0.000 1.286 368 G CA -0.423 44.731 45.100 0.089 0.000 0.894 368 G HN -0.020 nan 8.290 nan 0.000 0.575 369 M N 0.013 119.706 119.600 0.155 0.000 2.175 369 M HA 0.098 4.577 4.480 -0.001 0.000 0.264 369 M C 2.690 179.038 176.300 0.080 0.000 1.063 369 M CA 1.312 56.747 55.300 0.225 0.000 1.119 369 M CB -0.262 32.600 32.600 0.438 0.000 1.377 369 M HN 0.480 nan 8.290 nan 0.000 0.415 370 L N -0.291 120.781 121.223 -0.252 0.000 2.056 370 L HA -0.161 4.178 4.340 -0.001 0.000 0.207 370 L C 2.812 179.618 176.870 -0.106 0.000 1.078 370 L CA 1.187 55.810 54.840 -0.361 0.000 0.749 370 L CB -0.777 40.961 42.059 -0.535 0.000 0.901 370 L HN 0.296 nan 8.230 nan 0.000 0.433 371 A N -0.092 122.691 122.820 -0.061 0.000 1.933 371 A HA -0.237 4.082 4.320 -0.001 0.000 0.218 371 A C 2.179 179.766 177.584 0.004 0.000 1.175 371 A CA 1.577 53.599 52.037 -0.026 0.000 0.628 371 A CB -0.636 18.358 19.000 -0.010 0.000 0.814 371 A HN 0.336 nan 8.150 nan 0.000 0.444 372 L N -1.561 119.697 121.223 0.058 0.000 2.012 372 L HA -0.175 4.165 4.340 -0.001 0.000 0.210 372 L C 2.322 179.216 176.870 0.041 0.000 1.073 372 L CA 2.511 57.407 54.840 0.093 0.000 0.748 372 L CB -0.923 41.252 42.059 0.193 0.000 0.891 372 L HN 0.521 nan 8.230 nan 0.000 0.431 373 Y N 0.549 120.784 120.300 -0.109 0.000 2.165 373 Y HA -0.273 4.277 4.550 -0.001 0.000 0.286 373 Y C 2.359 178.126 175.900 -0.221 0.000 1.155 373 Y CA 2.139 60.048 58.100 -0.318 0.000 1.164 373 Y CB -0.431 37.820 38.460 -0.349 0.000 0.978 373 Y HN 0.367 nan 8.280 nan 0.000 0.513 374 N N -0.189 118.401 118.700 -0.184 0.000 2.309 374 N HA -0.140 4.599 4.740 -0.001 0.000 0.182 374 N C 1.914 177.308 175.510 -0.195 0.000 1.018 374 N CA 1.354 54.277 53.050 -0.211 0.000 0.876 374 N CB -0.596 37.836 38.487 -0.092 0.000 0.972 374 N HN 0.520 nan 8.380 nan 0.000 0.434 375 S N -0.196 115.420 115.700 -0.141 0.000 2.607 375 S HA 0.080 4.550 4.470 -0.001 0.000 0.224 375 S C 0.756 175.287 174.600 -0.115 0.000 0.969 375 S CA -0.135 58.008 58.200 -0.095 0.000 0.927 375 S CB -0.327 62.850 63.200 -0.039 0.000 0.772 375 S HN 0.116 nan 8.310 nan 0.000 0.533 376 L N 2.646 123.748 121.223 -0.202 0.000 2.399 376 L HA 0.425 4.765 4.340 -0.001 0.000 0.266 376 L C 0.991 177.749 176.870 -0.187 0.000 1.114 376 L CA -0.750 53.977 54.840 -0.189 0.000 0.804 376 L CB 1.176 43.076 42.059 -0.264 0.000 1.146 376 L HN 0.270 nan 8.230 nan 0.000 0.451 377 S N 0.361 115.988 115.700 -0.122 0.000 2.626 377 S HA 0.104 4.573 4.470 -0.001 0.000 0.257 377 S C 0.804 175.336 174.600 -0.114 0.000 1.288 377 S CA -0.608 57.533 58.200 -0.098 0.000 0.980 377 S CB 0.842 64.004 63.200 -0.062 0.000 0.975 377 S HN 0.587 nan 8.310 nan 0.000 0.577 378 E N 0.369 120.519 120.200 -0.082 0.000 2.152 378 E HA -0.086 4.264 4.350 -0.001 0.000 0.192 378 E C 1.859 178.435 176.600 -0.039 0.000 0.983 378 E CA 1.110 57.469 56.400 -0.068 0.000 0.818 378 E CB -0.434 29.240 29.700 -0.043 0.000 0.758 378 E HN 0.814 nan 8.360 nan 0.000 0.467 379 E N 0.664 120.845 120.200 -0.033 0.000 2.106 379 E HA -0.076 4.273 4.350 -0.001 0.000 0.192 379 E C 2.051 178.645 176.600 -0.009 0.000 0.984 379 E CA 1.393 57.785 56.400 -0.015 0.000 0.806 379 E CB -0.675 29.012 29.700 -0.021 0.000 0.750 379 E HN 0.217 nan 8.360 nan 0.000 0.458 380 G N 0.791 109.571 108.800 -0.033 0.000 2.421 380 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.216 380 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.216 380 G C 1.523 176.437 174.900 0.024 0.000 1.171 380 G CA 0.971 46.059 45.100 -0.019 0.000 0.775 380 G HN 0.274 nan 8.290 nan 0.000 0.543 381 K N 0.500 120.861 120.400 -0.066 0.000 2.103 381 K HA -0.082 4.237 4.320 -0.001 0.000 0.207 381 K C 2.551 179.251 176.600 0.166 0.000 1.048 381 K CA 1.284 57.538 56.287 -0.055 0.000 0.930 381 K CB -0.123 32.239 32.500 -0.229 0.000 0.716 381 K HN 0.246 nan 8.250 nan 0.000 0.444 382 K N 0.697 121.162 120.400 0.108 0.000 2.057 382 K HA -0.140 4.180 4.320 -0.001 0.000 0.207 382 K C 1.703 178.408 176.600 0.175 0.000 1.049 382 K CA 1.464 57.830 56.287 0.132 0.000 0.931 382 K CB -0.062 32.487 32.500 0.082 0.000 0.714 382 K HN 0.140 nan 8.250 nan 0.000 0.440 383 D N 0.435 120.936 120.400 0.168 0.000 2.144 383 D HA -0.138 4.501 4.640 -0.001 0.000 0.200 383 D C 1.700 178.142 176.300 0.237 0.000 0.978 383 D CA 0.800 54.933 54.000 0.222 0.000 0.833 383 D CB -0.202 40.698 40.800 0.165 0.000 0.961 383 D HN 0.059 nan 8.370 nan 0.000 0.470 384 F N 1.989 121.989 119.950 0.084 0.000 2.095 384 F HA -0.196 4.330 4.527 -0.001 0.000 0.298 384 F C 2.355 178.194 175.800 0.064 0.000 1.104 384 F CA 1.571 59.616 58.000 0.074 0.000 1.232 384 F CB -0.276 38.820 39.000 0.160 0.000 0.987 384 F HN -0.102 nan 8.300 nan 0.000 0.475 385 Q N 0.091 120.168 119.800 0.462 0.000 2.084 385 Q HA -0.190 4.150 4.340 -0.001 0.000 0.202 385 Q C 2.490 178.578 176.000 0.147 0.000 0.978 385 Q CA 1.487 57.467 55.803 0.295 0.000 0.844 385 Q CB -0.574 28.310 28.738 0.244 0.000 0.898 385 Q HN 0.562 nan 8.270 nan 0.000 0.426 386 A N 1.260 124.164 122.820 0.140 0.000 1.877 386 A HA -0.157 4.162 4.320 -0.001 0.000 0.216 386 A C 2.325 179.922 177.584 0.022 0.000 1.186 386 A CA 1.755 53.873 52.037 0.135 0.000 0.620 386 A CB -0.844 18.299 19.000 0.239 0.000 0.822 386 A HN 0.407 nan 8.150 nan 0.000 0.443 387 A N -1.806 120.879 122.820 -0.224 0.000 1.902 387 A HA -0.089 4.231 4.320 -0.001 0.000 0.217 387 A C 2.178 179.552 177.584 -0.350 0.000 1.181 387 A CA 1.701 53.369 52.037 -0.614 0.000 0.623 387 A CB -0.796 17.452 19.000 -1.253 0.000 0.818 387 A HN 0.683 nan 8.150 nan 0.000 0.443 388 Y N 0.451 120.486 120.300 -0.441 0.000 2.133 388 Y HA -0.148 4.401 4.550 -0.001 0.000 0.287 388 Y C 2.992 178.781 175.900 -0.186 0.000 1.134 388 Y CA 1.708 59.579 58.100 -0.381 0.000 1.133 388 Y CB -0.565 37.606 38.460 -0.481 0.000 0.987 388 Y HN 0.314 nan 8.280 nan 0.000 0.502 389 S N -0.360 115.428 115.700 0.146 0.000 2.387 389 S HA -0.236 4.233 4.470 -0.001 0.000 0.230 389 S C 2.090 176.737 174.600 0.079 0.000 1.035 389 S CA 1.431 59.703 58.200 0.120 0.000 1.014 389 S CB -0.696 62.575 63.200 0.119 0.000 0.836 389 S HN 0.594 nan 8.310 nan 0.000 0.466 390 A N -0.393 122.456 122.820 0.049 0.000 2.081 390 A HA 0.241 4.560 4.320 -0.001 0.000 0.214 390 A C 2.205 179.812 177.584 0.038 0.000 1.158 390 A CA 1.160 53.239 52.037 0.070 0.000 0.724 390 A CB -0.315 18.738 19.000 0.088 0.000 0.826 390 A HN 0.511 nan 8.150 nan 0.000 0.463 391 S N -1.911 113.756 115.700 -0.055 0.000 2.486 391 S HA 0.047 4.516 4.470 -0.001 0.000 0.220 391 S C 1.571 176.098 174.600 -0.120 0.000 1.011 391 S CA 0.262 58.410 58.200 -0.086 0.000 0.921 391 S CB -0.434 62.664 63.200 -0.170 0.000 0.785 391 S HN 0.639 nan 8.310 nan 0.000 0.517 392 Y N 1.744 121.823 120.300 -0.369 0.000 2.070 392 Y HA -0.291 4.258 4.550 -0.001 0.000 0.280 392 Y C 1.948 177.660 175.900 -0.312 0.000 1.148 392 Y CA 1.775 59.581 58.100 -0.490 0.000 1.125 392 Y CB -0.477 37.548 38.460 -0.724 0.000 0.975 392 Y HN 0.201 nan 8.280 nan 0.000 0.492 393 Y N -0.616 119.751 120.300 0.111 0.000 2.163 393 Y HA -0.097 4.453 4.550 -0.001 0.000 0.288 393 Y C -0.410 175.498 175.900 0.014 0.000 1.136 393 Y CA 1.268 59.403 58.100 0.057 0.000 1.147 393 Y CB -2.177 36.364 38.460 0.134 0.000 0.987 393 Y HN 0.195 nan 8.280 nan 0.000 0.509 394 P HA -0.121 nan 4.420 nan 0.000 0.218 394 P C 1.714 179.081 177.300 0.113 0.000 1.149 394 P CA 2.156 65.332 63.100 0.127 0.000 0.817 394 P CB 0.066 31.833 31.700 0.112 0.000 0.785 395 S N -1.014 114.722 115.700 0.061 0.000 2.355 395 S HA -0.155 4.315 4.470 -0.001 0.000 0.222 395 S C 1.893 176.558 174.600 0.108 0.000 1.031 395 S CA 1.229 59.498 58.200 0.115 0.000 0.993 395 S CB -0.942 62.222 63.200 -0.059 0.000 0.859 395 S HN 0.159 nan 8.310 nan 0.000 0.453 396 M N 1.559 121.123 119.600 -0.060 0.000 2.149 396 M HA -0.192 4.288 4.480 -0.001 0.000 0.261 396 M C 1.868 178.263 176.300 0.158 0.000 1.064 396 M CA 1.727 57.015 55.300 -0.021 0.000 1.102 396 M CB -0.270 32.255 32.600 -0.126 0.000 1.369 396 M HN 0.158 nan 8.290 nan 0.000 0.408 397 D N 0.605 121.106 120.400 0.168 0.000 2.106 397 D HA -0.201 4.438 4.640 -0.001 0.000 0.191 397 D C 1.795 178.190 176.300 0.158 0.000 0.997 397 D CA 1.689 55.796 54.000 0.178 0.000 0.834 397 D CB -0.142 40.733 40.800 0.125 0.000 0.956 397 D HN 0.358 nan 8.370 nan 0.000 0.448 398 I N 0.671 121.305 120.570 0.106 0.000 2.252 398 I HA -0.185 3.985 4.170 -0.001 0.000 0.245 398 I C 2.711 178.914 176.117 0.142 0.000 1.102 398 I CA 0.500 61.816 61.300 0.026 0.000 1.385 398 I CB -1.181 36.576 38.000 -0.406 0.000 1.064 398 I HN 0.129 nan 8.210 nan 0.000 0.414 399 L N -0.483 120.913 121.223 0.288 0.000 2.017 399 L HA -0.279 4.060 4.340 -0.001 0.000 0.208 399 L C 2.737 179.862 176.870 0.425 0.000 1.073 399 L CA 1.465 56.565 54.840 0.434 0.000 0.745 399 L CB -0.877 41.436 42.059 0.425 0.000 0.894 399 L HN 0.168 nan 8.230 nan 0.000 0.432 400 Y N 1.131 121.516 120.300 0.142 0.000 2.097 400 Y HA -0.308 4.242 4.550 -0.000 0.000 0.282 400 Y C 2.601 178.561 175.900 0.099 0.000 1.152 400 Y CA 1.924 60.066 58.100 0.069 0.000 1.136 400 Y CB -0.567 37.917 38.460 0.040 0.000 0.975 400 Y HN 0.327 nan 8.280 nan 0.000 0.498 401 E N -0.891 119.409 120.200 0.167 0.000 2.058 401 E HA -0.275 4.075 4.350 -0.001 0.000 0.194 401 E C 2.543 179.215 176.600 0.120 0.000 0.997 401 E CA 1.763 58.222 56.400 0.098 0.000 0.801 401 E CB -0.595 29.198 29.700 0.156 0.000 0.746 401 E HN 0.505 nan 8.360 nan 0.000 0.450 402 C N 0.119 119.414 119.300 -0.008 0.000 2.432 402 C HA -0.179 4.281 4.460 -0.001 0.000 0.277 402 C C 2.604 177.578 174.990 -0.025 0.000 1.249 402 C CA 1.208 60.001 59.018 -0.375 0.000 1.725 402 C CB -1.427 25.860 27.740 -0.754 0.000 2.028 402 C HN 0.692 nan 8.230 nan 0.000 0.477 403 Y N 1.668 121.990 120.300 0.037 0.000 2.128 403 Y HA -0.157 4.393 4.550 -0.001 0.000 0.284 403 Y C 2.418 178.297 175.900 -0.036 0.000 1.154 403 Y CA 2.416 60.447 58.100 -0.115 0.000 1.149 403 Y CB -0.493 37.702 38.460 -0.442 0.000 0.976 403 Y HN 0.467 nan 8.280 nan 0.000 0.505 404 E N -0.538 119.788 120.200 0.209 0.000 2.150 404 E HA -0.197 4.153 4.350 -0.001 0.000 0.193 404 E C 1.599 178.227 176.600 0.046 0.000 0.985 404 E CA 1.143 57.627 56.400 0.140 0.000 0.814 404 E CB -0.123 29.649 29.700 0.119 0.000 0.752 404 E HN 0.540 nan 8.360 nan 0.000 0.466 405 D N 0.198 120.630 120.400 0.054 0.000 2.178 405 D HA -0.090 4.549 4.640 -0.001 0.000 0.202 405 D C 1.986 178.303 176.300 0.028 0.000 0.974 405 D CA 0.523 54.567 54.000 0.073 0.000 0.841 405 D CB 0.088 40.996 40.800 0.180 0.000 0.953 405 D HN 0.009 nan 8.370 nan 0.000 0.478 406 V N 1.108 120.999 119.914 -0.037 0.000 2.323 406 V HA -0.145 3.975 4.120 -0.001 0.000 0.244 406 V C 2.478 178.551 176.094 -0.036 0.000 1.041 406 V CA 1.676 63.947 62.300 -0.049 0.000 1.025 406 V CB -0.665 31.093 31.823 -0.108 0.000 0.656 406 V HN 0.163 nan 8.190 nan 0.000 0.451 407 A N 0.622 123.353 122.820 -0.148 0.000 1.969 407 A HA -0.177 4.143 4.320 -0.001 0.000 0.218 407 A C 2.487 180.083 177.584 0.021 0.000 1.169 407 A CA 2.034 54.028 52.037 -0.073 0.000 0.635 407 A CB -0.624 18.311 19.000 -0.109 0.000 0.810 407 A HN 0.675 nan 8.150 nan 0.000 0.445 408 S N -2.108 113.599 115.700 0.011 0.000 2.453 408 S HA 0.316 4.786 4.470 -0.001 0.000 0.231 408 S C 1.569 176.167 174.600 -0.002 0.000 1.005 408 S CA 1.345 59.553 58.200 0.014 0.000 0.949 408 S CB -0.197 63.013 63.200 0.016 0.000 0.774 408 S HN 1.870 nan 8.310 nan 0.000 0.510 409 G N 0.138 108.930 108.800 -0.014 0.000 2.213 409 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.226 409 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.226 409 G C 1.078 175.950 174.900 -0.045 0.000 0.992 409 G CA 0.430 45.493 45.100 -0.062 0.000 0.632 409 G HN 0.519 nan 8.290 nan 0.000 0.511 410 S N 0.385 116.082 115.700 -0.005 0.000 2.359 410 S HA -0.079 4.390 4.470 -0.001 0.000 0.224 410 S C 1.902 176.525 174.600 0.039 0.000 1.035 410 S CA 2.018 60.229 58.200 0.019 0.000 1.018 410 S CB -0.169 63.057 63.200 0.044 0.000 0.876 410 S HN 0.568 nan 8.310 nan 0.000 0.448 411 E N 1.129 121.365 120.200 0.060 0.000 2.106 411 E HA 0.008 4.357 4.350 -0.001 0.000 0.192 411 E C 1.822 178.460 176.600 0.065 0.000 0.984 411 E CA 0.815 57.278 56.400 0.105 0.000 0.806 411 E CB -0.313 29.472 29.700 0.142 0.000 0.750 411 E HN 0.511 nan 8.360 nan 0.000 0.458 412 I N 0.082 120.616 120.570 -0.060 0.000 2.226 412 I HA -0.265 3.905 4.170 -0.001 0.000 0.245 412 I C 2.449 178.529 176.117 -0.062 0.000 1.100 412 I CA 1.070 62.233 61.300 -0.228 0.000 1.374 412 I CB -0.171 37.472 38.000 -0.594 0.000 1.057 412 I HN 0.062 nan 8.210 nan 0.000 0.413 413 R N 1.052 121.533 120.500 -0.031 0.000 2.081 413 R HA -0.102 4.238 4.340 -0.001 0.000 0.235 413 R C 2.293 178.618 176.300 0.043 0.000 1.131 413 R CA 1.844 57.958 56.100 0.024 0.000 0.960 413 R CB -0.717 29.588 30.300 0.008 0.000 0.856 413 R HN 0.184 nan 8.270 nan 0.000 0.436 414 S N -0.485 115.244 115.700 0.048 0.000 2.370 414 S HA -0.114 4.355 4.470 -0.001 0.000 0.226 414 S C 1.914 176.547 174.600 0.054 0.000 1.033 414 S CA 1.414 59.642 58.200 0.047 0.000 1.011 414 S CB -0.303 62.937 63.200 0.068 0.000 0.852 414 S HN 0.155 nan 8.310 nan 0.000 0.457 415 V N 1.358 121.343 119.914 0.118 0.000 2.427 415 V HA -0.119 4.000 4.120 -0.001 0.000 0.248 415 V C 2.283 178.422 176.094 0.075 0.000 1.051 415 V CA 1.268 63.651 62.300 0.138 0.000 1.048 415 V CB -0.666 31.335 31.823 0.297 0.000 0.666 415 V HN 0.333 nan 8.190 nan 0.000 0.456 416 V N -0.093 119.893 119.914 0.120 0.000 2.295 416 V HA -0.250 3.869 4.120 -0.001 0.000 0.246 416 V C 2.288 178.362 176.094 -0.034 0.000 1.049 416 V CA 1.991 64.319 62.300 0.047 0.000 1.024 416 V CB -0.517 31.340 31.823 0.056 0.000 0.648 416 V HN 0.442 nan 8.190 nan 0.000 0.447 417 L N 0.035 121.242 121.223 -0.026 0.000 2.093 417 L HA -0.130 4.210 4.340 -0.001 0.000 0.208 417 L C 2.761 179.546 176.870 -0.142 0.000 1.085 417 L CA 1.458 56.263 54.840 -0.058 0.000 0.755 417 L CB -0.923 41.117 42.059 -0.031 0.000 0.904 417 L HN 0.370 nan 8.230 nan 0.000 0.435 418 A N 0.720 123.434 122.820 -0.176 0.000 1.908 418 A HA -0.150 4.170 4.320 -0.001 0.000 0.218 418 A C 2.431 179.546 177.584 -0.780 0.000 1.181 418 A CA 1.788 53.631 52.037 -0.324 0.000 0.627 418 A CB -1.267 17.612 19.000 -0.202 0.000 0.818 418 A HN 0.441 nan 8.150 nan 0.000 0.445 419 G N -0.406 107.990 108.800 -0.673 0.000 2.442 419 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.219 419 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.219 419 G C 1.745 176.319 174.900 -0.543 0.000 1.141 419 G CA 0.975 45.588 45.100 -0.811 0.000 0.763 419 G HN 0.620 nan 8.290 nan 0.000 0.554 420 R N -0.134 120.210 120.500 -0.260 0.000 2.115 420 R HA 0.080 4.420 4.340 -0.001 0.000 0.226 420 R C 2.512 178.784 176.300 -0.048 0.000 1.100 420 R CA 0.643 56.715 56.100 -0.048 0.000 0.980 420 R CB -0.205 30.089 30.300 -0.009 0.000 0.875 420 R HN 0.246 nan 8.270 nan 0.000 0.445 421 R N 0.076 120.476 120.500 -0.166 0.000 2.339 421 R HA -0.014 4.325 4.340 -0.001 0.000 0.199 421 R C 0.960 177.286 176.300 0.044 0.000 1.018 421 R CA 0.446 56.535 56.100 -0.018 0.000 1.036 421 R CB -0.010 30.297 30.300 0.011 0.000 0.899 421 R HN 0.131 nan 8.270 nan 0.000 0.473 422 F N -0.446 119.371 119.950 -0.222 0.000 2.699 422 F HA 0.006 4.533 4.527 -0.000 0.000 0.298 422 F C 0.260 175.585 175.800 -0.791 0.000 1.154 422 F CA 0.069 57.751 58.000 -0.529 0.000 1.457 422 F CB -0.386 38.148 39.000 -0.777 0.000 1.106 422 F HN -0.127 nan 8.300 nan 0.000 0.585 423 Y N -1.149 119.258 120.300 0.180 0.000 2.602 423 Y HA 0.404 4.953 4.550 -0.001 0.000 0.342 423 Y C 0.354 176.290 175.900 0.060 0.000 1.029 423 Y CA -2.213 55.942 58.100 0.093 0.000 1.080 423 Y CB 0.530 39.035 38.460 0.076 0.000 1.284 423 Y HN -0.208 nan 8.280 nan 0.000 0.485 424 E N 2.334 122.651 120.200 0.196 0.000 2.384 424 E HA 0.304 4.653 4.350 -0.001 0.000 0.266 424 E C -0.807 175.859 176.600 0.110 0.000 1.012 424 E CA -0.139 56.325 56.400 0.108 0.000 0.901 424 E CB 0.627 30.364 29.700 0.063 0.000 0.967 424 E HN 0.547 nan 8.360 nan 0.000 0.435 425 K N 0.672 121.127 120.400 0.092 0.000 2.597 425 K HA 0.236 4.556 4.320 -0.001 0.000 0.282 425 K C -0.657 175.981 176.600 0.063 0.000 0.975 425 K CA -0.888 55.442 56.287 0.073 0.000 0.867 425 K CB 1.209 33.755 32.500 0.078 0.000 1.465 425 K HN 0.371 nan 8.250 nan 0.000 0.417 426 E N -0.125 120.103 120.200 0.046 0.000 2.883 426 E HA -0.287 4.063 4.350 -0.001 0.000 0.271 426 E C 0.559 177.183 176.600 0.040 0.000 1.049 426 E CA 0.874 57.298 56.400 0.039 0.000 0.817 426 E CB -1.811 27.912 29.700 0.039 0.000 1.407 426 E HN 1.191 nan 8.360 nan 0.000 0.434 427 G N -0.466 108.358 108.800 0.040 0.000 2.148 427 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.254 427 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.254 427 G C 0.175 175.105 174.900 0.050 0.000 0.981 427 G CA 0.747 45.870 45.100 0.037 0.000 0.670 427 G HN 0.264 nan 8.290 nan 0.000 0.528 428 L N 0.005 121.270 121.223 0.070 0.000 2.313 428 L HA 0.627 4.966 4.340 -0.001 0.000 0.268 428 L C -1.854 175.070 176.870 0.090 0.000 1.010 428 L CA -2.651 52.254 54.840 0.109 0.000 0.814 428 L CB 1.654 43.806 42.059 0.155 0.000 1.304 428 L HN -0.124 nan 8.230 nan 0.000 0.441 429 P HA 0.212 nan 4.420 nan 0.000 0.274 429 P C -1.148 175.983 177.300 -0.282 0.000 1.256 429 P CA -0.467 62.531 63.100 -0.170 0.000 0.795 429 P CB 0.564 32.039 31.700 -0.376 0.000 1.038 430 A N 0.542 123.144 122.820 -0.363 0.000 2.316 430 A HA 0.567 4.886 4.320 -0.001 0.000 0.284 430 A C -0.852 176.380 177.584 -0.587 0.000 1.115 430 A CA -0.157 51.734 52.037 -0.244 0.000 0.812 430 A CB -0.390 18.547 19.000 -0.106 0.000 1.064 430 A HN 0.435 nan 8.150 nan 0.000 0.489 431 F N 2.560 122.535 119.950 0.040 0.000 2.622 431 F HA 0.282 4.808 4.527 -0.001 0.000 0.338 431 F C -2.032 173.830 175.800 0.102 0.000 1.334 431 F CA -1.635 56.398 58.000 0.055 0.000 1.179 431 F CB 1.165 40.198 39.000 0.055 0.000 1.471 431 F HN 0.370 nan 8.300 nan 0.000 0.576 432 P HA 0.113 nan 4.420 nan 0.000 0.272 432 P C 0.057 177.284 177.300 -0.123 0.000 1.240 432 P CA -0.305 62.675 63.100 -0.200 0.000 0.791 432 P CB 1.029 32.565 31.700 -0.273 0.000 0.978 433 M N 0.530 119.963 119.600 -0.279 0.000 2.249 433 M HA 0.203 4.683 4.480 -0.001 0.000 0.340 433 M C 1.199 177.453 176.300 -0.077 0.000 1.166 433 M CA 0.655 55.891 55.300 -0.107 0.000 1.115 433 M CB 0.168 32.685 32.600 -0.138 0.000 1.606 433 M HN 0.487 nan 8.290 nan 0.000 0.448 434 G N 2.475 111.265 108.800 -0.017 0.000 2.642 434 G HA2 0.472 4.432 3.960 -0.001 0.000 0.291 434 G HA3 0.472 4.432 3.960 -0.001 0.000 0.291 434 G C -0.893 173.996 174.900 -0.019 0.000 1.345 434 G CA -0.809 44.284 45.100 -0.012 0.000 1.043 434 G HN 0.623 nan 8.290 nan 0.000 0.528 435 K N -0.166 120.227 120.400 -0.011 0.000 2.174 435 K HA 0.312 4.631 4.320 -0.001 0.000 0.275 435 K C 0.612 177.208 176.600 -0.006 0.000 1.015 435 K CA -0.250 56.024 56.287 -0.020 0.000 0.933 435 K CB 1.977 34.468 32.500 -0.015 0.000 1.025 435 K HN 0.493 nan 8.250 nan 0.000 0.463 436 I N -1.467 119.078 120.570 -0.042 0.000 4.082 436 I HA 0.117 4.287 4.170 -0.001 0.000 0.337 436 I C 0.228 176.282 176.117 -0.105 0.000 1.352 436 I CA -0.154 61.130 61.300 -0.027 0.000 1.097 436 I CB 0.285 38.262 38.000 -0.039 0.000 1.048 436 I HN 0.446 nan 8.210 nan 0.000 0.393 437 D N 0.110 120.433 120.400 -0.129 0.000 2.623 437 D HA 0.041 4.681 4.640 -0.001 0.000 0.252 437 D C 0.960 177.323 176.300 0.105 0.000 1.294 437 D CA -0.080 53.830 54.000 -0.150 0.000 0.824 437 D CB 0.148 40.767 40.800 -0.303 0.000 1.070 437 D HN 0.250 nan 8.370 nan 0.000 0.487 438 Q N 0.515 120.383 119.800 0.114 0.000 2.247 438 Q HA 0.120 4.460 4.340 -0.001 0.000 0.204 438 Q C 0.665 176.743 176.000 0.130 0.000 0.872 438 Q CA 0.253 56.119 55.803 0.104 0.000 0.951 438 Q CB 0.814 29.587 28.738 0.058 0.000 1.099 438 Q HN 0.514 nan 8.270 nan 0.000 0.501 439 T N -3.130 111.549 114.554 0.208 0.000 2.824 439 T HA 0.279 4.628 4.350 -0.001 0.000 0.277 439 T C 1.260 176.009 174.700 0.081 0.000 0.975 439 T CA -0.707 61.489 62.100 0.161 0.000 0.966 439 T CB 1.888 70.880 68.868 0.207 0.000 1.054 439 T HN 0.050 nan 8.240 nan 0.000 0.533 440 R N 0.485 120.994 120.500 0.014 0.000 2.143 440 R HA -0.232 4.107 4.340 -0.001 0.000 0.239 440 R C 2.499 178.670 176.300 -0.216 0.000 1.126 440 R CA 2.658 58.733 56.100 -0.042 0.000 0.927 440 R CB -0.803 29.514 30.300 0.028 0.000 0.860 440 R HN 0.941 nan 8.270 nan 0.000 0.433 441 M N -1.533 117.741 119.600 -0.544 0.000 2.279 441 M HA -0.125 4.355 4.480 -0.001 0.000 0.264 441 M C 1.518 177.277 176.300 -0.902 0.000 1.062 441 M CA 1.783 56.397 55.300 -1.144 0.000 1.099 441 M CB -0.520 30.860 32.600 -2.033 0.000 1.394 441 M HN 0.196 nan 8.290 nan 0.000 0.426 442 W N 1.246 122.463 121.300 -0.138 0.000 2.476 442 W HA 0.093 4.752 4.660 -0.001 0.000 0.281 442 W C 2.306 178.743 176.519 -0.138 0.000 1.230 442 W CA -0.070 57.226 57.345 -0.081 0.000 1.287 442 W CB -0.126 29.314 29.460 -0.034 0.000 1.108 442 W HN 0.047 nan 8.180 nan 0.000 0.567 443 K N 0.396 120.798 120.400 0.002 0.000 2.097 443 K HA -0.077 4.242 4.320 -0.001 0.000 0.205 443 K C 1.830 178.355 176.600 -0.126 0.000 1.050 443 K CA 0.900 57.166 56.287 -0.035 0.000 0.938 443 K CB -1.006 31.486 32.500 -0.014 0.000 0.718 443 K HN 0.144 nan 8.250 nan 0.000 0.442 444 V N 0.886 120.681 119.914 -0.199 0.000 2.343 444 V HA -0.173 3.947 4.120 -0.001 0.000 0.247 444 V C 2.433 178.229 176.094 -0.497 0.000 1.051 444 V CA 2.155 64.308 62.300 -0.245 0.000 1.036 444 V CB -0.965 30.767 31.823 -0.151 0.000 0.654 444 V HN 0.405 nan 8.190 nan 0.000 0.451 445 G N -0.480 107.840 108.800 -0.800 0.000 2.440 445 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.218 445 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.218 445 G C 1.431 176.038 174.900 -0.489 0.000 1.154 445 G CA 0.960 45.329 45.100 -1.218 0.000 0.767 445 G HN 0.583 nan 8.290 nan 0.000 0.552 446 E N 0.352 120.402 120.200 -0.250 0.000 2.110 446 E HA -0.108 4.242 4.350 -0.001 0.000 0.193 446 E C 2.532 179.040 176.600 -0.153 0.000 0.988 446 E CA 1.008 57.319 56.400 -0.148 0.000 0.804 446 E CB -0.069 29.578 29.700 -0.089 0.000 0.745 446 E HN 0.412 nan 8.360 nan 0.000 0.458 447 K N 0.447 120.745 120.400 -0.171 0.000 2.025 447 K HA -0.098 4.221 4.320 -0.001 0.000 0.207 447 K C 2.239 178.759 176.600 -0.133 0.000 1.049 447 K CA 1.071 57.281 56.287 -0.128 0.000 0.933 447 K CB -0.144 32.291 32.500 -0.108 0.000 0.714 447 K HN -0.039 nan 8.250 nan 0.000 0.438 448 V N 1.747 121.540 119.914 -0.202 0.000 2.255 448 V HA -0.282 3.838 4.120 -0.001 0.000 0.247 448 V C 2.235 178.270 176.094 -0.098 0.000 1.051 448 V CA 1.797 64.010 62.300 -0.145 0.000 1.018 448 V CB -0.494 31.206 31.823 -0.205 0.000 0.641 448 V HN 0.295 nan 8.190 nan 0.000 0.445 449 R N 0.629 121.052 120.500 -0.128 0.000 2.148 449 R HA -0.120 4.220 4.340 -0.001 0.000 0.227 449 R C 2.505 178.761 176.300 -0.073 0.000 1.103 449 R CA 1.487 57.532 56.100 -0.093 0.000 0.983 449 R CB -0.516 29.719 30.300 -0.108 0.000 0.874 449 R HN 0.714 nan 8.270 nan 0.000 0.451 450 S N 0.400 116.055 115.700 -0.076 0.000 2.442 450 S HA -0.076 4.394 4.470 -0.001 0.000 0.236 450 S C 1.754 176.330 174.600 -0.040 0.000 1.007 450 S CA 1.107 59.273 58.200 -0.057 0.000 0.965 450 S CB -0.041 63.124 63.200 -0.058 0.000 0.773 450 S HN 0.255 nan 8.310 nan 0.000 0.504 451 V N -2.248 117.645 119.914 -0.035 0.000 3.253 451 V HA 0.478 4.598 4.120 -0.001 0.000 0.320 451 V C 0.434 176.523 176.094 -0.009 0.000 1.442 451 V CA -0.730 61.558 62.300 -0.020 0.000 1.097 451 V CB -0.785 31.027 31.823 -0.018 0.000 1.008 451 V HN 0.336 nan 8.190 nan 0.000 0.463 452 R N 3.277 123.770 120.500 -0.011 0.000 2.347 452 R HA 0.407 4.747 4.340 -0.001 0.000 0.304 452 R C -2.058 174.252 176.300 0.016 0.000 1.072 452 R CA -1.133 54.970 56.100 0.006 0.000 0.980 452 R CB 0.737 31.036 30.300 -0.002 0.000 0.986 452 R HN 0.419 nan 8.270 nan 0.000 0.448 453 P HA 0.133 nan 4.420 nan 0.000 0.276 453 P C -1.070 176.255 177.300 0.042 0.000 1.244 453 P CA -0.506 62.612 63.100 0.029 0.000 0.801 453 P CB 1.046 32.763 31.700 0.029 0.000 1.006 454 A N 0.828 123.669 122.820 0.036 0.000 2.511 454 A HA 0.423 4.743 4.320 -0.001 0.000 0.242 454 A C 1.443 179.055 177.584 0.046 0.000 1.069 454 A CA 0.721 52.784 52.037 0.042 0.000 0.763 454 A CB -1.249 17.769 19.000 0.031 0.000 1.001 454 A HN 0.956 nan 8.150 nan 0.000 0.498 455 G N 1.189 110.022 108.800 0.055 0.000 2.199 455 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.254 455 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.254 455 G C 0.208 175.144 174.900 0.060 0.000 0.982 455 G CA 0.395 45.523 45.100 0.047 0.000 0.632 455 G HN 1.040 nan 8.290 nan 0.000 0.529 456 D N 0.999 121.452 120.400 0.088 0.000 2.401 456 D HA 0.305 4.944 4.640 -0.001 0.000 0.254 456 D C 1.539 177.933 176.300 0.157 0.000 1.192 456 D CA 0.281 54.347 54.000 0.109 0.000 0.885 456 D CB 0.658 41.524 40.800 0.110 0.000 1.147 456 D HN 0.455 nan 8.370 nan 0.000 0.478 457 L N 1.912 123.199 121.223 0.107 0.000 2.857 457 L HA 0.462 4.801 4.340 -0.001 0.000 0.249 457 L C 0.922 177.865 176.870 0.122 0.000 1.172 457 L CA -0.265 54.617 54.840 0.070 0.000 0.980 457 L CB -0.268 41.793 42.059 0.003 0.000 1.299 457 L HN 0.520 nan 8.230 nan 0.000 0.535 458 G N 0.413 109.306 108.800 0.154 0.000 2.860 458 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.553 458 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.553 458 G C -2.807 172.154 174.900 0.103 0.000 1.439 458 G CA -0.331 44.850 45.100 0.135 0.000 0.879 458 G HN 0.360 nan 8.290 nan 0.000 0.545 459 P HA 0.531 nan 4.420 nan 0.000 0.281 459 P C -0.671 176.707 177.300 0.130 0.000 1.264 459 P CA -0.695 62.470 63.100 0.108 0.000 0.824 459 P CB 1.543 33.309 31.700 0.110 0.000 1.092 460 L N 2.528 123.832 121.223 0.136 0.000 2.321 460 L HA 0.340 4.679 4.340 -0.001 0.000 0.272 460 L C -1.114 175.876 176.870 0.200 0.000 1.050 460 L CA -0.925 54.005 54.840 0.150 0.000 0.893 460 L CB -0.882 41.239 42.059 0.104 0.000 1.272 460 L HN 0.210 nan 8.230 nan 0.000 0.435 461 Y N 7.106 127.463 120.300 0.095 0.000 2.477 461 Y HA 0.366 4.915 4.550 -0.001 0.000 0.349 461 Y C -1.623 174.377 175.900 0.166 0.000 0.977 461 Y CA -2.014 56.148 58.100 0.103 0.000 1.214 461 Y CB 0.965 39.482 38.460 0.095 0.000 1.124 461 Y HN 0.573 nan 8.280 nan 0.000 0.521 462 P HA -0.276 nan 4.420 nan 0.000 0.216 462 P C 1.482 178.884 177.300 0.171 0.000 1.154 462 P CA 1.613 64.779 63.100 0.111 0.000 0.865 462 P CB -0.024 31.697 31.700 0.034 0.000 0.789 463 F N 0.017 119.940 119.950 -0.045 0.000 2.134 463 F HA -0.202 4.324 4.527 -0.001 0.000 0.299 463 F C 2.087 178.017 175.800 0.217 0.000 1.097 463 F CA 1.794 59.855 58.000 0.102 0.000 1.264 463 F CB -0.984 38.113 39.000 0.163 0.000 1.001 463 F HN -0.121 nan 8.300 nan 0.000 0.479 464 T N 0.237 115.112 114.554 0.534 0.000 2.746 464 T HA -0.184 4.165 4.350 -0.001 0.000 0.267 464 T C 2.201 177.013 174.700 0.186 0.000 1.039 464 T CA 1.279 63.608 62.100 0.381 0.000 1.142 464 T CB -0.775 68.356 68.868 0.438 0.000 0.866 464 T HN 0.357 nan 8.240 nan 0.000 0.444 465 A N 1.462 124.402 122.820 0.199 0.000 1.877 465 A HA 0.090 4.410 4.320 -0.001 0.000 0.216 465 A C 2.651 180.195 177.584 -0.068 0.000 1.186 465 A CA 1.899 54.066 52.037 0.216 0.000 0.620 465 A CB -1.409 17.822 19.000 0.385 0.000 0.822 465 A HN 0.511 nan 8.150 nan 0.000 0.443 466 G N -0.603 107.924 108.800 -0.454 0.000 2.440 466 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.218 466 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.218 466 G C 1.503 176.046 174.900 -0.595 0.000 1.154 466 G CA 1.347 45.799 45.100 -1.080 0.000 0.767 466 G HN 0.340 nan 8.290 nan 0.000 0.552 467 V N -0.337 119.343 119.914 -0.391 0.000 2.307 467 V HA -0.158 3.962 4.120 -0.001 0.000 0.245 467 V C 2.268 178.281 176.094 -0.135 0.000 1.045 467 V CA 1.670 63.815 62.300 -0.258 0.000 1.024 467 V CB -0.739 30.999 31.823 -0.142 0.000 0.651 467 V HN 0.434 nan 8.190 nan 0.000 0.449 468 Y N 0.844 121.058 120.300 -0.143 0.000 2.145 468 Y HA -0.200 4.350 4.550 -0.001 0.000 0.286 468 Y C 2.386 178.244 175.900 -0.069 0.000 1.145 468 Y CA 1.796 59.850 58.100 -0.076 0.000 1.148 468 Y CB -0.326 38.136 38.460 0.002 0.000 0.981 468 Y HN 0.039 nan 8.280 nan 0.000 0.507 469 V N 0.178 120.064 119.914 -0.046 0.000 2.427 469 V HA -0.271 3.849 4.120 -0.001 0.000 0.248 469 V C 2.621 178.635 176.094 -0.134 0.000 1.051 469 V CA 1.535 63.820 62.300 -0.024 0.000 1.048 469 V CB -1.512 30.447 31.823 0.227 0.000 0.666 469 V HN 0.537 nan 8.190 nan 0.000 0.456 470 A N -0.243 122.344 122.820 -0.389 0.000 1.902 470 A HA -0.202 4.118 4.320 -0.001 0.000 0.217 470 A C 2.238 179.576 177.584 -0.410 0.000 1.181 470 A CA 2.071 53.640 52.037 -0.780 0.000 0.623 470 A CB -0.526 17.911 19.000 -0.939 0.000 0.818 470 A HN 0.490 nan 8.150 nan 0.000 0.443 471 L N -1.203 119.811 121.223 -0.348 0.000 2.093 471 L HA -0.127 4.213 4.340 -0.001 0.000 0.208 471 L C 2.654 179.354 176.870 -0.283 0.000 1.085 471 L CA 1.830 56.482 54.840 -0.314 0.000 0.755 471 L CB -0.184 41.692 42.059 -0.304 0.000 0.904 471 L HN 0.582 nan 8.230 nan 0.000 0.435 472 M N -1.264 118.154 119.600 -0.304 0.000 2.086 472 M HA -0.264 4.216 4.480 -0.001 0.000 0.261 472 M C 2.119 178.382 176.300 -0.061 0.000 1.067 472 M CA 1.805 56.974 55.300 -0.218 0.000 1.116 472 M CB 0.017 32.473 32.600 -0.240 0.000 1.348 472 M HN 0.239 nan 8.290 nan 0.000 0.407 473 M N -0.028 119.584 119.600 0.020 0.000 2.175 473 M HA -0.068 4.412 4.480 -0.001 0.000 0.264 473 M C 2.403 178.766 176.300 0.104 0.000 1.063 473 M CA 1.658 57.063 55.300 0.175 0.000 1.119 473 M CB -1.579 31.264 32.600 0.405 0.000 1.377 473 M HN 0.492 nan 8.290 nan 0.000 0.415 474 A N -0.365 122.359 122.820 -0.160 0.000 1.930 474 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 474 A C 2.138 179.631 177.584 -0.151 0.000 1.175 474 A CA 1.742 53.518 52.037 -0.435 0.000 0.627 474 A CB -0.744 17.826 19.000 -0.717 0.000 0.815 474 A HN 0.597 nan 8.150 nan 0.000 0.443 475 Q N -0.410 119.349 119.800 -0.068 0.000 2.119 475 Q HA -0.115 4.225 4.340 -0.001 0.000 0.201 475 Q C 1.894 177.939 176.000 0.076 0.000 0.972 475 Q CA 1.520 57.367 55.803 0.074 0.000 0.847 475 Q CB -0.244 28.502 28.738 0.012 0.000 0.903 475 Q HN 0.696 nan 8.270 nan 0.000 0.433 476 I N 0.678 121.270 120.570 0.038 0.000 2.226 476 I HA -0.262 3.908 4.170 -0.001 0.000 0.245 476 I C 2.349 178.465 176.117 -0.001 0.000 1.100 476 I CA 1.408 62.732 61.300 0.040 0.000 1.374 476 I CB -0.162 37.885 38.000 0.077 0.000 1.057 476 I HN 0.289 nan 8.210 nan 0.000 0.413 477 E N 1.231 121.434 120.200 0.006 0.000 2.106 477 E HA -0.187 4.163 4.350 -0.001 0.000 0.192 477 E C 2.116 178.640 176.600 -0.126 0.000 0.984 477 E CA 1.319 57.705 56.400 -0.023 0.000 0.806 477 E CB -0.048 29.684 29.700 0.054 0.000 0.750 477 E HN 0.273 nan 8.360 nan 0.000 0.458 478 I N 0.602 121.077 120.570 -0.158 0.000 2.179 478 I HA -0.250 3.919 4.170 -0.001 0.000 0.242 478 I C 2.332 178.206 176.117 -0.407 0.000 1.088 478 I CA 1.157 62.270 61.300 -0.310 0.000 1.357 478 I CB -0.971 36.873 38.000 -0.260 0.000 1.051 478 I HN 0.255 nan 8.210 nan 0.000 0.409 479 L N -0.172 120.879 121.223 -0.286 0.000 2.083 479 L HA -0.209 4.130 4.340 -0.001 0.000 0.209 479 L C 2.759 179.537 176.870 -0.152 0.000 1.083 479 L CA 1.086 55.776 54.840 -0.250 0.000 0.752 479 L CB -0.549 41.419 42.059 -0.153 0.000 0.899 479 L HN 0.195 nan 8.230 nan 0.000 0.433 480 R N 0.272 120.662 120.500 -0.183 0.000 2.070 480 R HA -0.139 4.200 4.340 -0.001 0.000 0.233 480 R C 2.324 178.503 176.300 -0.202 0.000 1.137 480 R CA 1.266 57.237 56.100 -0.215 0.000 0.945 480 R CB 0.051 30.241 30.300 -0.183 0.000 0.845 480 R HN 0.047 nan 8.270 nan 0.000 0.430 481 K N 0.460 120.735 120.400 -0.208 0.000 2.283 481 K HA -0.068 4.252 4.320 -0.001 0.000 0.202 481 K C 1.290 177.746 176.600 -0.240 0.000 1.048 481 K CA 0.908 57.070 56.287 -0.209 0.000 0.948 481 K CB 0.156 32.520 32.500 -0.227 0.000 0.742 481 K HN 0.082 nan 8.250 nan 0.000 0.458 482 K N -0.042 120.172 120.400 -0.309 0.000 2.437 482 K HA 0.071 4.390 4.320 -0.001 0.000 0.198 482 K C 0.536 176.998 176.600 -0.229 0.000 1.024 482 K CA 0.348 56.434 56.287 -0.336 0.000 1.148 482 K CB 0.269 32.311 32.500 -0.764 0.000 0.860 482 K HN 0.338 nan 8.250 nan 0.000 0.515 483 G N 2.124 110.800 108.800 -0.207 0.000 2.160 483 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.244 483 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.244 483 G C -0.108 174.616 174.900 -0.293 0.000 1.022 483 G CA -0.016 44.943 45.100 -0.236 0.000 0.741 483 G HN 0.440 nan 8.290 nan 0.000 0.508 484 H N 0.394 119.366 119.070 -0.164 0.000 2.488 484 H HA 0.523 5.079 4.556 -0.001 0.000 0.347 484 H C 1.128 176.355 175.328 -0.168 0.000 1.174 484 H CA 0.320 56.301 56.048 -0.112 0.000 1.307 484 H CB 1.529 31.252 29.762 -0.065 0.000 1.517 484 H HN 0.482 nan 8.280 nan 0.000 0.554 485 S N 1.046 116.764 115.700 0.030 0.000 2.593 485 S HA -0.015 4.455 4.470 -0.001 0.000 0.269 485 S C 0.995 175.566 174.600 -0.049 0.000 1.334 485 S CA -0.489 57.699 58.200 -0.020 0.000 1.015 485 S CB 0.519 63.775 63.200 0.094 0.000 0.912 485 S HN 0.507 nan 8.310 nan 0.000 0.541 486 Y N 1.922 122.209 120.300 -0.022 0.000 2.224 486 Y HA -0.094 4.455 4.550 -0.001 0.000 0.289 486 Y C 3.016 178.864 175.900 -0.087 0.000 1.146 486 Y CA 1.794 59.875 58.100 -0.033 0.000 1.182 486 Y CB -0.896 37.562 38.460 -0.003 0.000 0.983 486 Y HN 0.739 nan 8.280 nan 0.000 0.524 487 S N -0.428 115.279 115.700 0.011 0.000 2.359 487 S HA -0.267 4.202 4.470 -0.001 0.000 0.224 487 S C 2.002 176.219 174.600 -0.638 0.000 1.035 487 S CA 1.655 59.672 58.200 -0.305 0.000 1.018 487 S CB -0.305 62.653 63.200 -0.404 0.000 0.876 487 S HN 0.563 nan 8.310 nan 0.000 0.448 488 E N 0.719 120.691 120.200 -0.380 0.000 2.046 488 E HA -0.068 4.281 4.350 -0.001 0.000 0.190 488 E C 1.990 178.587 176.600 -0.004 0.000 0.982 488 E CA 0.831 57.186 56.400 -0.074 0.000 0.800 488 E CB -0.162 29.693 29.700 0.258 0.000 0.756 488 E HN 0.458 nan 8.360 nan 0.000 0.449 489 I N 0.892 121.465 120.570 0.004 0.000 2.127 489 I HA -0.316 3.853 4.170 -0.001 0.000 0.241 489 I C 2.358 178.504 176.117 0.048 0.000 1.075 489 I CA 1.206 62.519 61.300 0.022 0.000 1.334 489 I CB -0.257 37.740 38.000 -0.005 0.000 1.040 489 I HN 0.228 nan 8.210 nan 0.000 0.405 490 I N 0.476 121.083 120.570 0.062 0.000 2.286 490 I HA -0.290 3.880 4.170 -0.001 0.000 0.248 490 I C 2.251 178.398 176.117 0.049 0.000 1.115 490 I CA 1.287 62.629 61.300 0.070 0.000 1.392 490 I CB -0.545 37.507 38.000 0.086 0.000 1.065 490 I HN 0.326 nan 8.210 nan 0.000 0.418 491 N N 0.450 119.156 118.700 0.011 0.000 2.171 491 N HA -0.191 4.548 4.740 -0.001 0.000 0.184 491 N C 1.849 177.392 175.510 0.055 0.000 1.021 491 N CA 1.157 54.232 53.050 0.041 0.000 0.854 491 N CB -0.036 38.490 38.487 0.066 0.000 0.994 491 N HN 0.289 nan 8.380 nan 0.000 0.426 492 E N 0.633 120.868 120.200 0.058 0.000 2.208 492 E HA 0.053 4.403 4.350 -0.001 0.000 0.193 492 E C 1.188 177.794 176.600 0.009 0.000 0.988 492 E CA 0.913 57.339 56.400 0.043 0.000 0.828 492 E CB 0.150 29.889 29.700 0.064 0.000 0.763 492 E HN 0.131 nan 8.360 nan 0.000 0.478 493 S N -1.713 113.999 115.700 0.021 0.000 2.505 493 S HA 0.173 4.643 4.470 -0.001 0.000 0.216 493 S C 1.212 175.816 174.600 0.006 0.000 1.018 493 S CA 0.218 58.417 58.200 -0.002 0.000 0.911 493 S CB 1.101 64.312 63.200 0.018 0.000 0.818 493 S HN 0.095 nan 8.310 nan 0.000 0.497 494 V N 0.728 120.668 119.914 0.043 0.000 3.658 494 V HA 0.247 4.367 4.120 -0.001 0.000 0.197 494 V C 1.721 177.867 176.094 0.087 0.000 1.295 494 V CA -0.048 62.294 62.300 0.071 0.000 1.298 494 V CB -0.674 31.203 31.823 0.091 0.000 1.347 494 V HN 0.238 nan 8.190 nan 0.000 0.548 495 I N 1.066 121.687 120.570 0.085 0.000 2.118 495 I HA -0.314 3.855 4.170 -0.001 0.000 0.241 495 I C 2.566 178.729 176.117 0.077 0.000 1.070 495 I CA 2.550 63.903 61.300 0.089 0.000 1.327 495 I CB -0.281 37.776 38.000 0.094 0.000 1.034 495 I HN 0.505 nan 8.210 nan 0.000 0.405 496 E N 1.107 121.342 120.200 0.059 0.000 2.085 496 E HA -0.272 4.078 4.350 -0.001 0.000 0.194 496 E C 2.239 178.875 176.600 0.060 0.000 0.994 496 E CA 1.493 57.920 56.400 0.045 0.000 0.801 496 E CB -0.069 29.643 29.700 0.020 0.000 0.743 496 E HN 0.497 nan 8.360 nan 0.000 0.453 497 A N 0.644 123.507 122.820 0.072 0.000 1.877 497 A HA -0.178 4.142 4.320 -0.001 0.000 0.216 497 A C 2.453 180.117 177.584 0.133 0.000 1.186 497 A CA 2.125 54.226 52.037 0.106 0.000 0.620 497 A CB -0.969 18.114 19.000 0.137 0.000 0.822 497 A HN 0.356 nan 8.150 nan 0.000 0.443 498 V N -2.770 117.225 119.914 0.136 0.000 2.591 498 V HA -0.056 4.064 4.120 -0.001 0.000 0.249 498 V C 1.467 177.625 176.094 0.107 0.000 1.053 498 V CA 2.202 64.579 62.300 0.129 0.000 1.068 498 V CB -0.593 31.313 31.823 0.138 0.000 0.689 498 V HN 0.365 nan 8.190 nan 0.000 0.462 499 D N -0.138 120.323 120.400 0.102 0.000 2.327 499 D HA 0.105 4.745 4.640 -0.001 0.000 0.205 499 D C 2.176 178.549 176.300 0.121 0.000 0.989 499 D CA 1.426 55.485 54.000 0.097 0.000 0.873 499 D CB 0.937 41.788 40.800 0.085 0.000 0.955 499 D HN 0.556 nan 8.370 nan 0.000 0.515 500 S N -0.848 114.927 115.700 0.124 0.000 2.748 500 S HA 0.153 4.622 4.470 -0.001 0.000 0.241 500 S C 1.787 176.514 174.600 0.211 0.000 1.064 500 S CA -0.130 58.159 58.200 0.148 0.000 0.892 500 S CB -0.024 63.211 63.200 0.058 0.000 0.810 500 S HN 0.010 nan 8.310 nan 0.000 0.555 501 L N 1.627 122.934 121.223 0.140 0.000 2.130 501 L HA 0.160 4.499 4.340 -0.001 0.000 0.200 501 L C 2.261 179.274 176.870 0.239 0.000 1.075 501 L CA 0.655 55.576 54.840 0.136 0.000 0.768 501 L CB -0.841 41.243 42.059 0.042 0.000 0.933 501 L HN 0.232 nan 8.230 nan 0.000 0.451 502 N N 0.401 119.211 118.700 0.184 0.000 2.137 502 N HA -0.151 4.588 4.740 -0.001 0.000 0.190 502 N C -0.810 174.827 175.510 0.212 0.000 1.017 502 N CA 1.494 54.646 53.050 0.171 0.000 0.859 502 N CB -1.386 37.168 38.487 0.112 0.000 1.002 502 N HN 0.226 nan 8.380 nan 0.000 0.428 503 P HA -0.058 nan 4.420 nan 0.000 0.219 503 P C 1.073 178.450 177.300 0.127 0.000 1.146 503 P CA 0.854 64.032 63.100 0.131 0.000 0.808 503 P CB -0.079 31.655 31.700 0.057 0.000 0.779 504 F N -1.769 118.282 119.950 0.170 0.000 2.206 504 F HA 0.005 4.531 4.527 -0.001 0.000 0.298 504 F C 2.487 178.461 175.800 0.289 0.000 1.090 504 F CA 1.159 59.295 58.000 0.227 0.000 1.323 504 F CB -0.881 38.136 39.000 0.027 0.000 1.028 504 F HN -0.153 nan 8.300 nan 0.000 0.492 505 M N -1.047 118.760 119.600 0.345 0.000 2.254 505 M HA -0.196 4.284 4.480 -0.001 0.000 0.265 505 M C 2.499 178.941 176.300 0.236 0.000 1.066 505 M CA 1.549 56.993 55.300 0.240 0.000 1.123 505 M CB -0.465 32.230 32.600 0.159 0.000 1.388 505 M HN 0.182 nan 8.290 nan 0.000 0.425 506 H N 0.133 119.294 119.070 0.152 0.000 2.353 506 H HA -0.091 4.465 4.556 -0.001 0.000 0.300 506 H C 1.759 177.150 175.328 0.105 0.000 1.090 506 H CA 1.908 58.028 56.048 0.120 0.000 1.327 506 H CB 0.100 29.910 29.762 0.079 0.000 1.383 506 H HN 0.521 nan 8.280 nan 0.000 0.508 507 A N 0.552 123.471 122.820 0.165 0.000 1.902 507 A HA -0.093 4.227 4.320 -0.001 0.000 0.217 507 A C 2.089 179.616 177.584 -0.095 0.000 1.181 507 A CA 1.542 53.611 52.037 0.052 0.000 0.623 507 A CB -0.074 18.992 19.000 0.110 0.000 0.818 507 A HN 0.414 nan 8.150 nan 0.000 0.443 508 R N -2.276 118.202 120.500 -0.038 0.000 2.481 508 R HA 0.367 4.706 4.340 -0.001 0.000 0.396 508 R C 0.141 176.436 176.300 -0.007 0.000 0.950 508 R CA 0.427 56.417 56.100 -0.183 0.000 1.095 508 R CB 0.020 29.887 30.300 -0.723 0.000 1.472 508 R HN 1.022 nan 8.270 nan 0.000 0.628 509 G N -0.240 108.637 108.800 0.128 0.000 2.757 509 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.638 509 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.638 509 G C 0.399 175.225 174.900 -0.124 0.000 1.344 509 G CA -0.332 44.849 45.100 0.136 0.000 0.855 509 G HN 0.061 nan 8.290 nan 0.000 0.537 510 V N 0.287 119.782 119.914 -0.697 0.000 2.392 510 V HA -0.095 4.024 4.120 -0.001 0.000 0.249 510 V C 2.955 178.769 176.094 -0.466 0.000 1.059 510 V CA 3.687 65.525 62.300 -0.770 0.000 1.051 510 V CB -0.314 30.613 31.823 -1.493 0.000 0.658 510 V HN 1.591 nan 8.190 nan 0.000 0.455 511 S N -1.196 114.259 115.700 -0.409 0.000 2.402 511 S HA -0.161 4.308 4.470 -0.001 0.000 0.229 511 S C 1.803 176.388 174.600 -0.024 0.000 1.021 511 S CA 1.480 59.555 58.200 -0.209 0.000 0.974 511 S CB -0.527 62.569 63.200 -0.172 0.000 0.800 511 S HN 0.666 nan 8.310 nan 0.000 0.484 512 F N 1.498 121.374 119.950 -0.123 0.000 2.365 512 F HA 0.159 4.685 4.527 -0.001 0.000 0.300 512 F C 1.946 177.761 175.800 0.024 0.000 1.090 512 F CA 1.234 59.225 58.000 -0.014 0.000 1.408 512 F CB -0.290 38.738 39.000 0.046 0.000 1.060 512 F HN 0.289 nan 8.300 nan 0.000 0.534 513 M N -1.401 118.235 119.600 0.059 0.000 2.240 513 M HA -0.071 4.408 4.480 -0.001 0.000 0.257 513 M C 1.993 178.199 176.300 -0.158 0.000 1.107 513 M CA 1.361 56.634 55.300 -0.045 0.000 1.169 513 M CB -0.493 32.122 32.600 0.024 0.000 1.307 513 M HN -0.123 nan 8.290 nan 0.000 0.447 514 V N 1.454 121.279 119.914 -0.147 0.000 2.255 514 V HA -0.312 3.807 4.120 -0.001 0.000 0.247 514 V C 1.551 177.558 176.094 -0.145 0.000 1.051 514 V CA 2.225 64.438 62.300 -0.145 0.000 1.018 514 V CB -0.969 30.760 31.823 -0.156 0.000 0.641 514 V HN 0.515 nan 8.190 nan 0.000 0.445 515 D N -0.199 120.116 120.400 -0.141 0.000 2.378 515 D HA -0.063 4.577 4.640 -0.001 0.000 0.227 515 D C 1.476 177.679 176.300 -0.161 0.000 1.012 515 D CA 0.410 54.332 54.000 -0.130 0.000 0.905 515 D CB -0.257 40.482 40.800 -0.102 0.000 0.895 515 D HN 0.400 nan 8.370 nan 0.000 0.532 516 N N -0.137 118.428 118.700 -0.226 0.000 2.336 516 N HA 0.003 4.742 4.740 -0.001 0.000 0.189 516 N C 0.248 175.595 175.510 -0.272 0.000 1.113 516 N CA -0.009 52.865 53.050 -0.293 0.000 0.858 516 N CB 0.551 38.755 38.487 -0.473 0.000 0.970 516 N HN 0.123 nan 8.380 nan 0.000 0.471 517 C N 0.009 119.177 119.300 -0.220 0.000 2.464 517 C HA 0.476 4.936 4.460 -0.001 0.000 0.398 517 C C 1.365 176.265 174.990 -0.150 0.000 1.451 517 C CA -0.949 57.955 59.018 -0.190 0.000 1.986 517 C CB 0.942 28.582 27.740 -0.166 0.000 2.004 517 C HN 0.371 nan 8.230 nan 0.000 0.530 518 S N 0.302 115.920 115.700 -0.137 0.000 2.596 518 S HA 0.069 4.538 4.470 -0.001 0.000 0.260 518 S C 0.854 175.408 174.600 -0.077 0.000 1.336 518 S CA 0.276 58.407 58.200 -0.116 0.000 0.993 518 S CB 0.231 63.353 63.200 -0.130 0.000 0.923 518 S HN 0.742 nan 8.310 nan 0.000 0.567 519 T N 1.602 116.122 114.554 -0.056 0.000 2.759 519 T HA -0.095 4.255 4.350 -0.001 0.000 0.269 519 T C 1.879 176.595 174.700 0.026 0.000 1.042 519 T CA 2.071 64.174 62.100 0.005 0.000 1.140 519 T CB -0.971 67.928 68.868 0.051 0.000 0.864 519 T HN 0.798 nan 8.240 nan 0.000 0.455 520 T N 1.879 116.418 114.554 -0.024 0.000 2.746 520 T HA 0.012 4.362 4.350 -0.001 0.000 0.267 520 T C 2.413 177.141 174.700 0.046 0.000 1.039 520 T CA 1.134 63.242 62.100 0.014 0.000 1.142 520 T CB -0.470 68.385 68.868 -0.021 0.000 0.866 520 T HN 0.443 nan 8.240 nan 0.000 0.444 521 A N 1.570 124.385 122.820 -0.008 0.000 1.929 521 A HA -0.019 4.301 4.320 -0.001 0.000 0.216 521 A C 2.376 179.972 177.584 0.019 0.000 1.176 521 A CA 1.065 53.097 52.037 -0.008 0.000 0.628 521 A CB -0.400 18.560 19.000 -0.067 0.000 0.816 521 A HN 0.373 nan 8.150 nan 0.000 0.444 522 R N -0.584 119.920 120.500 0.006 0.000 2.075 522 R HA 0.003 4.343 4.340 -0.001 0.000 0.232 522 R C 1.984 178.325 176.300 0.068 0.000 1.126 522 R CA 1.364 57.472 56.100 0.014 0.000 0.963 522 R CB -0.439 29.851 30.300 -0.017 0.000 0.858 522 R HN 0.484 nan 8.270 nan 0.000 0.435 523 L N -0.661 120.623 121.223 0.101 0.000 2.056 523 L HA -0.056 4.283 4.340 -0.001 0.000 0.207 523 L C 2.564 179.537 176.870 0.170 0.000 1.078 523 L CA 1.334 56.258 54.840 0.139 0.000 0.749 523 L CB -0.705 41.447 42.059 0.156 0.000 0.901 523 L HN 0.357 nan 8.230 nan 0.000 0.433 524 G N -1.262 107.651 108.800 0.188 0.000 2.418 524 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.217 524 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.217 524 G C 1.807 176.901 174.900 0.323 0.000 1.158 524 G CA 1.029 46.301 45.100 0.285 0.000 0.771 524 G HN 0.332 nan 8.290 nan 0.000 0.545 525 S N 0.058 115.879 115.700 0.202 0.000 2.368 525 S HA -0.095 4.375 4.470 -0.001 0.000 0.225 525 S C 2.518 177.256 174.600 0.230 0.000 1.030 525 S CA 1.415 59.739 58.200 0.207 0.000 0.999 525 S CB -0.194 63.080 63.200 0.123 0.000 0.844 525 S HN 0.440 nan 8.310 nan 0.000 0.459 526 R N 0.600 121.203 120.500 0.171 0.000 2.096 526 R HA -0.016 4.324 4.340 -0.001 0.000 0.235 526 R C 2.516 178.862 176.300 0.077 0.000 1.127 526 R CA 1.503 57.680 56.100 0.128 0.000 0.968 526 R CB -0.194 30.161 30.300 0.092 0.000 0.861 526 R HN 0.386 nan 8.270 nan 0.000 0.440 527 K N -0.439 120.010 120.400 0.081 0.000 2.167 527 K HA -0.125 4.195 4.320 -0.001 0.000 0.203 527 K C 1.022 177.441 176.600 -0.302 0.000 1.052 527 K CA 1.102 57.316 56.287 -0.122 0.000 0.956 527 K CB 0.136 32.559 32.500 -0.127 0.000 0.735 527 K HN 0.157 nan 8.250 nan 0.000 0.451 528 W N -0.256 121.085 121.300 0.070 0.000 2.907 528 W HA 0.340 5.000 4.660 -0.001 0.000 0.271 528 W C 2.013 178.649 176.519 0.196 0.000 1.253 528 W CA 0.164 57.562 57.345 0.089 0.000 1.501 528 W CB -0.024 29.528 29.460 0.154 0.000 1.047 528 W HN 0.058 nan 8.180 nan 0.000 0.610 529 A N 1.504 124.548 122.820 0.374 0.000 1.908 529 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 529 A C -0.305 177.385 177.584 0.177 0.000 1.181 529 A CA 1.834 54.049 52.037 0.297 0.000 0.627 529 A CB -1.845 17.237 19.000 0.136 0.000 0.818 529 A HN 0.098 nan 8.150 nan 0.000 0.445 530 P HA -0.123 nan 4.420 nan 0.000 0.220 530 P C 1.456 178.773 177.300 0.029 0.000 1.148 530 P CA 0.828 63.943 63.100 0.026 0.000 0.803 530 P CB -0.038 31.614 31.700 -0.079 0.000 0.782 531 R N -1.213 119.259 120.500 -0.046 0.000 2.066 531 R HA -0.022 4.318 4.340 -0.001 0.000 0.232 531 R C 2.172 178.442 176.300 -0.050 0.000 1.131 531 R CA 1.326 57.347 56.100 -0.132 0.000 0.955 531 R CB -1.606 28.535 30.300 -0.264 0.000 0.851 531 R HN 0.288 nan 8.270 nan 0.000 0.432 532 F N 1.591 121.625 119.950 0.140 0.000 2.186 532 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 532 F C 2.359 178.226 175.800 0.112 0.000 1.090 532 F CA 1.343 59.416 58.000 0.123 0.000 1.307 532 F CB -0.515 38.551 39.000 0.109 0.000 1.019 532 F HN 0.078 nan 8.300 nan 0.000 0.489 533 D N -0.444 120.129 120.400 0.288 0.000 2.087 533 D HA -0.250 4.389 4.640 -0.001 0.000 0.192 533 D C 2.226 178.644 176.300 0.198 0.000 0.993 533 D CA 1.710 55.834 54.000 0.207 0.000 0.828 533 D CB -0.483 40.429 40.800 0.187 0.000 0.968 533 D HN 0.225 nan 8.370 nan 0.000 0.448 534 Y N 0.838 121.159 120.300 0.035 0.000 2.128 534 Y HA -0.088 4.461 4.550 -0.001 0.000 0.284 534 Y C 2.590 178.506 175.900 0.027 0.000 1.154 534 Y CA 0.929 59.039 58.100 0.016 0.000 1.149 534 Y CB -0.535 37.916 38.460 -0.014 0.000 0.976 534 Y HN 0.051 nan 8.280 nan 0.000 0.505 535 I N -0.746 119.934 120.570 0.183 0.000 2.394 535 I HA -0.292 3.878 4.170 -0.001 0.000 0.251 535 I C 1.828 178.012 176.117 0.111 0.000 1.136 535 I CA 1.105 62.478 61.300 0.122 0.000 1.425 535 I CB -0.104 37.948 38.000 0.087 0.000 1.079 535 I HN 0.207 nan 8.210 nan 0.000 0.425 536 L N -0.559 120.740 121.223 0.126 0.000 2.109 536 L HA -0.154 4.186 4.340 -0.001 0.000 0.207 536 L C 2.558 179.474 176.870 0.076 0.000 1.086 536 L CA 1.007 55.911 54.840 0.106 0.000 0.760 536 L CB -0.468 41.661 42.059 0.118 0.000 0.910 536 L HN 0.130 nan 8.230 nan 0.000 0.437 537 S N -0.523 115.202 115.700 0.042 0.000 2.355 537 S HA -0.195 4.275 4.470 -0.001 0.000 0.222 537 S C 1.924 176.525 174.600 0.001 0.000 1.031 537 S CA 1.149 59.347 58.200 -0.003 0.000 0.993 537 S CB -0.205 62.941 63.200 -0.090 0.000 0.859 537 S HN 0.447 nan 8.310 nan 0.000 0.453 538 Q N 0.454 120.257 119.800 0.005 0.000 2.123 538 Q HA -0.048 4.292 4.340 -0.001 0.000 0.199 538 Q C 2.188 178.215 176.000 0.044 0.000 0.966 538 Q CA 1.030 56.845 55.803 0.020 0.000 0.845 538 Q CB -0.037 28.726 28.738 0.042 0.000 0.907 538 Q HN 0.609 nan 8.270 nan 0.000 0.439 539 Q N -0.722 119.116 119.800 0.062 0.000 2.606 539 Q HA 0.179 4.518 4.340 -0.001 0.000 0.215 539 Q C 2.093 178.143 176.000 0.084 0.000 0.908 539 Q CA 0.514 56.361 55.803 0.073 0.000 0.908 539 Q CB -0.004 28.783 28.738 0.083 0.000 1.120 539 Q HN 0.237 nan 8.270 nan 0.000 0.628 540 A N 1.570 124.444 122.820 0.090 0.000 1.858 540 A HA -0.144 4.176 4.320 -0.001 0.000 0.216 540 A C 2.102 179.761 177.584 0.124 0.000 1.190 540 A CA 1.255 53.352 52.037 0.099 0.000 0.617 540 A CB -0.880 18.170 19.000 0.083 0.000 0.827 540 A HN 0.251 nan 8.150 nan 0.000 0.443 541 L N -0.465 120.832 121.223 0.125 0.000 2.093 541 L HA -0.136 4.204 4.340 -0.001 0.000 0.208 541 L C 2.506 179.437 176.870 0.101 0.000 1.085 541 L CA 0.892 55.816 54.840 0.140 0.000 0.755 541 L CB -0.661 41.463 42.059 0.109 0.000 0.904 541 L HN 0.242 nan 8.230 nan 0.000 0.435 542 V N 0.355 120.314 119.914 0.075 0.000 2.343 542 V HA -0.288 3.832 4.120 -0.001 0.000 0.247 542 V C 2.812 178.948 176.094 0.070 0.000 1.051 542 V CA 1.823 64.159 62.300 0.059 0.000 1.036 542 V CB -0.802 31.049 31.823 0.046 0.000 0.654 542 V HN 0.477 nan 8.190 nan 0.000 0.451 543 A N -0.259 122.612 122.820 0.085 0.000 1.902 543 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 543 A C 2.395 180.040 177.584 0.102 0.000 1.181 543 A CA 2.179 54.270 52.037 0.090 0.000 0.623 543 A CB -0.696 18.364 19.000 0.100 0.000 0.818 543 A HN 0.338 nan 8.150 nan 0.000 0.443 544 V N 0.619 120.612 119.914 0.132 0.000 2.295 544 V HA -0.225 3.895 4.120 -0.001 0.000 0.246 544 V C 2.046 178.203 176.094 0.105 0.000 1.049 544 V CA 2.262 64.656 62.300 0.156 0.000 1.024 544 V CB -0.806 31.176 31.823 0.265 0.000 0.648 544 V HN 0.486 nan 8.190 nan 0.000 0.447 545 D N 0.154 120.604 120.400 0.083 0.000 2.309 545 D HA -0.099 4.540 4.640 -0.001 0.000 0.212 545 D C 1.634 177.961 176.300 0.045 0.000 0.968 545 D CA 0.795 54.825 54.000 0.050 0.000 0.882 545 D CB -0.286 40.536 40.800 0.037 0.000 0.918 545 D HN 0.378 nan 8.370 nan 0.000 0.503 546 N N -0.200 118.532 118.700 0.054 0.000 2.270 546 N HA 0.087 4.826 4.740 -0.001 0.000 0.198 546 N C 0.824 176.364 175.510 0.050 0.000 1.117 546 N CA 0.470 53.548 53.050 0.046 0.000 0.845 546 N CB 0.871 39.386 38.487 0.046 0.000 0.980 546 N HN 0.106 nan 8.380 nan 0.000 0.486 547 G N 0.836 109.671 108.800 0.059 0.000 2.295 547 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.287 547 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.287 547 G C 0.284 175.223 174.900 0.065 0.000 1.055 547 G CA 0.298 45.434 45.100 0.060 0.000 0.922 547 G HN 0.547 nan 8.290 nan 0.000 0.503 548 A N 0.140 123.005 122.820 0.075 0.000 2.498 548 A HA 0.607 4.927 4.320 -0.001 0.000 0.239 548 A C -0.589 177.042 177.584 0.078 0.000 1.068 548 A CA -0.261 51.821 52.037 0.076 0.000 0.766 548 A CB 0.117 19.170 19.000 0.087 0.000 1.003 548 A HN 0.371 nan 8.150 nan 0.000 0.497 549 P HA 0.266 nan 4.420 nan 0.000 0.270 549 P C -0.517 176.831 177.300 0.081 0.000 1.223 549 P CA -0.120 63.021 63.100 0.070 0.000 0.785 549 P CB 0.361 32.098 31.700 0.061 0.000 0.923 550 I N 1.977 122.594 120.570 0.079 0.000 2.395 550 I HA 0.100 4.270 4.170 -0.001 0.000 0.289 550 I C 0.921 177.086 176.117 0.081 0.000 1.023 550 I CA -0.459 60.893 61.300 0.087 0.000 1.350 550 I CB 0.513 38.565 38.000 0.087 0.000 1.409 550 I HN 0.284 nan 8.210 nan 0.000 0.507 551 N N 6.361 125.117 118.700 0.092 0.000 2.466 551 N HA -0.003 4.736 4.740 -0.001 0.000 0.263 551 N C 0.885 176.433 175.510 0.063 0.000 1.178 551 N CA 0.005 53.110 53.050 0.092 0.000 0.983 551 N CB 0.748 39.312 38.487 0.129 0.000 1.331 551 N HN 0.481 nan 8.380 nan 0.000 0.500 552 Q N 1.726 121.557 119.800 0.051 0.000 2.124 552 Q HA -0.163 4.177 4.340 -0.001 0.000 0.202 552 Q C 0.850 176.862 176.000 0.021 0.000 0.977 552 Q CA 1.323 57.146 55.803 0.033 0.000 0.850 552 Q CB -0.148 28.609 28.738 0.031 0.000 0.901 552 Q HN 0.621 nan 8.270 nan 0.000 0.429 553 D N 0.301 120.720 120.400 0.032 0.000 2.178 553 D HA -0.056 4.584 4.640 -0.001 0.000 0.202 553 D C 1.888 178.195 176.300 0.012 0.000 0.974 553 D CA 0.390 54.406 54.000 0.027 0.000 0.841 553 D CB -0.006 40.819 40.800 0.042 0.000 0.953 553 D HN 0.104 nan 8.370 nan 0.000 0.478 554 L N 0.172 121.400 121.223 0.009 0.000 2.005 554 L HA -0.151 4.189 4.340 -0.001 0.000 0.207 554 L C 2.055 178.886 176.870 -0.065 0.000 1.072 554 L CA 0.703 55.511 54.840 -0.054 0.000 0.744 554 L CB -0.201 41.822 42.059 -0.059 0.000 0.895 554 L HN 0.155 nan 8.230 nan 0.000 0.433 555 I N -0.859 119.671 120.570 -0.068 0.000 2.226 555 I HA -0.293 3.876 4.170 -0.001 0.000 0.245 555 I C 2.810 178.880 176.117 -0.078 0.000 1.100 555 I CA 1.440 62.661 61.300 -0.132 0.000 1.374 555 I CB -1.411 36.538 38.000 -0.086 0.000 1.057 555 I HN 0.262 nan 8.210 nan 0.000 0.413 556 S N 1.372 117.043 115.700 -0.049 0.000 2.359 556 S HA -0.191 4.278 4.470 -0.001 0.000 0.224 556 S C 1.807 176.382 174.600 -0.041 0.000 1.035 556 S CA 1.750 59.921 58.200 -0.047 0.000 1.018 556 S CB -0.215 62.972 63.200 -0.023 0.000 0.876 556 S HN 0.428 nan 8.310 nan 0.000 0.448 557 N N 0.665 119.357 118.700 -0.012 0.000 2.223 557 N HA -0.069 4.671 4.740 -0.001 0.000 0.185 557 N C 1.368 176.910 175.510 0.053 0.000 1.016 557 N CA 1.179 54.235 53.050 0.011 0.000 0.863 557 N CB -0.730 37.766 38.487 0.015 0.000 0.983 557 N HN 0.556 nan 8.380 nan 0.000 0.429 558 F N 1.662 121.541 119.950 -0.117 0.000 2.102 558 F HA -0.019 4.508 4.527 -0.001 0.000 0.298 558 F C 1.916 177.705 175.800 -0.019 0.000 1.105 558 F CA 1.093 59.044 58.000 -0.081 0.000 1.239 558 F CB -0.576 38.191 39.000 -0.389 0.000 0.991 558 F HN -0.071 nan 8.300 nan 0.000 0.474 559 L N 0.134 121.120 121.223 -0.395 0.000 2.131 559 L HA -0.159 4.180 4.340 -0.001 0.000 0.210 559 L C 2.307 179.019 176.870 -0.264 0.000 1.092 559 L CA 1.501 56.034 54.840 -0.511 0.000 0.759 559 L CB -0.820 41.037 42.059 -0.337 0.000 0.903 559 L HN 0.389 nan 8.230 nan 0.000 0.435 560 S N -3.146 112.477 115.700 -0.128 0.000 2.540 560 S HA 0.022 4.492 4.470 -0.001 0.000 0.218 560 S C 0.636 175.224 174.600 -0.021 0.000 0.977 560 S CA -0.585 57.578 58.200 -0.063 0.000 0.918 560 S CB -0.223 62.949 63.200 -0.047 0.000 0.806 560 S HN 0.251 nan 8.310 nan 0.000 0.496 561 D N 4.091 124.488 120.400 -0.004 0.000 2.531 561 D HA 0.034 4.673 4.640 -0.001 0.000 0.239 561 D C -1.171 175.072 176.300 -0.095 0.000 1.144 561 D CA -0.794 53.181 54.000 -0.043 0.000 0.869 561 D CB 1.325 42.069 40.800 -0.094 0.000 1.160 561 D HN 0.157 nan 8.370 nan 0.000 0.484 562 P HA -0.135 nan 4.420 nan 0.000 0.225 562 P C 1.523 178.704 177.300 -0.198 0.000 1.148 562 P CA 0.250 63.295 63.100 -0.091 0.000 0.779 562 P CB 0.345 32.029 31.700 -0.028 0.000 0.780 563 V N 0.320 120.096 119.914 -0.230 0.000 2.594 563 V HA -0.215 3.905 4.120 -0.001 0.000 0.253 563 V C 2.446 178.376 176.094 -0.274 0.000 1.069 563 V CA 1.800 63.934 62.300 -0.276 0.000 1.082 563 V CB -1.213 30.540 31.823 -0.115 0.000 0.680 563 V HN 0.158 nan 8.190 nan 0.000 0.469 564 H N -0.189 118.837 119.070 -0.074 0.000 2.353 564 H HA -0.147 4.408 4.556 -0.001 0.000 0.300 564 H C 2.276 177.550 175.328 -0.090 0.000 1.090 564 H CA 1.969 57.971 56.048 -0.075 0.000 1.327 564 H CB -0.151 29.541 29.762 -0.116 0.000 1.383 564 H HN 0.589 nan 8.280 nan 0.000 0.508 565 E N 0.603 120.793 120.200 -0.017 0.000 2.072 565 E HA -0.097 4.253 4.350 -0.001 0.000 0.191 565 E C 2.379 178.914 176.600 -0.109 0.000 0.985 565 E CA 0.839 57.201 56.400 -0.064 0.000 0.801 565 E CB 0.064 29.712 29.700 -0.088 0.000 0.750 565 E HN 0.386 nan 8.360 nan 0.000 0.452 566 A N 0.841 123.548 122.820 -0.188 0.000 1.933 566 A HA -0.156 4.164 4.320 -0.001 0.000 0.218 566 A C 2.110 179.615 177.584 -0.132 0.000 1.175 566 A CA 1.071 52.966 52.037 -0.236 0.000 0.628 566 A CB -0.538 18.172 19.000 -0.484 0.000 0.814 566 A HN 0.304 nan 8.150 nan 0.000 0.444 567 I N -0.458 120.067 120.570 -0.076 0.000 2.315 567 I HA -0.181 3.989 4.170 -0.001 0.000 0.248 567 I C 2.638 178.754 176.117 -0.002 0.000 1.117 567 I CA 1.024 62.322 61.300 -0.003 0.000 1.404 567 I CB -0.537 37.496 38.000 0.054 0.000 1.071 567 I HN 0.410 nan 8.210 nan 0.000 0.419 568 G N 0.488 109.279 108.800 -0.016 0.000 2.402 568 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.216 568 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.216 568 G C 1.712 176.585 174.900 -0.045 0.000 1.162 568 G CA 0.667 45.755 45.100 -0.020 0.000 0.777 568 G HN 0.220 nan 8.290 nan 0.000 0.539 569 V N 0.594 120.464 119.914 -0.074 0.000 2.295 569 V HA -0.227 3.892 4.120 -0.001 0.000 0.246 569 V C 3.045 179.068 176.094 -0.118 0.000 1.049 569 V CA 1.836 64.075 62.300 -0.100 0.000 1.024 569 V CB -0.713 31.035 31.823 -0.125 0.000 0.648 569 V HN 0.494 nan 8.190 nan 0.000 0.447 570 C N 0.292 119.528 119.300 -0.107 0.000 2.425 570 C HA -0.063 4.396 4.460 -0.001 0.000 0.277 570 C C 3.041 178.014 174.990 -0.028 0.000 1.280 570 C CA 0.624 59.574 59.018 -0.112 0.000 1.744 570 C CB -1.402 26.339 27.740 0.002 0.000 1.989 570 C HN 0.630 nan 8.230 nan 0.000 0.491 571 A N -0.191 122.630 122.820 0.002 0.000 2.070 571 A HA -0.216 4.103 4.320 -0.001 0.000 0.220 571 A C 2.083 179.671 177.584 0.006 0.000 1.159 571 A CA 1.280 53.333 52.037 0.027 0.000 0.656 571 A CB -0.528 18.489 19.000 0.028 0.000 0.800 571 A HN 0.772 nan 8.150 nan 0.000 0.453 572 Q N -0.769 119.013 119.800 -0.029 0.000 2.224 572 Q HA 0.005 4.344 4.340 -0.001 0.000 0.203 572 Q C 1.334 177.315 176.000 -0.031 0.000 0.970 572 Q CA 0.940 56.722 55.803 -0.035 0.000 0.865 572 Q CB -0.176 28.528 28.738 -0.056 0.000 0.922 572 Q HN 0.700 nan 8.270 nan 0.000 0.445 573 L N -0.021 121.176 121.223 -0.043 0.000 2.591 573 L HA 0.097 4.436 4.340 -0.001 0.000 0.228 573 L C 1.011 177.929 176.870 0.080 0.000 1.133 573 L CA -0.043 54.789 54.840 -0.014 0.000 0.880 573 L CB 0.060 42.043 42.059 -0.127 0.000 1.033 573 L HN -0.018 nan 8.230 nan 0.000 0.450 574 R N 1.995 122.542 120.500 0.079 0.000 2.248 574 R HA 0.244 4.584 4.340 -0.001 0.000 0.328 574 R C -2.160 174.176 176.300 0.060 0.000 1.067 574 R CA -1.568 54.590 56.100 0.097 0.000 0.924 574 R CB 0.570 30.924 30.300 0.090 0.000 1.013 574 R HN -0.092 nan 8.270 nan 0.000 0.454 575 P HA 0.010 nan 4.420 nan 0.000 0.268 575 P C -0.747 176.568 177.300 0.025 0.000 1.208 575 P CA 0.065 63.183 63.100 0.030 0.000 0.777 575 P CB 0.739 32.454 31.700 0.024 0.000 0.875 576 S N 0.639 116.346 115.700 0.012 0.000 3.697 576 S HA 0.255 4.724 4.470 -0.001 0.000 0.207 576 S C -0.146 174.459 174.600 0.008 0.000 1.459 576 S CA -0.253 57.953 58.200 0.011 0.000 1.122 576 S CB -0.726 62.477 63.200 0.005 0.000 1.311 576 S HN 0.145 nan 8.310 nan 0.000 0.487 577 V N 1.610 121.531 119.914 0.012 0.000 2.638 577 V HA 0.422 4.542 4.120 -0.001 0.000 0.306 577 V C -0.901 175.203 176.094 0.017 0.000 1.052 577 V CA -1.039 61.266 62.300 0.008 0.000 0.885 577 V CB 2.279 34.103 31.823 0.002 0.000 0.999 577 V HN 0.295 nan 8.190 nan 0.000 0.424 578 D N 3.057 123.466 120.400 0.014 0.000 2.278 578 D HA 0.439 5.079 4.640 -0.001 0.000 0.245 578 D C -0.005 176.305 176.300 0.016 0.000 1.052 578 D CA -0.349 53.663 54.000 0.019 0.000 0.834 578 D CB 2.791 43.599 40.800 0.012 0.000 1.194 578 D HN 0.560 nan 8.370 nan 0.000 0.481 579 I N 1.289 121.875 120.570 0.027 0.000 2.752 579 I HA -0.096 4.074 4.170 -0.001 0.000 0.289 579 I C 0.098 176.218 176.117 0.006 0.000 1.197 579 I CA 0.703 62.016 61.300 0.022 0.000 1.432 579 I CB 0.467 38.507 38.000 0.067 0.000 1.359 579 I HN 0.089 nan 8.210 nan 0.000 0.571 580 S N 6.878 122.578 115.700 0.001 0.000 2.423 580 S HA 0.560 5.030 4.470 -0.001 0.000 0.317 580 S C -0.768 173.884 174.600 0.086 0.000 1.065 580 S CA -0.632 57.584 58.200 0.027 0.000 1.111 580 S CB 0.250 63.467 63.200 0.028 0.000 0.968 580 S HN 0.427 nan 8.310 nan 0.000 0.474 581 V N 4.345 124.291 119.914 0.053 0.000 2.656 581 V HA 0.745 4.864 4.120 -0.001 0.000 0.307 581 V C 0.251 176.377 176.094 0.053 0.000 1.051 581 V CA -0.874 61.469 62.300 0.073 0.000 0.893 581 V CB 1.687 33.304 31.823 -0.343 0.000 0.999 581 V HN 0.884 nan 8.190 nan 0.000 0.426 582 T N 0.330 114.928 114.554 0.073 0.000 2.907 582 T HA 0.726 5.076 4.350 -0.001 0.000 0.290 582 T C 1.071 175.726 174.700 -0.076 0.000 1.066 582 T CA -0.016 62.091 62.100 0.012 0.000 1.012 582 T CB 2.062 70.942 68.868 0.020 0.000 1.184 582 T HN 0.915 nan 8.240 nan 0.000 0.522 583 A N 0.803 123.510 122.820 -0.190 0.000 2.024 583 A HA -0.042 4.278 4.320 -0.001 0.000 0.220 583 A C 1.643 179.043 177.584 -0.308 0.000 1.164 583 A CA 1.893 53.688 52.037 -0.403 0.000 0.643 583 A CB -1.012 17.808 19.000 -0.300 0.000 0.806 583 A HN 0.952 nan 8.150 nan 0.000 0.451 584 D N -0.363 119.954 120.400 -0.138 0.000 2.358 584 D HA 0.384 5.024 4.640 -0.001 0.000 0.224 584 D C 0.509 176.779 176.300 -0.050 0.000 1.123 584 D CA 0.247 54.202 54.000 -0.076 0.000 0.833 584 D CB -0.803 39.971 40.800 -0.043 0.000 0.946 584 D HN 0.360 nan 8.370 nan 0.000 0.505 585 A N 1.644 124.418 122.820 -0.078 0.000 2.580 585 A HA 0.070 4.390 4.320 -0.001 0.000 0.244 585 A C 1.054 178.468 177.584 -0.283 0.000 1.045 585 A CA 0.434 52.274 52.037 -0.329 0.000 0.761 585 A CB 0.140 18.666 19.000 -0.789 0.000 0.962 585 A HN 0.338 nan 8.150 nan 0.000 0.512 586 D N 1.434 121.741 120.400 -0.156 0.000 2.349 586 D HA -0.039 4.601 4.640 -0.001 0.000 0.215 586 D C 0.468 176.811 176.300 0.072 0.000 1.016 586 D CA 0.670 54.679 54.000 0.014 0.000 0.870 586 D CB -0.451 40.422 40.800 0.121 0.000 0.917 586 D HN 0.583 nan 8.370 nan 0.000 0.524 587 F N -0.143 119.873 119.950 0.109 0.000 2.639 587 F HA 0.364 4.891 4.527 -0.001 0.000 0.300 587 F C 0.391 176.219 175.800 0.047 0.000 1.109 587 F CA -1.153 56.895 58.000 0.081 0.000 1.335 587 F CB -0.688 38.365 39.000 0.088 0.000 1.014 587 F HN -0.124 nan 8.300 nan 0.000 0.537 588 V N -1.557 118.293 119.914 -0.107 0.000 3.302 588 V HA 0.516 4.635 4.120 -0.001 0.000 0.316 588 V C 0.719 176.774 176.094 -0.065 0.000 1.111 588 V CA -1.761 60.465 62.300 -0.123 0.000 1.029 588 V CB 0.799 32.477 31.823 -0.243 0.000 1.170 588 V HN 0.182 nan 8.190 nan 0.000 0.452 589 R N 1.338 121.778 120.500 -0.101 0.000 2.583 589 R HA 0.084 4.424 4.340 -0.001 0.000 0.274 589 R C -1.667 174.629 176.300 -0.008 0.000 0.998 589 R CA -0.398 55.663 56.100 -0.066 0.000 1.081 589 R CB 0.040 30.287 30.300 -0.088 0.000 0.940 589 R HN 0.590 nan 8.270 nan 0.000 0.413 590 P HA -0.255 nan 4.420 nan 0.000 0.216 590 P C 0.807 178.128 177.300 0.035 0.000 1.154 590 P CA 1.385 64.516 63.100 0.053 0.000 0.865 590 P CB 0.093 31.842 31.700 0.082 0.000 0.789 591 E N -0.964 119.248 120.200 0.019 0.000 2.478 591 E HA -0.090 4.260 4.350 -0.001 0.000 0.198 591 E C 1.038 177.649 176.600 0.019 0.000 1.046 591 E CA 0.882 57.288 56.400 0.010 0.000 0.870 591 E CB -0.583 29.112 29.700 -0.008 0.000 0.818 591 E HN 0.227 nan 8.360 nan 0.000 0.527 592 L N 0.693 121.937 121.223 0.036 0.000 2.766 592 L HA 0.252 4.592 4.340 -0.001 0.000 0.242 592 L C 0.700 177.657 176.870 0.145 0.000 1.136 592 L CA -0.108 54.788 54.840 0.095 0.000 0.933 592 L CB -0.051 42.062 42.059 0.090 0.000 1.241 592 L HN -0.093 nan 8.230 nan 0.000 0.522 593 R N 0.715 121.265 120.500 0.083 0.000 2.537 593 R HA 0.132 4.472 4.340 -0.001 0.000 0.280 593 R C 0.316 176.639 176.300 0.038 0.000 1.058 593 R CA 0.154 56.296 56.100 0.071 0.000 1.057 593 R CB 0.528 30.855 30.300 0.046 0.000 0.973 593 R HN 0.159 nan 8.270 nan 0.000 0.438 594 Q N 1.959 121.768 119.800 0.014 0.000 2.282 594 Q HA 0.554 4.894 4.340 -0.001 0.000 0.260 594 Q C -1.433 174.555 176.000 -0.020 0.000 0.964 594 Q CA -0.454 55.332 55.803 -0.027 0.000 0.880 594 Q CB 1.864 30.549 28.738 -0.089 0.000 1.286 594 Q HN 0.726 nan 8.270 nan 0.000 0.445 595 A N 0.000 122.809 122.820 -0.019 0.000 2.254 595 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 595 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 595 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 595 A HN 0.000 nan 8.150 nan 0.000 0.486