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 2qo3_1_A DATA FIRST_RESID 29 DATA SEQUENCE ESDPIAIVSM ACRLPGGVNT PQRLWELLRE GGETLSGFPT DRGWDLARLH DATA SEQUENCE HPDPDNPGTS YVDKGGFLDD AAGFDAEFFG VSPREAAAMD PQQRLLLETS DATA SEQUENCE WELVENAGID PHSLRGTATG VFLGVAKFGY GEDTAXXXDV EGYSVTGVAP DATA SEQUENCE AVASGRISYT MGLEGPSISV DTACSSSLVA LHLAVESLRK GESSMAVVGG DATA SEQUENCE AAVMATPGVF VDFSRQRALA ADGRSKAFGA GADGFGFSEG VTLVLLERLS DATA SEQUENCE EARRNGHEVL AVVRGSALNQ DGASNGLSAP SGPAQRRVIR QALESCGLEP DATA SEQUENCE GDVDAVEAHG TGTALGDPIE ANALLDTYGR DRDADRPLWL GSVKSNIGHT DATA SEQUENCE QAAAGVTGLL KVVLALRNGE LPATLHVEEP TPHVDWSSGG VALLAGNQPW DATA SEQUENCE RRGERTRRAA VSAFGISGTN AHVIVEEAPE XXXXXXXXHD GRPVPLVVSA DATA SEQUENCE RSTAALRAQA AQIAELLERP DADLAGVGLG LATTRARHEH RAAVVASTRE DATA SEQUENCE EAVRGLREIA AGAATADAVV EGVTEVDGRN VVFLFPGQGS QWAGMGAELL DATA SEQUENCE SSSPVFAGKI RACDESMAPM QDWKVSDVLR QAPGAPGLDR VDVVQPVLFA DATA SEQUENCE VMVSLAELWR SYGVEPAAVV GHSQGEIAAA HVAGALTLED AAKLVVGRSR DATA SEQUENCE LMRSLSGEGG MAAVALGEAA VRERLRPWQD RLSVAAVNGP RSVVVSGEPG DATA SEQUENCE ALRAFSEDCA AEGIRVRDID VDYASHSPQI ERVREELLET TGDIAPRPAR DATA SEQUENCE VTFHSTVESR SMDGTELDAR YWYRNLRETV RFADAVTRLA ESGYDAFIEV DATA SEQUENCE SPHPVVVQAV EEAVEEADGA EDAVVVGSLH RDGGDLSAFL RSMATAHVSG DATA SEQUENCE VDIRWDVALP GAAPFALPTY PFQRKRYWLQ 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 29 E HA 0.000 nan 4.350 nan 0.000 0.291 29 E C 0.000 176.601 176.600 0.002 0.000 1.382 29 E CA 0.000 56.404 56.400 0.007 0.000 0.976 29 E CB 0.000 29.706 29.700 0.011 0.000 0.812 30 S N 0.657 116.358 115.700 0.001 0.000 1.244 30 S HA -0.166 4.306 4.470 0.003 0.000 0.253 30 S C -1.200 173.398 174.600 -0.004 0.000 0.573 30 S CA 1.398 59.597 58.200 -0.001 0.000 1.010 30 S CB -1.465 61.734 63.200 -0.001 0.000 0.807 30 S HN 0.559 nan 8.310 nan 0.000 0.490 31 D N 2.885 123.281 120.400 -0.005 0.000 2.363 31 D HA 0.517 5.159 4.640 0.003 0.000 0.258 31 D C -2.531 173.763 176.300 -0.010 0.000 1.259 31 D CA -1.128 52.868 54.000 -0.007 0.000 0.921 31 D CB 1.773 42.569 40.800 -0.006 0.000 1.201 31 D HN 0.385 nan 8.370 nan 0.000 0.524 32 P HA 0.442 nan 4.420 nan 0.000 0.317 32 P C -0.012 177.279 177.300 -0.015 0.000 1.307 32 P CA -0.780 62.311 63.100 -0.015 0.000 0.749 32 P CB 1.217 32.911 31.700 -0.010 0.000 1.377 33 I N -0.300 120.258 120.570 -0.020 0.000 2.312 33 I HA 0.395 4.567 4.170 0.003 0.000 0.290 33 I C 0.498 176.607 176.117 -0.013 0.000 1.008 33 I CA -1.081 60.207 61.300 -0.020 0.000 1.226 33 I CB 0.174 38.152 38.000 -0.037 0.000 1.371 33 I HN 0.330 nan 8.210 nan 0.000 0.468 34 A N 7.614 130.432 122.820 -0.005 0.000 2.388 34 A HA 0.598 4.920 4.320 0.003 0.000 0.257 34 A C -0.005 177.577 177.584 -0.003 0.000 1.095 34 A CA -0.347 51.688 52.037 -0.002 0.000 0.791 34 A CB 0.264 19.269 19.000 0.009 0.000 1.029 34 A HN 0.671 nan 8.150 nan 0.000 0.489 35 I N 2.644 123.209 120.570 -0.008 0.000 2.342 35 I HA 0.216 4.388 4.170 0.003 0.000 0.291 35 I C 1.016 177.124 176.117 -0.014 0.000 1.010 35 I CA -0.065 61.228 61.300 -0.010 0.000 1.308 35 I CB 1.682 39.675 38.000 -0.011 0.000 1.400 35 I HN 0.552 nan 8.210 nan 0.000 0.488 36 V N 1.786 121.689 119.914 -0.019 0.000 3.477 36 V HA 0.421 4.543 4.120 0.003 0.000 0.297 36 V C 0.269 176.334 176.094 -0.048 0.000 1.433 36 V CA 0.044 62.328 62.300 -0.027 0.000 1.052 36 V CB 0.065 31.868 31.823 -0.034 0.000 0.895 36 V HN 0.703 nan 8.190 nan 0.000 0.438 37 S N -0.358 115.319 115.700 -0.039 0.000 2.622 37 S HA 0.685 5.157 4.470 0.003 0.000 0.275 37 S C -1.556 173.034 174.600 -0.016 0.000 1.112 37 S CA -0.510 57.667 58.200 -0.038 0.000 0.837 37 S CB 1.856 65.020 63.200 -0.061 0.000 1.082 37 S HN 0.451 nan 8.310 nan 0.000 0.456 38 M N 2.557 122.153 119.600 -0.006 0.000 2.371 38 M HA 0.792 5.274 4.480 0.003 0.000 0.287 38 M C -1.577 174.741 176.300 0.030 0.000 1.149 38 M CA -0.192 55.115 55.300 0.012 0.000 0.929 38 M CB 2.026 34.628 32.600 0.004 0.000 1.683 38 M HN 1.137 nan 8.290 nan 0.000 0.470 39 A N 2.582 125.430 122.820 0.048 0.000 2.589 39 A HA 0.870 5.192 4.320 0.003 0.000 0.296 39 A C -1.549 176.080 177.584 0.075 0.000 1.062 39 A CA -0.634 51.444 52.037 0.069 0.000 0.686 39 A CB 0.924 19.976 19.000 0.087 0.000 1.282 39 A HN 1.375 nan 8.150 nan 0.000 0.404 40 C N 0.422 119.772 119.300 0.084 0.000 3.239 40 C HA 0.935 5.397 4.460 0.003 0.000 0.329 40 C C -1.346 173.695 174.990 0.085 0.000 1.252 40 C CA -0.934 58.132 59.018 0.080 0.000 1.323 40 C CB 1.830 29.614 27.740 0.073 0.000 1.663 40 C HN 0.896 nan 8.230 nan 0.000 0.487 41 R N 2.155 122.702 120.500 0.077 0.000 2.422 41 R HA 0.757 5.098 4.340 0.003 0.000 0.307 41 R C -1.242 175.098 176.300 0.066 0.000 1.004 41 R CA -0.265 55.880 56.100 0.075 0.000 0.882 41 R CB 1.329 31.672 30.300 0.072 0.000 1.164 41 R HN 0.894 nan 8.270 nan 0.000 0.489 42 L N 3.113 124.373 121.223 0.063 0.000 2.279 42 L HA 0.640 4.981 4.340 0.003 0.000 0.262 42 L C -2.148 174.753 176.870 0.051 0.000 1.019 42 L CA -2.498 52.375 54.840 0.054 0.000 0.823 42 L CB 2.162 44.252 42.059 0.052 0.000 1.358 42 L HN 0.221 nan 8.230 nan 0.000 0.432 43 P HA 0.105 nan 4.420 nan 0.000 0.269 43 P C 0.314 177.642 177.300 0.047 0.000 1.217 43 P CA 0.458 63.587 63.100 0.048 0.000 0.783 43 P CB 0.470 32.187 31.700 0.029 0.000 0.898 44 G N 0.986 109.817 108.800 0.052 0.000 2.182 44 G HA2 -0.023 3.939 3.960 0.003 0.000 0.248 44 G HA3 -0.023 3.939 3.960 0.003 0.000 0.248 44 G C 0.815 175.736 174.900 0.036 0.000 1.042 44 G CA 0.434 45.559 45.100 0.041 0.000 0.775 44 G HN 1.030 nan 8.290 nan 0.000 0.501 45 G N -2.537 106.288 108.800 0.041 0.000 2.162 45 G HA2 -0.116 3.846 3.960 0.003 0.000 0.260 45 G HA3 -0.116 3.846 3.960 0.003 0.000 0.260 45 G C 0.662 175.590 174.900 0.046 0.000 0.976 45 G CA 0.520 45.644 45.100 0.040 0.000 0.655 45 G HN 1.687 nan 8.290 nan 0.000 0.533 46 V N 2.582 122.524 119.914 0.048 0.000 1.959 46 V HA 0.129 4.250 4.120 0.003 0.000 0.242 46 V C 1.348 177.481 176.094 0.064 0.000 1.613 46 V CA 0.731 63.062 62.300 0.052 0.000 1.566 46 V CB -0.360 31.491 31.823 0.048 0.000 1.547 46 V HN 0.665 nan 8.190 nan 0.000 0.503 47 N N 0.699 119.440 118.700 0.068 0.000 2.235 47 N HA 0.060 4.802 4.740 0.003 0.000 0.209 47 N C 0.175 175.738 175.510 0.087 0.000 1.122 47 N CA -0.096 53.003 53.050 0.081 0.000 0.845 47 N CB 0.947 39.487 38.487 0.088 0.000 1.004 47 N HN 0.405 nan 8.380 nan 0.000 0.499 48 T N 0.386 114.988 114.554 0.080 0.000 2.923 48 T HA 0.359 4.711 4.350 0.003 0.000 0.311 48 T C -2.270 172.478 174.700 0.080 0.000 1.183 48 T CA -1.303 60.843 62.100 0.078 0.000 1.020 48 T CB 2.234 71.143 68.868 0.069 0.000 1.165 48 T HN -0.297 nan 8.240 nan 0.000 0.482 49 P HA -0.107 nan 4.420 nan 0.000 0.215 49 P C 1.570 178.939 177.300 0.115 0.000 1.153 49 P CA 1.027 64.175 63.100 0.081 0.000 0.853 49 P CB 0.274 32.004 31.700 0.049 0.000 0.788 50 Q N -0.564 119.295 119.800 0.099 0.000 2.170 50 Q HA -0.120 4.222 4.340 0.003 0.000 0.203 50 Q C 2.230 178.327 176.000 0.162 0.000 0.976 50 Q CA 1.381 57.270 55.803 0.143 0.000 0.858 50 Q CB -0.632 28.162 28.738 0.094 0.000 0.907 50 Q HN 0.331 nan 8.270 nan 0.000 0.433 51 R N 0.346 120.911 120.500 0.108 0.000 2.120 51 R HA -0.015 4.327 4.340 0.003 0.000 0.234 51 R C 2.321 178.673 176.300 0.086 0.000 1.123 51 R CA 0.564 56.714 56.100 0.083 0.000 0.975 51 R CB -0.289 30.049 30.300 0.062 0.000 0.866 51 R HN 0.200 nan 8.270 nan 0.000 0.446 52 L N -0.112 121.180 121.223 0.116 0.000 2.141 52 L HA -0.187 4.155 4.340 0.003 0.000 0.209 52 L C 1.866 178.837 176.870 0.168 0.000 1.094 52 L CA 1.371 56.283 54.840 0.121 0.000 0.763 52 L CB -0.270 41.866 42.059 0.130 0.000 0.908 52 L HN 0.509 nan 8.230 nan 0.000 0.437 53 W N 0.772 122.078 121.300 0.009 0.000 2.476 53 W HA -0.182 4.480 4.660 0.004 0.000 0.281 53 W C 1.981 178.501 176.519 0.001 0.000 1.230 53 W CA 0.717 58.066 57.345 0.006 0.000 1.287 53 W CB 0.189 29.652 29.460 0.006 0.000 1.108 53 W HN 0.187 nan 8.180 nan 0.000 0.567 54 E N 1.059 121.245 120.200 -0.024 0.000 2.070 54 E HA -0.257 4.095 4.350 0.003 0.000 0.197 54 E C 2.006 178.488 176.600 -0.198 0.000 1.004 54 E CA 1.674 58.000 56.400 -0.124 0.000 0.805 54 E CB -1.007 28.680 29.700 -0.022 0.000 0.744 54 E HN 0.251 nan 8.360 nan 0.000 0.451 55 L N 0.003 121.152 121.223 -0.123 0.000 2.017 55 L HA -0.118 4.224 4.340 0.003 0.000 0.208 55 L C 2.079 178.835 176.870 -0.191 0.000 1.073 55 L CA 1.464 56.234 54.840 -0.117 0.000 0.745 55 L CB -0.321 41.710 42.059 -0.046 0.000 0.894 55 L HN 0.165 nan 8.230 nan 0.000 0.432 56 L N -1.154 119.918 121.223 -0.251 0.000 2.083 56 L HA -0.210 4.132 4.340 0.003 0.000 0.209 56 L C 2.747 179.310 176.870 -0.511 0.000 1.083 56 L CA 1.218 55.861 54.840 -0.329 0.000 0.752 56 L CB -0.585 41.326 42.059 -0.246 0.000 0.899 56 L HN 0.261 nan 8.230 nan 0.000 0.433 57 R N 0.590 120.636 120.500 -0.756 0.000 2.073 57 R HA -0.172 4.170 4.340 0.003 0.000 0.234 57 R C 2.149 178.245 176.300 -0.340 0.000 1.134 57 R CA 1.725 57.436 56.100 -0.648 0.000 0.952 57 R CB -0.085 29.768 30.300 -0.745 0.000 0.850 57 R HN 0.489 nan 8.270 nan 0.000 0.433 58 E N -0.201 119.839 120.200 -0.266 0.000 2.511 58 E HA -0.008 4.344 4.350 0.003 0.000 0.196 58 E C 0.384 176.895 176.600 -0.149 0.000 1.066 58 E CA 0.650 56.947 56.400 -0.170 0.000 0.871 58 E CB 0.152 29.777 29.700 -0.126 0.000 0.863 58 E HN 0.398 nan 8.360 nan 0.000 0.520 59 G N 1.161 109.855 108.800 -0.176 0.000 2.372 59 G HA2 -0.232 3.730 3.960 0.003 0.000 0.297 59 G HA3 -0.232 3.730 3.960 0.003 0.000 0.297 59 G C 0.316 175.147 174.900 -0.115 0.000 1.005 59 G CA 0.194 45.204 45.100 -0.151 0.000 1.173 59 G HN 0.611 nan 8.290 nan 0.000 0.511 60 G N -1.015 107.725 108.800 -0.099 0.000 2.511 60 G HA2 0.716 4.678 3.960 0.003 0.000 0.316 60 G HA3 0.716 4.678 3.960 0.003 0.000 0.316 60 G C -0.304 174.574 174.900 -0.036 0.000 1.210 60 G CA -0.567 44.496 45.100 -0.060 0.000 0.969 60 G HN 0.463 nan 8.290 nan 0.000 0.492 61 E N -1.722 118.475 120.200 -0.006 0.000 2.359 61 E HA 0.527 4.879 4.350 0.003 0.000 0.266 61 E C -0.016 176.600 176.600 0.026 0.000 0.920 61 E CA -0.698 55.716 56.400 0.024 0.000 0.788 61 E CB 2.049 31.782 29.700 0.056 0.000 1.279 61 E HN 0.466 nan 8.360 nan 0.000 0.438 62 T N -1.222 113.353 114.554 0.036 0.000 3.170 62 T HA 0.205 4.557 4.350 0.003 0.000 0.288 62 T C 0.237 174.969 174.700 0.054 0.000 0.992 62 T CA -0.534 61.589 62.100 0.038 0.000 0.909 62 T CB 0.042 68.929 68.868 0.032 0.000 1.133 62 T HN 0.131 nan 8.240 nan 0.000 0.530 63 L N 4.203 125.461 121.223 0.058 0.000 2.628 63 L HA 0.289 4.631 4.340 0.003 0.000 0.292 63 L C 0.296 177.227 176.870 0.103 0.000 1.250 63 L CA 1.075 55.963 54.840 0.079 0.000 0.892 63 L CB -0.105 41.995 42.059 0.068 0.000 1.138 63 L HN 0.684 nan 8.230 nan 0.000 0.502 64 S N 1.603 117.401 115.700 0.163 0.000 2.587 64 S HA 0.729 5.201 4.470 0.003 0.000 0.269 64 S C -0.188 174.543 174.600 0.219 0.000 1.154 64 S CA -0.625 57.672 58.200 0.162 0.000 0.824 64 S CB 0.579 63.879 63.200 0.165 0.000 1.118 64 S HN 0.903 nan 8.310 nan 0.000 0.462 65 G N 0.028 108.899 108.800 0.119 0.000 2.699 65 G HA2 0.438 4.400 3.960 0.003 0.000 0.246 65 G HA3 0.438 4.400 3.960 0.003 0.000 0.246 65 G C -0.717 174.256 174.900 0.121 0.000 1.219 65 G CA -0.365 44.796 45.100 0.102 0.000 0.866 65 G HN 0.418 nan 8.290 nan 0.000 0.572 66 F N 1.549 121.343 119.950 -0.260 0.000 2.484 66 F HA 0.271 4.800 4.527 0.003 0.000 0.360 66 F C -0.956 174.443 175.800 -0.669 0.000 1.101 66 F CA -2.361 55.303 58.000 -0.560 0.000 1.251 66 F CB 0.650 39.517 39.000 -0.221 0.000 1.132 66 F HN 0.183 nan 8.300 nan 0.000 0.570 67 P HA 0.072 nan 4.420 nan 0.000 0.271 67 P C 0.275 177.219 177.300 -0.592 0.000 1.218 67 P CA -0.102 62.568 63.100 -0.717 0.000 0.780 67 P CB 0.640 31.803 31.700 -0.894 0.000 0.901 68 T N -3.179 111.134 114.554 -0.401 0.000 3.105 68 T HA 0.061 4.413 4.350 0.003 0.000 0.253 68 T C 0.401 174.913 174.700 -0.314 0.000 1.047 68 T CA -0.072 61.851 62.100 -0.295 0.000 0.944 68 T CB -0.544 68.212 68.868 -0.187 0.000 1.016 68 T HN 0.399 nan 8.240 nan 0.000 0.544 69 D N 0.534 120.677 120.400 -0.428 0.000 2.538 69 D HA 0.155 4.797 4.640 0.003 0.000 0.231 69 D C 1.201 177.105 176.300 -0.659 0.000 1.229 69 D CA -0.518 53.219 54.000 -0.438 0.000 0.828 69 D CB -0.052 40.520 40.800 -0.380 0.000 1.035 69 D HN 0.299 nan 8.370 nan 0.000 0.495 70 R N -0.313 119.776 120.500 -0.685 0.000 2.476 70 R HA 0.340 4.682 4.340 0.003 0.000 0.276 70 R C 0.913 177.165 176.300 -0.080 0.000 0.941 70 R CA 0.324 55.983 56.100 -0.736 0.000 1.088 70 R CB 0.947 30.738 30.300 -0.850 0.000 1.216 70 R HN 0.190 nan 8.270 nan 0.000 0.533 71 G N 0.905 109.671 108.800 -0.057 0.000 2.143 71 G HA2 -0.207 3.755 3.960 0.003 0.000 0.249 71 G HA3 -0.207 3.755 3.960 0.003 0.000 0.249 71 G C -0.364 174.743 174.900 0.344 0.000 0.981 71 G CA -0.189 45.014 45.100 0.173 0.000 0.665 71 G HN 0.133 nan 8.290 nan 0.000 0.528 72 W N 1.946 123.278 121.300 0.052 0.000 2.170 72 W HA 0.459 5.120 4.660 0.003 0.000 0.336 72 W C 0.564 177.115 176.519 0.053 0.000 1.283 72 W CA -0.949 56.439 57.345 0.071 0.000 1.224 72 W CB 0.329 29.835 29.460 0.077 0.000 1.132 72 W HN 0.353 nan 8.180 nan 0.000 0.571 73 D N 3.229 123.791 120.400 0.270 0.000 2.508 73 D HA 0.045 4.687 4.640 0.003 0.000 0.224 73 D C 1.035 177.438 176.300 0.173 0.000 1.171 73 D CA -0.007 54.094 54.000 0.168 0.000 1.006 73 D CB -0.119 40.749 40.800 0.114 0.000 1.073 73 D HN 0.299 nan 8.370 nan 0.000 0.513 74 L N 1.583 122.908 121.223 0.170 0.000 1.989 74 L HA -0.225 4.117 4.340 0.003 0.000 0.211 74 L C 2.742 179.665 176.870 0.088 0.000 1.071 74 L CA 1.651 56.574 54.840 0.138 0.000 0.749 74 L CB -0.627 41.482 42.059 0.082 0.000 0.890 74 L HN 0.355 nan 8.230 nan 0.000 0.431 75 A N -0.054 122.806 122.820 0.067 0.000 1.958 75 A HA -0.248 4.074 4.320 0.003 0.000 0.221 75 A C 2.386 180.014 177.584 0.073 0.000 1.178 75 A CA 1.970 54.041 52.037 0.056 0.000 0.642 75 A CB -0.506 18.520 19.000 0.044 0.000 0.816 75 A HN 0.412 nan 8.150 nan 0.000 0.453 76 R N -1.842 118.708 120.500 0.084 0.000 2.308 76 R HA 0.328 4.670 4.340 0.003 0.000 0.202 76 R C 1.727 178.086 176.300 0.099 0.000 0.898 76 R CA 0.103 56.253 56.100 0.083 0.000 1.046 76 R CB -0.098 30.242 30.300 0.068 0.000 1.026 76 R HN 0.519 nan 8.270 nan 0.000 0.512 77 L N 0.121 121.416 121.223 0.120 0.000 2.240 77 L HA -0.036 4.305 4.340 0.003 0.000 0.211 77 L C 0.413 177.379 176.870 0.160 0.000 1.106 77 L CA 0.888 55.810 54.840 0.137 0.000 0.793 77 L CB 0.070 42.235 42.059 0.177 0.000 0.927 77 L HN 0.109 nan 8.230 nan 0.000 0.446 78 H N -0.894 118.197 119.070 0.035 0.000 2.495 78 H HA 0.461 5.019 4.556 0.003 0.000 0.348 78 H C -1.315 174.079 175.328 0.111 0.000 1.113 78 H CA -0.682 55.375 56.048 0.016 0.000 1.195 78 H CB 0.853 30.551 29.762 -0.107 0.000 1.521 78 H HN 0.149 nan 8.280 nan 0.000 0.509 79 H N 5.062 123.810 119.070 -0.536 0.000 3.155 79 H HA 0.167 4.725 4.556 0.003 0.000 0.328 79 H C -2.335 172.847 175.328 -0.243 0.000 1.059 79 H CA -1.493 54.361 56.048 -0.324 0.000 1.378 79 H CB 1.825 31.524 29.762 -0.105 0.000 1.998 79 H HN 0.495 nan 8.280 nan 0.000 0.480 80 P HA -0.125 nan 4.420 nan 0.000 0.218 80 P C 0.273 177.636 177.300 0.104 0.000 1.149 80 P CA 0.924 63.990 63.100 -0.056 0.000 0.817 80 P CB 0.250 31.855 31.700 -0.158 0.000 0.785 81 D N 0.353 120.935 120.400 0.303 0.000 2.339 81 D HA 0.073 4.714 4.640 0.003 0.000 0.256 81 D C -1.469 174.953 176.300 0.204 0.000 1.214 81 D CA -2.314 51.812 54.000 0.211 0.000 0.877 81 D CB 0.918 41.851 40.800 0.223 0.000 1.111 81 D HN -0.062 nan 8.370 nan 0.000 0.478 82 P HA -0.132 nan 4.420 nan 0.000 0.216 82 P C 0.632 178.018 177.300 0.144 0.000 1.150 82 P CA 0.884 64.144 63.100 0.266 0.000 0.843 82 P CB 0.323 32.144 31.700 0.201 0.000 0.787 83 D N -1.391 119.053 120.400 0.073 0.000 2.309 83 D HA -0.103 4.539 4.640 0.003 0.000 0.212 83 D C 0.729 177.022 176.300 -0.011 0.000 0.968 83 D CA 0.823 54.842 54.000 0.032 0.000 0.882 83 D CB -1.047 39.764 40.800 0.017 0.000 0.918 83 D HN 0.198 nan 8.370 nan 0.000 0.503 84 N N 1.702 120.366 118.700 -0.061 0.000 2.405 84 N HA 0.057 4.799 4.740 0.003 0.000 0.260 84 N C -2.581 172.864 175.510 -0.108 0.000 1.152 84 N CA -1.463 51.487 53.050 -0.167 0.000 0.948 84 N CB 0.703 38.894 38.487 -0.493 0.000 1.111 84 N HN -0.132 nan 8.380 nan 0.000 0.485 85 P HA 0.098 nan 4.420 nan 0.000 0.264 85 P C 0.751 178.027 177.300 -0.039 0.000 1.183 85 P CA 0.570 63.644 63.100 -0.043 0.000 0.763 85 P CB 0.533 32.211 31.700 -0.037 0.000 0.807 86 G N 1.472 110.262 108.800 -0.017 0.000 2.195 86 G HA2 -0.190 3.772 3.960 0.003 0.000 0.246 86 G HA3 -0.190 3.772 3.960 0.003 0.000 0.246 86 G C 0.244 175.156 174.900 0.020 0.000 0.984 86 G CA 0.413 45.511 45.100 -0.004 0.000 0.633 86 G HN 0.917 nan 8.290 nan 0.000 0.525 87 T N -1.359 113.212 114.554 0.028 0.000 2.926 87 T HA 0.806 5.158 4.350 0.003 0.000 0.289 87 T C -0.070 174.693 174.700 0.105 0.000 1.054 87 T CA 0.422 62.562 62.100 0.067 0.000 1.015 87 T CB 2.139 71.037 68.868 0.049 0.000 1.167 87 T HN 1.422 nan 8.240 nan 0.000 0.526 88 S N 0.400 116.185 115.700 0.142 0.000 2.536 88 S HA 0.458 4.929 4.470 0.003 0.000 0.298 88 S C 0.133 174.814 174.600 0.135 0.000 1.083 88 S CA -0.901 57.385 58.200 0.142 0.000 0.995 88 S CB 0.892 64.249 63.200 0.261 0.000 1.058 88 S HN 0.950 nan 8.310 nan 0.000 0.488 89 Y N 0.524 120.924 120.300 0.166 0.000 2.466 89 Y HA 0.600 5.152 4.550 0.003 0.000 0.272 89 Y C -0.117 175.925 175.900 0.238 0.000 1.169 89 Y CA -0.972 57.173 58.100 0.076 0.000 1.285 89 Y CB -0.438 38.072 38.460 0.084 0.000 1.078 89 Y HN 0.379 nan 8.280 nan 0.000 0.523 90 V N 2.590 122.661 119.914 0.260 0.000 2.513 90 V HA 0.252 4.374 4.120 0.003 0.000 0.299 90 V C -0.325 175.760 176.094 -0.014 0.000 1.035 90 V CA -0.367 62.079 62.300 0.244 0.000 0.889 90 V CB 1.867 33.819 31.823 0.215 0.000 0.988 90 V HN 0.441 nan 8.190 nan 0.000 0.440 91 D N 1.989 122.228 120.400 -0.267 0.000 2.527 91 D HA 0.198 4.840 4.640 0.003 0.000 0.224 91 D C 0.066 176.131 176.300 -0.392 0.000 1.217 91 D CA -0.209 53.247 54.000 -0.907 0.000 0.819 91 D CB 0.487 40.662 40.800 -1.042 0.000 1.061 91 D HN 0.220 nan 8.370 nan 0.000 0.515 92 K N -0.020 120.470 120.400 0.149 0.000 2.385 92 K HA 0.852 5.174 4.320 0.003 0.000 0.248 92 K C 0.062 176.935 176.600 0.456 0.000 0.955 92 K CA -0.823 55.655 56.287 0.318 0.000 0.816 92 K CB 2.293 34.888 32.500 0.159 0.000 1.250 92 K HN 0.139 nan 8.250 nan 0.000 0.434 93 G N -0.923 108.116 108.800 0.399 0.000 2.523 93 G HA2 0.454 4.416 3.960 0.003 0.000 0.291 93 G HA3 0.454 4.416 3.960 0.003 0.000 0.291 93 G C -1.239 173.565 174.900 -0.160 0.000 1.450 93 G CA -0.630 44.544 45.100 0.122 0.000 0.790 93 G HN 0.515 nan 8.290 nan 0.000 0.496 94 G N -0.450 108.115 108.800 -0.391 0.000 2.393 94 G HA2 0.587 4.549 3.960 0.003 0.000 0.311 94 G HA3 0.587 4.549 3.960 0.003 0.000 0.311 94 G C -0.935 173.615 174.900 -0.583 0.000 1.067 94 G CA -0.212 44.695 45.100 -0.321 0.000 1.000 94 G HN 0.365 nan 8.290 nan 0.000 0.422 95 F N 1.197 121.167 119.950 0.035 0.000 2.546 95 F HA 0.476 5.005 4.527 0.003 0.000 0.320 95 F C 0.580 176.376 175.800 -0.007 0.000 1.076 95 F CA -1.035 56.965 58.000 -0.000 0.000 0.928 95 F CB 1.749 40.714 39.000 -0.059 0.000 1.189 95 F HN 0.183 nan 8.300 nan 0.000 0.465 96 L N 1.960 123.289 121.223 0.176 0.000 2.473 96 L HA 0.115 4.457 4.340 0.003 0.000 0.268 96 L C 0.689 177.601 176.870 0.071 0.000 1.215 96 L CA -0.085 54.816 54.840 0.101 0.000 0.823 96 L CB 0.325 42.435 42.059 0.086 0.000 1.099 96 L HN 0.615 nan 8.230 nan 0.000 0.483 97 D N -0.241 120.187 120.400 0.047 0.000 2.120 97 D HA -0.073 4.569 4.640 0.003 0.000 0.202 97 D C 0.247 176.543 176.300 -0.006 0.000 0.972 97 D CA 1.441 55.451 54.000 0.016 0.000 0.837 97 D CB 0.194 41.008 40.800 0.024 0.000 0.989 97 D HN 0.416 nan 8.370 nan 0.000 0.469 98 D N -0.791 119.620 120.400 0.019 0.000 2.607 98 D HA 0.358 5.000 4.640 0.003 0.000 0.318 98 D C 0.495 176.824 176.300 0.048 0.000 1.212 98 D CA -0.185 53.827 54.000 0.020 0.000 0.861 98 D CB 1.016 41.845 40.800 0.047 0.000 1.064 98 D HN -0.047 nan 8.370 nan 0.000 0.500 99 A N 0.646 123.486 122.820 0.032 0.000 1.969 99 A HA -0.016 4.306 4.320 0.003 0.000 0.218 99 A C 2.014 179.701 177.584 0.171 0.000 1.169 99 A CA 1.635 53.730 52.037 0.096 0.000 0.635 99 A CB 0.062 19.133 19.000 0.119 0.000 0.810 99 A HN 0.393 nan 8.150 nan 0.000 0.445 100 A N -0.393 122.513 122.820 0.143 0.000 2.123 100 A HA 0.412 4.733 4.320 0.003 0.000 0.214 100 A C 1.444 179.198 177.584 0.284 0.000 1.152 100 A CA 0.744 52.958 52.037 0.295 0.000 0.728 100 A CB -0.754 18.352 19.000 0.176 0.000 0.814 100 A HN 0.702 nan 8.150 nan 0.000 0.464 101 G N -0.574 108.349 108.800 0.205 0.000 2.355 101 G HA2 0.450 4.412 3.960 0.003 0.000 0.276 101 G HA3 0.450 4.412 3.960 0.003 0.000 0.276 101 G C -0.964 174.146 174.900 0.349 0.000 1.198 101 G CA -0.149 45.097 45.100 0.243 0.000 0.876 101 G HN 0.200 nan 8.290 nan 0.000 0.478 102 F N 1.871 121.953 119.950 0.219 0.000 2.619 102 F HA 0.437 4.966 4.527 0.003 0.000 0.308 102 F C -1.441 174.478 175.800 0.199 0.000 1.097 102 F CA -1.770 56.310 58.000 0.134 0.000 0.953 102 F CB 2.704 41.738 39.000 0.056 0.000 1.287 102 F HN 0.364 nan 8.300 nan 0.000 0.446 103 D N 3.839 123.921 120.400 -0.531 0.000 2.485 103 D HA 0.466 5.108 4.640 0.003 0.000 0.229 103 D C 0.337 176.220 176.300 -0.695 0.000 1.101 103 D CA 0.242 54.030 54.000 -0.353 0.000 0.906 103 D CB 1.488 42.224 40.800 -0.106 0.000 1.019 103 D HN 0.687 nan 8.370 nan 0.000 0.516 104 A N 3.558 126.041 122.820 -0.562 0.000 1.943 104 A HA -0.023 4.298 4.320 0.003 0.000 0.213 104 A C 1.878 179.369 177.584 -0.155 0.000 1.181 104 A CA 0.469 52.218 52.037 -0.480 0.000 0.653 104 A CB -0.130 18.748 19.000 -0.203 0.000 0.833 104 A HN 0.571 nan 8.150 nan 0.000 0.451 105 E N -0.973 119.167 120.200 -0.100 0.000 2.077 105 E HA -0.204 4.148 4.350 0.003 0.000 0.193 105 E C 1.679 178.184 176.600 -0.159 0.000 0.989 105 E CA 1.261 57.616 56.400 -0.076 0.000 0.800 105 E CB -0.228 29.448 29.700 -0.040 0.000 0.746 105 E HN 0.628 nan 8.360 nan 0.000 0.452 106 F N 0.036 119.758 119.950 -0.379 0.000 2.120 106 F HA -0.221 4.307 4.527 0.003 0.000 0.300 106 F C 1.388 176.751 175.800 -0.728 0.000 1.095 106 F CA 1.467 59.070 58.000 -0.660 0.000 1.249 106 F CB -0.107 38.330 39.000 -0.940 0.000 0.995 106 F HN -0.028 nan 8.300 nan 0.000 0.480 107 F N 0.199 120.071 119.950 -0.130 0.000 2.727 107 F HA 0.340 4.869 4.527 0.003 0.000 0.302 107 F C 1.688 177.437 175.800 -0.084 0.000 1.097 107 F CA 0.466 58.417 58.000 -0.082 0.000 1.330 107 F CB -0.090 38.968 39.000 0.097 0.000 1.084 107 F HN 0.077 nan 8.300 nan 0.000 0.578 108 G N 0.961 109.757 108.800 -0.007 0.000 2.160 108 G HA2 -0.222 3.740 3.960 0.003 0.000 0.244 108 G HA3 -0.222 3.740 3.960 0.003 0.000 0.244 108 G C -0.210 174.733 174.900 0.072 0.000 1.022 108 G CA 0.063 45.172 45.100 0.014 0.000 0.741 108 G HN 0.162 nan 8.290 nan 0.000 0.508 109 V N 0.908 120.869 119.914 0.079 0.000 2.612 109 V HA 0.760 4.882 4.120 0.003 0.000 0.301 109 V C 0.962 177.061 176.094 0.009 0.000 1.046 109 V CA -0.051 62.283 62.300 0.057 0.000 0.946 109 V CB 1.873 33.786 31.823 0.150 0.000 1.003 109 V HN 0.970 nan 8.190 nan 0.000 0.459 110 S N 3.943 119.624 115.700 -0.032 0.000 2.585 110 S HA 0.395 4.867 4.470 0.003 0.000 0.277 110 S C -1.934 172.671 174.600 0.008 0.000 1.241 110 S CA -1.317 56.892 58.200 0.015 0.000 1.041 110 S CB 1.396 64.638 63.200 0.069 0.000 0.987 110 S HN 0.541 nan 8.310 nan 0.000 0.512 111 P HA -0.033 nan 4.420 nan 0.000 0.223 111 P C 1.135 178.555 177.300 0.199 0.000 1.144 111 P CA 0.896 64.138 63.100 0.237 0.000 0.783 111 P CB 0.088 31.986 31.700 0.331 0.000 0.771 112 R N -0.409 120.168 120.500 0.128 0.000 2.062 112 R HA -0.054 4.288 4.340 0.003 0.000 0.226 112 R C 2.372 178.680 176.300 0.014 0.000 1.125 112 R CA 1.155 57.348 56.100 0.155 0.000 0.966 112 R CB -0.602 29.856 30.300 0.262 0.000 0.861 112 R HN 0.190 nan 8.270 nan 0.000 0.433 113 E N 0.408 120.410 120.200 -0.329 0.000 2.118 113 E HA -0.216 4.136 4.350 0.003 0.000 0.195 113 E C 1.765 178.148 176.600 -0.362 0.000 0.992 113 E CA 1.263 57.192 56.400 -0.785 0.000 0.804 113 E CB -0.019 28.947 29.700 -1.223 0.000 0.741 113 E HN 0.381 nan 8.360 nan 0.000 0.458 114 A N 1.297 123.942 122.820 -0.290 0.000 1.858 114 A HA -0.125 4.197 4.320 0.003 0.000 0.216 114 A C 2.473 179.927 177.584 -0.218 0.000 1.190 114 A CA 1.943 53.746 52.037 -0.389 0.000 0.617 114 A CB -1.032 17.465 19.000 -0.839 0.000 0.827 114 A HN 0.430 nan 8.150 nan 0.000 0.443 115 A N -0.351 122.509 122.820 0.066 0.000 1.940 115 A HA 0.112 4.433 4.320 0.003 0.000 0.219 115 A C 2.349 180.049 177.584 0.193 0.000 1.176 115 A CA 2.174 54.380 52.037 0.281 0.000 0.631 115 A CB -0.835 18.356 19.000 0.318 0.000 0.814 115 A HN 1.165 nan 8.150 nan 0.000 0.446 116 A N -1.327 121.549 122.820 0.094 0.000 2.169 116 A HA 0.353 4.675 4.320 0.003 0.000 0.212 116 A C 1.116 178.724 177.584 0.041 0.000 1.153 116 A CA 0.033 52.140 52.037 0.116 0.000 0.756 116 A CB -0.332 18.731 19.000 0.104 0.000 0.813 116 A HN 0.522 nan 8.150 nan 0.000 0.471 117 M N 1.433 120.947 119.600 -0.142 0.000 2.188 117 M HA 0.093 4.575 4.480 0.003 0.000 0.354 117 M C -0.325 175.659 176.300 -0.526 0.000 1.342 117 M CA -0.488 54.631 55.300 -0.301 0.000 1.117 117 M CB 0.398 32.734 32.600 -0.440 0.000 1.670 117 M HN 0.206 nan 8.290 nan 0.000 0.466 118 D N 6.422 126.531 120.400 -0.484 0.000 2.583 118 D HA -0.026 4.616 4.640 0.003 0.000 0.232 118 D C -1.478 174.457 176.300 -0.608 0.000 1.128 118 D CA -1.205 52.393 54.000 -0.669 0.000 0.859 118 D CB 0.879 41.510 40.800 -0.281 0.000 1.169 118 D HN 0.298 nan 8.370 nan 0.000 0.481 119 P HA -0.234 nan 4.420 nan 0.000 0.217 119 P C 1.142 178.309 177.300 -0.222 0.000 1.151 119 P CA 1.478 64.387 63.100 -0.318 0.000 0.849 119 P CB 0.157 31.812 31.700 -0.076 0.000 0.787 120 Q N -0.254 119.449 119.800 -0.162 0.000 2.112 120 Q HA -0.227 4.114 4.340 0.003 0.000 0.206 120 Q C 2.504 178.415 176.000 -0.149 0.000 0.987 120 Q CA 1.588 57.338 55.803 -0.088 0.000 0.858 120 Q CB -0.478 28.249 28.738 -0.017 0.000 0.905 120 Q HN 0.466 nan 8.270 nan 0.000 0.420 121 Q N 0.068 119.735 119.800 -0.222 0.000 2.079 121 Q HA -0.119 4.222 4.340 0.003 0.000 0.200 121 Q C 2.141 177.922 176.000 -0.366 0.000 0.974 121 Q CA 0.994 56.646 55.803 -0.253 0.000 0.840 121 Q CB -0.022 28.559 28.738 -0.260 0.000 0.898 121 Q HN 0.312 nan 8.270 nan 0.000 0.430 122 R N 0.150 120.319 120.500 -0.552 0.000 2.083 122 R HA -0.152 4.190 4.340 0.003 0.000 0.237 122 R C 2.143 178.192 176.300 -0.418 0.000 1.137 122 R CA 1.096 56.681 56.100 -0.857 0.000 0.951 122 R CB -0.389 29.178 30.300 -1.223 0.000 0.851 122 R HN 0.130 nan 8.270 nan 0.000 0.434 123 L N 0.772 121.849 121.223 -0.243 0.000 2.131 123 L HA -0.110 4.232 4.340 0.003 0.000 0.210 123 L C 2.224 179.040 176.870 -0.091 0.000 1.092 123 L CA 1.431 56.206 54.840 -0.109 0.000 0.759 123 L CB -0.557 41.477 42.059 -0.042 0.000 0.903 123 L HN 0.166 nan 8.230 nan 0.000 0.435 124 L N -1.649 119.505 121.223 -0.115 0.000 2.141 124 L HA -0.205 4.137 4.340 0.003 0.000 0.209 124 L C 2.394 179.219 176.870 -0.076 0.000 1.094 124 L CA 0.806 55.606 54.840 -0.067 0.000 0.763 124 L CB -0.315 41.705 42.059 -0.065 0.000 0.908 124 L HN 0.257 nan 8.230 nan 0.000 0.437 125 L N -0.641 120.461 121.223 -0.201 0.000 2.056 125 L HA -0.203 4.138 4.340 0.003 0.000 0.207 125 L C 2.537 179.289 176.870 -0.195 0.000 1.078 125 L CA 1.405 56.059 54.840 -0.310 0.000 0.749 125 L CB -0.330 41.298 42.059 -0.719 0.000 0.901 125 L HN 0.340 nan 8.230 nan 0.000 0.433 126 E N -0.625 119.454 120.200 -0.201 0.000 2.046 126 E HA -0.181 4.171 4.350 0.003 0.000 0.190 126 E C 2.098 178.830 176.600 0.221 0.000 0.982 126 E CA 1.795 58.148 56.400 -0.077 0.000 0.800 126 E CB -0.104 29.403 29.700 -0.321 0.000 0.756 126 E HN 0.545 nan 8.360 nan 0.000 0.449 127 T N -0.265 114.370 114.554 0.135 0.000 2.867 127 T HA -0.132 4.220 4.350 0.003 0.000 0.268 127 T C 2.215 177.035 174.700 0.200 0.000 1.057 127 T CA 1.493 63.700 62.100 0.179 0.000 1.136 127 T CB -0.307 68.629 68.868 0.112 0.000 0.874 127 T HN 0.144 nan 8.240 nan 0.000 0.466 128 S N 0.346 116.153 115.700 0.179 0.000 2.368 128 S HA -0.140 4.331 4.470 0.003 0.000 0.225 128 S C 1.889 176.635 174.600 0.243 0.000 1.030 128 S CA 0.793 59.096 58.200 0.172 0.000 0.999 128 S CB -1.404 61.878 63.200 0.137 0.000 0.844 128 S HN 0.717 nan 8.310 nan 0.000 0.459 129 W N 2.598 124.044 121.300 0.243 0.000 2.317 129 W HA -0.206 4.457 4.660 0.004 0.000 0.318 129 W C 1.894 178.558 176.519 0.242 0.000 1.227 129 W CA 2.203 59.741 57.345 0.321 0.000 1.269 129 W CB -0.562 29.215 29.460 0.527 0.000 1.155 129 W HN 0.477 nan 8.180 nan 0.000 0.484 130 E N 0.236 120.716 120.200 0.466 0.000 2.267 130 E HA -0.251 4.100 4.350 0.003 0.000 0.197 130 E C 1.978 178.643 176.600 0.107 0.000 0.998 130 E CA 1.429 58.002 56.400 0.289 0.000 0.830 130 E CB -0.479 29.401 29.700 0.300 0.000 0.751 130 E HN 0.247 nan 8.360 nan 0.000 0.491 131 L N -0.178 121.093 121.223 0.080 0.000 2.068 131 L HA -0.095 4.247 4.340 0.003 0.000 0.204 131 L C 2.073 178.919 176.870 -0.039 0.000 1.076 131 L CA 1.101 55.960 54.840 0.031 0.000 0.753 131 L CB -0.117 41.968 42.059 0.045 0.000 0.910 131 L HN -0.079 nan 8.230 nan 0.000 0.439 132 V N 0.067 119.924 119.914 -0.094 0.000 2.295 132 V HA -0.265 3.857 4.120 0.003 0.000 0.246 132 V C 2.530 178.516 176.094 -0.180 0.000 1.049 132 V CA 2.134 64.333 62.300 -0.168 0.000 1.024 132 V CB -0.794 30.877 31.823 -0.253 0.000 0.648 132 V HN 0.493 nan 8.190 nan 0.000 0.447 133 E N 0.298 120.379 120.200 -0.198 0.000 2.160 133 E HA -0.234 4.118 4.350 0.003 0.000 0.195 133 E C 1.960 178.525 176.600 -0.058 0.000 0.991 133 E CA 1.494 57.822 56.400 -0.119 0.000 0.810 133 E CB -0.291 29.380 29.700 -0.047 0.000 0.742 133 E HN 0.706 nan 8.360 nan 0.000 0.466 134 N N -0.022 118.654 118.700 -0.041 0.000 2.453 134 N HA -0.075 4.667 4.740 0.003 0.000 0.183 134 N C 1.475 176.951 175.510 -0.058 0.000 1.041 134 N CA 0.436 53.466 53.050 -0.033 0.000 0.900 134 N CB 0.106 38.585 38.487 -0.013 0.000 0.961 134 N HN 0.072 nan 8.380 nan 0.000 0.443 135 A N 0.480 123.248 122.820 -0.086 0.000 2.169 135 A HA 0.285 4.607 4.320 0.003 0.000 0.212 135 A C 1.443 178.967 177.584 -0.100 0.000 1.153 135 A CA 0.676 52.642 52.037 -0.119 0.000 0.756 135 A CB -0.260 18.625 19.000 -0.191 0.000 0.813 135 A HN 0.259 nan 8.150 nan 0.000 0.471 136 G N -0.654 108.106 108.800 -0.066 0.000 2.256 136 G HA2 -0.194 3.768 3.960 0.003 0.000 0.272 136 G HA3 -0.194 3.768 3.960 0.003 0.000 0.272 136 G C -0.206 174.682 174.900 -0.019 0.000 1.076 136 G CA 0.430 45.516 45.100 -0.023 0.000 0.882 136 G HN 0.517 nan 8.290 nan 0.000 0.497 137 I N -0.233 120.295 120.570 -0.070 0.000 2.582 137 I HA 0.295 4.467 4.170 0.003 0.000 0.292 137 I C -0.412 175.652 176.117 -0.088 0.000 1.066 137 I CA -1.148 60.116 61.300 -0.059 0.000 1.053 137 I CB 2.012 39.940 38.000 -0.119 0.000 1.241 137 I HN 0.132 nan 8.210 nan 0.000 0.421 138 D N 7.841 128.210 120.400 -0.052 0.000 2.346 138 D HA 0.140 4.781 4.640 0.003 0.000 0.260 138 D C -1.870 174.360 176.300 -0.115 0.000 1.252 138 D CA -1.945 52.006 54.000 -0.082 0.000 0.895 138 D CB 1.330 42.119 40.800 -0.018 0.000 1.097 138 D HN 0.147 nan 8.370 nan 0.000 0.489 139 P HA -0.109 nan 4.420 nan 0.000 0.228 139 P C 0.552 177.863 177.300 0.018 0.000 1.151 139 P CA 0.791 63.715 63.100 -0.293 0.000 0.770 139 P CB 0.130 31.288 31.700 -0.902 0.000 0.786 140 H N -0.823 118.221 119.070 -0.044 0.000 2.462 140 H HA -0.008 4.549 4.556 0.003 0.000 0.292 140 H C 1.935 177.272 175.328 0.014 0.000 1.049 140 H CA 1.364 57.429 56.048 0.028 0.000 1.334 140 H CB -0.916 28.877 29.762 0.052 0.000 1.404 140 H HN 0.203 nan 8.280 nan 0.000 0.544 141 S N -0.081 115.693 115.700 0.123 0.000 2.507 141 S HA -0.024 4.448 4.470 0.003 0.000 0.235 141 S C 1.785 176.420 174.600 0.058 0.000 0.988 141 S CA 0.494 58.742 58.200 0.080 0.000 0.944 141 S CB -0.372 62.867 63.200 0.066 0.000 0.762 141 S HN 0.329 nan 8.310 nan 0.000 0.526 142 L N 0.204 121.456 121.223 0.049 0.000 2.567 142 L HA 0.244 4.586 4.340 0.003 0.000 0.225 142 L C 0.982 177.874 176.870 0.037 0.000 1.119 142 L CA -0.214 54.648 54.840 0.037 0.000 0.871 142 L CB -0.137 41.933 42.059 0.019 0.000 1.036 142 L HN 0.116 nan 8.230 nan 0.000 0.459 143 R N 0.814 121.337 120.500 0.038 0.000 2.585 143 R HA 0.146 4.488 4.340 0.003 0.000 0.275 143 R C 1.189 177.497 176.300 0.015 0.000 1.018 143 R CA 0.785 56.894 56.100 0.015 0.000 1.072 143 R CB 0.012 30.302 30.300 -0.018 0.000 0.953 143 R HN 0.292 nan 8.270 nan 0.000 0.419 144 G N 2.290 111.097 108.800 0.012 0.000 2.155 144 G HA2 -0.298 3.664 3.960 0.003 0.000 0.257 144 G HA3 -0.298 3.664 3.960 0.003 0.000 0.257 144 G C 0.230 175.144 174.900 0.022 0.000 0.983 144 G CA 0.674 45.783 45.100 0.015 0.000 0.676 144 G HN 0.593 nan 8.290 nan 0.000 0.528 145 T N 0.183 114.753 114.554 0.027 0.000 2.918 145 T HA 0.593 4.945 4.350 0.003 0.000 0.283 145 T C 1.275 175.996 174.700 0.035 0.000 1.001 145 T CA 0.433 62.552 62.100 0.033 0.000 1.041 145 T CB 1.569 70.460 68.868 0.039 0.000 1.028 145 T HN 1.093 nan 8.240 nan 0.000 0.511 146 A N 2.176 125.020 122.820 0.039 0.000 2.426 146 A HA 0.274 4.596 4.320 0.003 0.000 0.247 146 A C 0.945 178.564 177.584 0.058 0.000 1.389 146 A CA -0.398 51.666 52.037 0.045 0.000 1.129 146 A CB -1.012 18.016 19.000 0.047 0.000 0.928 146 A HN 0.736 nan 8.150 nan 0.000 0.557 147 T N 0.685 115.271 114.554 0.053 0.000 2.916 147 T HA 0.436 4.788 4.350 0.003 0.000 0.303 147 T C 0.714 175.450 174.700 0.060 0.000 1.025 147 T CA 0.491 62.630 62.100 0.065 0.000 1.142 147 T CB 1.367 70.265 68.868 0.051 0.000 0.947 147 T HN 0.495 nan 8.240 nan 0.000 0.544 148 G N 0.739 109.609 108.800 0.116 0.000 2.489 148 G HA2 0.626 4.588 3.960 0.003 0.000 0.327 148 G HA3 0.626 4.588 3.960 0.003 0.000 0.327 148 G C -1.320 173.570 174.900 -0.016 0.000 1.189 148 G CA -0.679 44.446 45.100 0.042 0.000 0.962 148 G HN 0.673 nan 8.290 nan 0.000 0.486 149 V N 0.527 120.167 119.914 -0.455 0.000 2.524 149 V HA 0.464 4.585 4.120 0.003 0.000 0.297 149 V C -1.460 174.297 176.094 -0.562 0.000 1.035 149 V CA -0.573 61.569 62.300 -0.264 0.000 0.867 149 V CB 1.201 32.931 31.823 -0.155 0.000 1.004 149 V HN 0.580 nan 8.190 nan 0.000 0.426 150 F N 5.587 125.552 119.950 0.024 0.000 2.496 150 F HA 0.729 5.258 4.527 0.003 0.000 0.341 150 F C -0.271 175.543 175.800 0.023 0.000 1.134 150 F CA -0.652 57.363 58.000 0.024 0.000 0.968 150 F CB 1.461 40.477 39.000 0.027 0.000 1.205 150 F HN 0.177 nan 8.300 nan 0.000 0.436 151 L N 2.345 123.648 121.223 0.134 0.000 2.386 151 L HA 0.748 5.090 4.340 0.003 0.000 0.271 151 L C 0.385 177.296 176.870 0.067 0.000 0.993 151 L CA -1.193 53.699 54.840 0.087 0.000 0.819 151 L CB 2.194 44.278 42.059 0.041 0.000 1.294 151 L HN 0.716 nan 8.230 nan 0.000 0.414 152 G N 2.061 110.899 108.800 0.063 0.000 2.351 152 G HA2 0.527 4.489 3.960 0.003 0.000 0.287 152 G HA3 0.527 4.489 3.960 0.003 0.000 0.287 152 G C -0.603 174.310 174.900 0.022 0.000 1.159 152 G CA -0.082 45.043 45.100 0.041 0.000 0.929 152 G HN 0.294 nan 8.290 nan 0.000 0.435 153 V N 1.003 120.912 119.914 -0.008 0.000 3.147 153 V HA 0.888 5.010 4.120 0.003 0.000 0.306 153 V C -0.155 175.884 176.094 -0.092 0.000 1.209 153 V CA -0.538 61.741 62.300 -0.035 0.000 1.023 153 V CB 2.042 33.845 31.823 -0.033 0.000 1.059 153 V HN 1.233 nan 8.190 nan 0.000 0.435 154 A N 1.776 124.491 122.820 -0.175 0.000 2.539 154 A HA 0.736 5.058 4.320 0.003 0.000 0.296 154 A C -0.859 176.517 177.584 -0.347 0.000 1.073 154 A CA -0.837 51.033 52.037 -0.278 0.000 0.700 154 A CB 1.518 20.288 19.000 -0.385 0.000 1.296 154 A HN 0.735 nan 8.150 nan 0.000 0.405 155 K N 1.054 121.292 120.400 -0.270 0.000 2.419 155 K HA 0.237 4.559 4.320 0.003 0.000 0.282 155 K C -1.336 175.052 176.600 -0.354 0.000 1.056 155 K CA 0.991 57.154 56.287 -0.208 0.000 1.035 155 K CB -0.056 32.372 32.500 -0.121 0.000 0.921 155 K HN 0.479 nan 8.250 nan 0.000 0.472 156 F N -0.174 119.769 119.950 -0.012 0.000 2.425 156 F HA 0.239 4.768 4.527 0.003 0.000 0.331 156 F C 1.568 177.384 175.800 0.026 0.000 1.085 156 F CA -0.840 57.158 58.000 -0.003 0.000 1.028 156 F CB 1.490 40.505 39.000 0.025 0.000 1.177 156 F HN 0.578 nan 8.300 nan 0.000 0.487 157 G N 1.963 110.882 108.800 0.198 0.000 3.180 157 G HA2 -0.171 3.790 3.960 0.003 0.000 0.246 157 G HA3 -0.171 3.790 3.960 0.003 0.000 0.246 157 G C 0.810 175.764 174.900 0.090 0.000 0.939 157 G CA 0.076 45.234 45.100 0.097 0.000 1.920 157 G HN 0.790 nan 8.290 nan 0.000 0.612 158 Y N 1.279 121.573 120.300 -0.012 0.000 2.014 158 Y HA -0.224 4.328 4.550 0.003 0.000 0.272 158 Y C 2.474 178.290 175.900 -0.139 0.000 1.164 158 Y CA 2.378 60.410 58.100 -0.113 0.000 1.114 158 Y CB -0.314 38.043 38.460 -0.170 0.000 0.961 158 Y HN 0.245 nan 8.280 nan 0.000 0.489 159 G N -0.540 108.150 108.800 -0.183 0.000 2.920 159 G HA2 -0.132 3.830 3.960 0.003 0.000 0.208 159 G HA3 -0.132 3.830 3.960 0.003 0.000 0.208 159 G C 1.294 176.081 174.900 -0.189 0.000 1.159 159 G CA 0.498 45.425 45.100 -0.288 0.000 0.784 159 G HN 0.673 nan 8.290 nan 0.000 0.535 160 E N -0.186 119.939 120.200 -0.125 0.000 2.409 160 E HA -0.048 4.304 4.350 0.003 0.000 0.198 160 E C -0.332 176.229 176.600 -0.064 0.000 1.024 160 E CA 0.754 57.112 56.400 -0.070 0.000 0.861 160 E CB 0.088 29.764 29.700 -0.041 0.000 0.788 160 E HN 0.154 nan 8.360 nan 0.000 0.521 161 D N -0.669 119.682 120.400 -0.081 0.000 3.117 161 D HA 0.006 4.648 4.640 0.003 0.000 0.241 161 D C -0.024 176.238 176.300 -0.064 0.000 1.385 161 D CA 0.080 54.043 54.000 -0.062 0.000 0.855 161 D CB 0.761 41.540 40.800 -0.035 0.000 1.498 161 D HN 0.065 nan 8.370 nan 0.000 0.584 162 T N -0.223 114.273 114.554 -0.096 0.000 2.698 162 T HA 0.446 4.798 4.350 0.003 0.000 0.260 162 T C 0.769 175.445 174.700 -0.040 0.000 1.044 162 T CA 1.742 63.798 62.100 -0.072 0.000 1.149 162 T CB 0.062 68.864 68.868 -0.110 0.000 0.864 162 T HN 0.780 nan 8.240 nan 0.000 0.419 168 V N -1.474 118.362 119.914 -0.130 0.000 3.330 168 V HA 0.041 4.163 4.120 0.003 0.000 0.273 168 V C 1.314 177.288 176.094 -0.199 0.000 1.179 168 V CA 1.326 63.548 62.300 -0.130 0.000 1.174 168 V CB -0.286 31.479 31.823 -0.097 0.000 0.794 168 V HN 0.049 nan 8.190 nan 0.000 0.527 169 E N 1.227 121.214 120.200 -0.356 0.000 2.415 169 E HA 0.374 4.726 4.350 0.003 0.000 0.197 169 E C 1.625 177.996 176.600 -0.381 0.000 1.007 169 E CA 0.716 56.793 56.400 -0.539 0.000 0.890 169 E CB 0.223 29.122 29.700 -1.334 0.000 0.891 169 E HN 0.797 nan 8.360 nan 0.000 0.496 170 G N 0.457 109.113 108.800 -0.240 0.000 2.182 170 G HA2 -0.298 3.664 3.960 0.003 0.000 0.248 170 G HA3 -0.298 3.664 3.960 0.003 0.000 0.248 170 G C 0.284 175.221 174.900 0.063 0.000 1.042 170 G CA 0.314 45.370 45.100 -0.073 0.000 0.775 170 G HN 0.178 nan 8.290 nan 0.000 0.501 171 Y N 0.890 121.180 120.300 -0.018 0.000 2.365 171 Y HA 0.062 4.614 4.550 0.003 0.000 0.293 171 Y C 2.823 178.714 175.900 -0.015 0.000 1.119 171 Y CA 1.166 59.256 58.100 -0.017 0.000 1.203 171 Y CB -0.315 38.144 38.460 -0.003 0.000 1.026 171 Y HN 0.621 nan 8.280 nan 0.000 0.549 172 S N -1.517 114.274 115.700 0.151 0.000 2.603 172 S HA 0.054 4.525 4.470 0.003 0.000 0.220 172 S C 1.473 176.100 174.600 0.044 0.000 0.967 172 S CA 0.545 58.794 58.200 0.081 0.000 0.920 172 S CB -0.462 62.767 63.200 0.049 0.000 0.773 172 S HN 0.070 nan 8.310 nan 0.000 0.529 173 V N 0.731 120.669 119.914 0.040 0.000 2.806 173 V HA 0.069 4.191 4.120 0.003 0.000 0.239 173 V C 2.731 178.830 176.094 0.009 0.000 1.113 173 V CA 1.426 63.734 62.300 0.014 0.000 1.137 173 V CB -0.465 31.359 31.823 0.002 0.000 0.865 173 V HN 0.577 nan 8.190 nan 0.000 0.482 174 T N 0.233 114.800 114.554 0.022 0.000 2.951 174 T HA -0.058 4.294 4.350 0.003 0.000 0.268 174 T C 1.748 176.437 174.700 -0.018 0.000 1.073 174 T CA 1.654 63.756 62.100 0.002 0.000 1.134 174 T CB -0.311 68.567 68.868 0.017 0.000 0.884 174 T HN 0.536 nan 8.240 nan 0.000 0.479 175 G N 0.463 109.261 108.800 -0.004 0.000 2.484 175 G HA2 -0.032 3.930 3.960 0.003 0.000 0.218 175 G HA3 -0.032 3.930 3.960 0.003 0.000 0.218 175 G C 1.444 176.311 174.900 -0.056 0.000 1.130 175 G CA 1.207 46.279 45.100 -0.046 0.000 0.784 175 G HN 0.662 nan 8.290 nan 0.000 0.543 176 V N -3.221 116.681 119.914 -0.020 0.000 3.604 176 V HA 0.663 4.785 4.120 0.003 0.000 0.277 176 V C 1.326 177.399 176.094 -0.034 0.000 1.399 176 V CA -0.021 62.269 62.300 -0.017 0.000 1.034 176 V CB -0.285 31.555 31.823 0.029 0.000 0.824 176 V HN 0.327 nan 8.190 nan 0.000 0.439 177 A N 2.556 125.355 122.820 -0.035 0.000 2.540 177 A HA 0.296 4.618 4.320 0.003 0.000 0.264 177 A C -0.585 176.968 177.584 -0.051 0.000 1.080 177 A CA -0.154 51.858 52.037 -0.041 0.000 0.776 177 A CB -0.448 18.529 19.000 -0.038 0.000 1.011 177 A HN 0.428 nan 8.150 nan 0.000 0.514 178 P HA -0.289 nan 4.420 nan 0.000 0.218 178 P C 1.619 178.889 177.300 -0.049 0.000 1.152 178 P CA 2.447 65.513 63.100 -0.057 0.000 0.857 178 P CB 0.176 31.840 31.700 -0.061 0.000 0.787 179 A N -1.119 121.674 122.820 -0.045 0.000 2.015 179 A HA -0.099 4.222 4.320 0.003 0.000 0.219 179 A C 2.159 179.716 177.584 -0.046 0.000 1.163 179 A CA 1.405 53.417 52.037 -0.043 0.000 0.646 179 A CB -1.375 17.602 19.000 -0.038 0.000 0.806 179 A HN 0.098 nan 8.150 nan 0.000 0.448 180 V N -0.444 119.440 119.914 -0.049 0.000 3.041 180 V HA -0.075 4.047 4.120 0.003 0.000 0.260 180 V C 2.782 178.842 176.094 -0.056 0.000 1.105 180 V CA 1.179 63.447 62.300 -0.052 0.000 1.125 180 V CB -0.792 30.997 31.823 -0.057 0.000 0.730 180 V HN 0.576 nan 8.190 nan 0.000 0.479 181 A N 0.957 123.740 122.820 -0.061 0.000 1.969 181 A HA -0.153 4.169 4.320 0.003 0.000 0.218 181 A C 2.460 180.015 177.584 -0.048 0.000 1.169 181 A CA 2.112 54.110 52.037 -0.065 0.000 0.635 181 A CB -0.397 18.565 19.000 -0.063 0.000 0.810 181 A HN 0.629 nan 8.150 nan 0.000 0.445 182 S N -0.333 115.341 115.700 -0.044 0.000 2.356 182 S HA 0.084 4.556 4.470 0.003 0.000 0.219 182 S C 2.154 176.734 174.600 -0.035 0.000 1.036 182 S CA 0.791 58.963 58.200 -0.047 0.000 0.965 182 S CB -1.346 61.809 63.200 -0.074 0.000 0.864 182 S HN 0.650 nan 8.310 nan 0.000 0.471 183 G N 2.117 110.897 108.800 -0.033 0.000 2.505 183 G HA2 -0.294 3.668 3.960 0.003 0.000 0.220 183 G HA3 -0.294 3.668 3.960 0.003 0.000 0.220 183 G C 1.514 176.441 174.900 0.044 0.000 1.145 183 G CA 0.993 46.088 45.100 -0.008 0.000 0.761 183 G HN 0.466 nan 8.290 nan 0.000 0.571 184 R N -0.072 120.447 120.500 0.032 0.000 2.096 184 R HA 0.018 4.360 4.340 0.003 0.000 0.235 184 R C 2.630 178.996 176.300 0.111 0.000 1.127 184 R CA 1.075 57.227 56.100 0.086 0.000 0.968 184 R CB -0.289 30.017 30.300 0.011 0.000 0.861 184 R HN 0.477 nan 8.270 nan 0.000 0.440 185 I N -0.050 120.554 120.570 0.055 0.000 2.226 185 I HA -0.265 3.907 4.170 0.003 0.000 0.245 185 I C 2.094 178.266 176.117 0.092 0.000 1.100 185 I CA 1.304 62.646 61.300 0.070 0.000 1.374 185 I CB -0.247 37.778 38.000 0.042 0.000 1.057 185 I HN 0.124 nan 8.210 nan 0.000 0.413 186 S N -0.114 115.630 115.700 0.075 0.000 2.387 186 S HA -0.188 4.284 4.470 0.003 0.000 0.226 186 S C 1.934 176.603 174.600 0.115 0.000 1.026 186 S CA 0.958 59.201 58.200 0.071 0.000 0.972 186 S CB -0.444 62.779 63.200 0.037 0.000 0.814 186 S HN 0.450 nan 8.310 nan 0.000 0.477 187 Y N 3.163 123.479 120.300 0.027 0.000 2.145 187 Y HA -0.212 4.340 4.550 0.003 0.000 0.286 187 Y C 2.755 178.694 175.900 0.065 0.000 1.145 187 Y CA 1.961 60.082 58.100 0.035 0.000 1.148 187 Y CB -1.027 37.448 38.460 0.025 0.000 0.981 187 Y HN 0.374 nan 8.280 nan 0.000 0.507 188 T N -2.192 112.340 114.554 -0.037 0.000 2.985 188 T HA -0.081 4.270 4.350 0.003 0.000 0.266 188 T C 1.472 176.189 174.700 0.028 0.000 1.076 188 T CA 1.352 63.394 62.100 -0.097 0.000 1.135 188 T CB -0.403 68.555 68.868 0.150 0.000 0.890 188 T HN 0.410 nan 8.240 nan 0.000 0.480 189 M N 0.860 120.515 119.600 0.093 0.000 2.431 189 M HA 0.379 4.861 4.480 0.003 0.000 0.237 189 M C 1.508 177.839 176.300 0.050 0.000 1.130 189 M CA 0.220 55.597 55.300 0.129 0.000 1.002 189 M CB 0.293 32.993 32.600 0.166 0.000 1.524 189 M HN 0.466 nan 8.290 nan 0.000 0.482 190 G N 2.116 110.913 108.800 -0.005 0.000 2.249 190 G HA2 -0.242 3.720 3.960 0.003 0.000 0.273 190 G HA3 -0.242 3.720 3.960 0.003 0.000 0.273 190 G C -0.102 174.809 174.900 0.017 0.000 1.036 190 G CA 0.007 45.100 45.100 -0.011 0.000 0.824 190 G HN 0.460 nan 8.290 nan 0.000 0.504 191 L N -1.105 120.136 121.223 0.030 0.000 2.375 191 L HA 0.547 4.889 4.340 0.003 0.000 0.271 191 L C 1.134 178.019 176.870 0.024 0.000 1.107 191 L CA -0.404 54.454 54.840 0.030 0.000 0.806 191 L CB 1.062 43.140 42.059 0.031 0.000 1.146 191 L HN 0.204 nan 8.230 nan 0.000 0.447 192 E N 0.941 121.154 120.200 0.021 0.000 2.715 192 E HA 0.158 4.510 4.350 0.003 0.000 0.224 192 E C 0.604 177.213 176.600 0.015 0.000 0.962 192 E CA -0.292 56.120 56.400 0.019 0.000 1.145 192 E CB 1.347 31.061 29.700 0.023 0.000 1.083 192 E HN 0.836 nan 8.360 nan 0.000 0.506 193 G N 2.454 111.261 108.800 0.012 0.000 2.563 193 G HA2 0.280 4.242 3.960 0.003 0.000 0.283 193 G HA3 0.280 4.242 3.960 0.003 0.000 0.283 193 G C -2.428 172.443 174.900 -0.047 0.000 1.309 193 G CA -0.983 44.124 45.100 0.011 0.000 1.022 193 G HN -0.150 nan 8.290 nan 0.000 0.501 194 P HA 0.172 nan 4.420 nan 0.000 0.265 194 P C -0.337 176.740 177.300 -0.372 0.000 1.193 194 P CA 0.040 63.049 63.100 -0.151 0.000 0.765 194 P CB 1.088 32.744 31.700 -0.074 0.000 0.823 195 S N 3.196 118.727 115.700 -0.280 0.000 2.659 195 S HA 0.648 5.120 4.470 0.003 0.000 0.312 195 S C -0.631 173.822 174.600 -0.244 0.000 1.114 195 S CA -0.793 57.200 58.200 -0.345 0.000 1.063 195 S CB 0.204 63.281 63.200 -0.206 0.000 0.996 195 S HN 0.241 nan 8.310 nan 0.000 0.478 196 I N 2.901 123.294 120.570 -0.296 0.000 2.418 196 I HA 0.358 4.530 4.170 0.003 0.000 0.287 196 I C 0.008 176.093 176.117 -0.052 0.000 1.008 196 I CA -0.544 60.682 61.300 -0.122 0.000 1.104 196 I CB 2.183 40.165 38.000 -0.029 0.000 1.264 196 I HN 0.556 nan 8.210 nan 0.000 0.438 197 S N 4.583 120.266 115.700 -0.028 0.000 2.554 197 S HA 0.633 5.104 4.470 0.003 0.000 0.278 197 S C -0.390 174.218 174.600 0.014 0.000 1.242 197 S CA -0.519 57.678 58.200 -0.007 0.000 1.051 197 S CB 1.851 65.037 63.200 -0.024 0.000 0.986 197 S HN 0.338 nan 8.310 nan 0.000 0.502 198 V N 2.734 122.663 119.914 0.026 0.000 2.668 198 V HA 0.381 4.503 4.120 0.003 0.000 0.304 198 V C -1.319 174.785 176.094 0.016 0.000 1.071 198 V CA -0.742 61.580 62.300 0.036 0.000 0.894 198 V CB 2.258 34.126 31.823 0.075 0.000 1.008 198 V HN 0.884 nan 8.190 nan 0.000 0.425 199 D N 2.631 123.033 120.400 0.004 0.000 2.454 199 D HA 0.438 5.080 4.640 0.003 0.000 0.247 199 D C 0.236 176.536 176.300 -0.000 0.000 1.129 199 D CA -0.027 53.965 54.000 -0.012 0.000 0.877 199 D CB 1.917 42.693 40.800 -0.040 0.000 1.082 199 D HN 0.421 nan 8.370 nan 0.000 0.537 200 T N 1.814 116.375 114.554 0.012 0.000 3.145 200 T HA 0.584 4.936 4.350 0.003 0.000 0.281 200 T C 0.540 175.257 174.700 0.028 0.000 1.003 200 T CA 0.528 62.640 62.100 0.021 0.000 0.901 200 T CB -0.114 68.771 68.868 0.028 0.000 1.112 200 T HN 0.724 nan 8.240 nan 0.000 0.535 201 A N 0.507 123.336 122.820 0.016 0.000 5.436 201 A HA -0.248 4.074 4.320 0.003 0.000 0.274 201 A C 1.830 179.457 177.584 0.072 0.000 2.149 201 A CA 0.737 52.789 52.037 0.024 0.000 0.715 201 A CB -1.975 17.048 19.000 0.038 0.000 1.126 201 A HN 0.566 nan 8.150 nan 0.000 0.348 202 C N 0.951 120.334 119.300 0.138 0.000 2.413 202 C HA 0.189 4.651 4.460 0.003 0.000 0.292 202 C C 2.463 177.525 174.990 0.120 0.000 1.435 202 C CA 1.515 60.683 59.018 0.250 0.000 1.791 202 C CB -1.899 26.124 27.740 0.471 0.000 1.784 202 C HN 1.379 nan 8.230 nan 0.000 0.548 203 S N -0.383 115.357 115.700 0.066 0.000 2.578 203 S HA 0.086 4.558 4.470 0.003 0.000 0.231 203 S C 1.263 175.884 174.600 0.034 0.000 0.994 203 S CA 0.279 58.491 58.200 0.020 0.000 0.956 203 S CB -0.243 62.954 63.200 -0.005 0.000 0.870 203 S HN 0.490 nan 8.310 nan 0.000 0.494 204 S N 3.015 118.744 115.700 0.049 0.000 2.380 204 S HA -0.172 4.300 4.470 0.003 0.000 0.229 204 S C 2.060 176.693 174.600 0.055 0.000 1.043 204 S CA 1.980 60.208 58.200 0.047 0.000 1.038 204 S CB -0.609 62.616 63.200 0.042 0.000 0.872 204 S HN 0.674 nan 8.310 nan 0.000 0.456 205 S N 1.128 116.861 115.700 0.056 0.000 2.382 205 S HA 0.013 4.485 4.470 0.003 0.000 0.228 205 S C 1.723 176.353 174.600 0.049 0.000 1.027 205 S CA 0.834 59.069 58.200 0.058 0.000 0.991 205 S CB -0.301 62.931 63.200 0.054 0.000 0.823 205 S HN 0.199 nan 8.310 nan 0.000 0.469 206 L N 1.106 122.348 121.223 0.033 0.000 2.131 206 L HA 0.071 4.413 4.340 0.003 0.000 0.206 206 L C 2.274 179.171 176.870 0.045 0.000 1.087 206 L CA 1.007 55.862 54.840 0.026 0.000 0.767 206 L CB -0.885 41.171 42.059 -0.005 0.000 0.917 206 L HN 0.125 nan 8.230 nan 0.000 0.441 207 V N -0.208 119.729 119.914 0.039 0.000 2.255 207 V HA -0.350 3.772 4.120 0.003 0.000 0.247 207 V C 2.738 178.883 176.094 0.085 0.000 1.051 207 V CA 1.711 64.043 62.300 0.052 0.000 1.018 207 V CB -1.244 30.603 31.823 0.040 0.000 0.641 207 V HN 0.508 nan 8.190 nan 0.000 0.445 208 A N -0.166 122.705 122.820 0.085 0.000 1.903 208 A HA -0.281 4.041 4.320 0.003 0.000 0.219 208 A C 2.195 179.802 177.584 0.038 0.000 1.191 208 A CA 2.518 54.621 52.037 0.110 0.000 0.638 208 A CB -0.740 18.338 19.000 0.131 0.000 0.823 208 A HN 0.442 nan 8.150 nan 0.000 0.451 209 L N -0.672 120.573 121.223 0.037 0.000 1.970 209 L HA -0.206 4.136 4.340 0.003 0.000 0.212 209 L C 2.337 179.190 176.870 -0.029 0.000 1.071 209 L CA 2.712 57.550 54.840 -0.005 0.000 0.751 209 L CB -1.296 40.776 42.059 0.022 0.000 0.889 209 L HN 0.629 nan 8.230 nan 0.000 0.432 210 H N -0.553 118.476 119.070 -0.068 0.000 2.362 210 H HA -0.223 4.336 4.556 0.004 0.000 0.294 210 H C 2.202 177.458 175.328 -0.120 0.000 1.113 210 H CA 2.554 58.560 56.048 -0.069 0.000 1.253 210 H CB 0.098 29.844 29.762 -0.027 0.000 1.363 210 H HN 0.370 nan 8.280 nan 0.000 0.494 211 L N -0.456 120.736 121.223 -0.052 0.000 2.109 211 L HA -0.085 4.257 4.340 0.003 0.000 0.207 211 L C 3.078 179.638 176.870 -0.516 0.000 1.086 211 L CA 0.730 55.471 54.840 -0.164 0.000 0.760 211 L CB -0.487 41.554 42.059 -0.029 0.000 0.910 211 L HN 0.232 nan 8.230 nan 0.000 0.437 212 A N 0.046 122.416 122.820 -0.750 0.000 1.877 212 A HA -0.154 4.168 4.320 0.003 0.000 0.216 212 A C 2.334 179.626 177.584 -0.487 0.000 1.186 212 A CA 1.752 53.159 52.037 -1.049 0.000 0.620 212 A CB -0.853 17.716 19.000 -0.717 0.000 0.822 212 A HN 0.173 nan 8.150 nan 0.000 0.443 213 V N 0.080 119.801 119.914 -0.320 0.000 2.392 213 V HA -0.251 3.871 4.120 0.003 0.000 0.249 213 V C 2.617 178.587 176.094 -0.206 0.000 1.059 213 V CA 2.455 64.623 62.300 -0.221 0.000 1.051 213 V CB -0.720 30.982 31.823 -0.200 0.000 0.658 213 V HN 0.682 nan 8.190 nan 0.000 0.455 214 E N 0.170 120.226 120.200 -0.241 0.000 2.077 214 E HA -0.186 4.166 4.350 0.003 0.000 0.193 214 E C 2.467 179.002 176.600 -0.108 0.000 0.989 214 E CA 1.663 57.961 56.400 -0.169 0.000 0.800 214 E CB -0.505 29.103 29.700 -0.153 0.000 0.746 214 E HN 0.459 nan 8.360 nan 0.000 0.452 215 S N -1.123 114.500 115.700 -0.129 0.000 2.402 215 S HA -0.043 4.429 4.470 0.003 0.000 0.229 215 S C 1.813 176.397 174.600 -0.027 0.000 1.021 215 S CA 0.873 59.047 58.200 -0.042 0.000 0.974 215 S CB -0.171 63.028 63.200 -0.002 0.000 0.800 215 S HN 0.257 nan 8.310 nan 0.000 0.484 216 L N 0.877 122.057 121.223 -0.071 0.000 2.044 216 L HA 0.123 4.465 4.340 0.003 0.000 0.205 216 L C 2.725 179.577 176.870 -0.030 0.000 1.075 216 L CA 1.302 56.121 54.840 -0.035 0.000 0.747 216 L CB -0.464 41.567 42.059 -0.046 0.000 0.903 216 L HN 0.200 nan 8.230 nan 0.000 0.435 217 R N 1.176 121.645 120.500 -0.051 0.000 2.159 217 R HA -0.193 4.149 4.340 0.003 0.000 0.237 217 R C 1.643 177.928 176.300 -0.024 0.000 1.131 217 R CA 1.596 57.671 56.100 -0.041 0.000 0.982 217 R CB 0.025 30.290 30.300 -0.059 0.000 0.868 217 R HN 0.397 nan 8.270 nan 0.000 0.453 218 K N -1.925 118.464 120.400 -0.019 0.000 2.455 218 K HA 0.201 4.522 4.320 0.003 0.000 0.206 218 K C 0.574 177.178 176.600 0.007 0.000 1.027 218 K CA 0.486 56.770 56.287 -0.005 0.000 1.113 218 K CB 0.789 33.287 32.500 -0.003 0.000 0.850 218 K HN 0.113 nan 8.250 nan 0.000 0.503 219 G N 2.078 110.883 108.800 0.009 0.000 2.166 219 G HA2 -0.400 3.562 3.960 0.003 0.000 0.260 219 G HA3 -0.400 3.562 3.960 0.003 0.000 0.260 219 G C 0.643 175.562 174.900 0.032 0.000 0.986 219 G CA 0.797 45.909 45.100 0.019 0.000 0.683 219 G HN 0.684 nan 8.290 nan 0.000 0.527 220 E N -0.270 119.954 120.200 0.041 0.000 2.285 220 E HA 0.179 4.531 4.350 0.003 0.000 0.194 220 E C 0.790 177.439 176.600 0.081 0.000 0.997 220 E CA 1.098 57.534 56.400 0.060 0.000 0.845 220 E CB 0.060 29.801 29.700 0.070 0.000 0.782 220 E HN 0.447 nan 8.360 nan 0.000 0.491 221 S N -0.532 115.221 115.700 0.090 0.000 2.542 221 S HA 0.210 4.682 4.470 0.003 0.000 0.293 221 S C 0.259 174.904 174.600 0.074 0.000 1.089 221 S CA -0.392 57.872 58.200 0.107 0.000 0.961 221 S CB 1.931 65.238 63.200 0.178 0.000 1.062 221 S HN 0.255 nan 8.310 nan 0.000 0.483 222 S N 1.327 117.069 115.700 0.071 0.000 2.427 222 S HA 0.335 4.806 4.470 0.003 0.000 0.224 222 S C 0.450 175.089 174.600 0.066 0.000 1.047 222 S CA 0.180 58.415 58.200 0.059 0.000 0.953 222 S CB -0.104 63.129 63.200 0.055 0.000 0.824 222 S HN 0.620 nan 8.310 nan 0.000 0.502 223 M N 0.465 120.111 119.600 0.077 0.000 2.658 223 M HA 0.716 5.197 4.480 0.003 0.000 0.295 223 M C -1.765 174.603 176.300 0.112 0.000 1.248 223 M CA -0.724 54.621 55.300 0.075 0.000 0.843 223 M CB 2.483 35.117 32.600 0.056 0.000 1.749 223 M HN 0.234 nan 8.290 nan 0.000 0.464 224 A N 1.364 124.253 122.820 0.115 0.000 2.437 224 A HA 0.687 5.009 4.320 0.003 0.000 0.293 224 A C -1.201 176.481 177.584 0.164 0.000 1.038 224 A CA -0.630 51.532 52.037 0.209 0.000 0.708 224 A CB 1.249 20.398 19.000 0.249 0.000 1.251 224 A HN 0.529 nan 8.150 nan 0.000 0.409 225 V N 2.514 122.532 119.914 0.173 0.000 2.461 225 V HA 0.518 4.640 4.120 0.003 0.000 0.275 225 V C -0.103 176.101 176.094 0.183 0.000 1.047 225 V CA -0.143 62.234 62.300 0.128 0.000 0.955 225 V CB 0.955 32.830 31.823 0.088 0.000 0.988 225 V HN 0.670 nan 8.190 nan 0.000 0.471 226 V N 3.571 123.566 119.914 0.135 0.000 2.888 226 V HA 1.037 5.158 4.120 0.003 0.000 0.309 226 V C 0.340 176.490 176.094 0.093 0.000 1.114 226 V CA 0.286 62.669 62.300 0.138 0.000 0.940 226 V CB 1.482 33.365 31.823 0.099 0.000 1.021 226 V HN 1.202 nan 8.190 nan 0.000 0.426 227 G N 1.899 110.754 108.800 0.093 0.000 2.368 227 G HA2 0.648 4.610 3.960 0.003 0.000 0.269 227 G HA3 0.648 4.610 3.960 0.003 0.000 0.269 227 G C -0.552 174.392 174.900 0.073 0.000 1.291 227 G CA 0.392 45.536 45.100 0.074 0.000 0.903 227 G HN 1.442 nan 8.290 nan 0.000 0.483 228 G N -1.605 107.234 108.800 0.066 0.000 2.649 228 G HA2 0.940 4.902 3.960 0.003 0.000 0.290 228 G HA3 0.940 4.902 3.960 0.003 0.000 0.290 228 G C -1.103 173.834 174.900 0.060 0.000 1.426 228 G CA 0.434 45.571 45.100 0.062 0.000 0.794 228 G HN 2.035 nan 8.290 nan 0.000 0.483 229 A N -1.005 121.851 122.820 0.060 0.000 2.422 229 A HA 0.975 5.297 4.320 0.003 0.000 0.302 229 A C -0.402 177.253 177.584 0.118 0.000 1.041 229 A CA -0.049 52.030 52.037 0.070 0.000 0.708 229 A CB 1.715 20.738 19.000 0.038 0.000 1.257 229 A HN 2.311 nan 8.150 nan 0.000 0.414 230 A N 1.663 124.575 122.820 0.155 0.000 2.414 230 A HA 0.660 4.982 4.320 0.003 0.000 0.286 230 A C -1.273 176.404 177.584 0.155 0.000 1.073 230 A CA -0.382 51.822 52.037 0.279 0.000 0.727 230 A CB 1.141 20.324 19.000 0.305 0.000 1.215 230 A HN 1.392 nan 8.150 nan 0.000 0.430 231 V N 3.604 123.623 119.914 0.175 0.000 2.525 231 V HA 0.386 4.508 4.120 0.003 0.000 0.299 231 V C -0.096 175.947 176.094 -0.085 0.000 1.034 231 V CA -0.305 62.034 62.300 0.065 0.000 0.863 231 V CB 1.685 33.583 31.823 0.125 0.000 0.999 231 V HN 0.945 nan 8.190 nan 0.000 0.423 232 M N 3.614 123.068 119.600 -0.243 0.000 2.135 232 M HA 0.349 4.831 4.480 0.003 0.000 0.345 232 M C 1.185 177.659 176.300 0.289 0.000 1.340 232 M CA -0.181 54.930 55.300 -0.315 0.000 1.162 232 M CB 1.310 33.773 32.600 -0.228 0.000 1.570 232 M HN 0.828 nan 8.290 nan 0.000 0.454 233 A N 2.563 125.592 122.820 0.348 0.000 1.930 233 A HA 0.017 4.338 4.320 0.003 0.000 0.215 233 A C 1.113 179.074 177.584 0.629 0.000 1.176 233 A CA 1.318 53.700 52.037 0.575 0.000 0.632 233 A CB -0.142 19.112 19.000 0.423 0.000 0.819 233 A HN 0.727 nan 8.150 nan 0.000 0.445 234 T N -4.023 110.671 114.554 0.233 0.000 2.912 234 T HA 0.541 4.893 4.350 0.003 0.000 0.288 234 T C -2.391 171.967 174.700 -0.571 0.000 1.030 234 T CA -1.768 60.224 62.100 -0.181 0.000 1.020 234 T CB 2.071 70.881 68.868 -0.097 0.000 1.056 234 T HN 0.001 nan 8.240 nan 0.000 0.480 235 P HA 0.101 nan 4.420 nan 0.000 0.247 235 P C 1.628 178.820 177.300 -0.179 0.000 1.225 235 P CA 0.209 62.847 63.100 -0.770 0.000 0.768 235 P CB -0.639 30.627 31.700 -0.724 0.000 1.020 236 G N 1.924 110.623 108.800 -0.168 0.000 2.556 236 G HA2 -0.342 3.619 3.960 0.003 0.000 0.220 236 G HA3 -0.342 3.619 3.960 0.003 0.000 0.220 236 G C 1.648 176.513 174.900 -0.058 0.000 1.156 236 G CA 1.766 46.821 45.100 -0.076 0.000 0.766 236 G HN 0.328 nan 8.290 nan 0.000 0.583 237 V N -2.314 117.526 119.914 -0.124 0.000 2.407 237 V HA -0.047 4.075 4.120 0.003 0.000 0.248 237 V C 2.487 178.543 176.094 -0.064 0.000 1.055 237 V CA 1.883 64.077 62.300 -0.176 0.000 1.049 237 V CB -0.895 30.611 31.823 -0.527 0.000 0.662 237 V HN 0.182 nan 8.190 nan 0.000 0.455 238 F N 0.853 120.850 119.950 0.078 0.000 2.134 238 F HA -0.038 4.491 4.527 0.003 0.000 0.299 238 F C 2.489 178.370 175.800 0.135 0.000 1.097 238 F CA 1.859 59.974 58.000 0.192 0.000 1.264 238 F CB -0.925 38.224 39.000 0.249 0.000 1.001 238 F HN 0.010 nan 8.300 nan 0.000 0.479 239 V N -0.151 119.897 119.914 0.222 0.000 2.307 239 V HA -0.256 3.866 4.120 0.003 0.000 0.245 239 V C 2.028 178.154 176.094 0.053 0.000 1.045 239 V CA 1.940 64.308 62.300 0.114 0.000 1.024 239 V CB -0.563 31.290 31.823 0.051 0.000 0.651 239 V HN 0.215 nan 8.190 nan 0.000 0.449 240 D N 0.231 120.625 120.400 -0.010 0.000 2.088 240 D HA -0.158 4.484 4.640 0.003 0.000 0.191 240 D C 1.827 178.026 176.300 -0.167 0.000 0.992 240 D CA 1.644 55.551 54.000 -0.154 0.000 0.831 240 D CB -0.400 40.215 40.800 -0.309 0.000 0.973 240 D HN 0.485 nan 8.370 nan 0.000 0.447 241 F N 0.857 120.832 119.950 0.043 0.000 2.802 241 F HA 0.045 4.574 4.527 0.003 0.000 0.300 241 F C 2.467 178.345 175.800 0.131 0.000 1.168 241 F CA 0.143 58.224 58.000 0.135 0.000 1.433 241 F CB 0.019 39.177 39.000 0.263 0.000 1.115 241 F HN -0.177 nan 8.300 nan 0.000 0.582 242 S N -0.274 115.532 115.700 0.177 0.000 2.377 242 S HA -0.128 4.344 4.470 0.003 0.000 0.223 242 S C 2.055 176.785 174.600 0.218 0.000 1.030 242 S CA 0.603 58.826 58.200 0.038 0.000 0.970 242 S CB -0.131 63.028 63.200 -0.069 0.000 0.830 242 S HN 0.152 nan 8.310 nan 0.000 0.473 243 R N 1.610 122.190 120.500 0.133 0.000 2.249 243 R HA 0.018 4.360 4.340 0.003 0.000 0.230 243 R C 1.431 177.805 176.300 0.122 0.000 1.121 243 R CA 1.129 57.294 56.100 0.108 0.000 0.997 243 R CB -0.217 30.103 30.300 0.034 0.000 0.867 243 R HN 0.468 nan 8.270 nan 0.000 0.465 244 Q N -1.103 118.793 119.800 0.161 0.000 2.194 244 Q HA 0.255 4.597 4.340 0.003 0.000 0.214 244 Q C -0.413 175.736 176.000 0.249 0.000 0.838 244 Q CA -0.183 55.725 55.803 0.175 0.000 0.972 244 Q CB 0.731 29.571 28.738 0.170 0.000 1.131 244 Q HN 0.058 nan 8.270 nan 0.000 0.498 245 R N -0.376 120.331 120.500 0.346 0.000 3.525 245 R HA -0.250 4.092 4.340 0.003 0.000 0.276 245 R C 0.602 177.122 176.300 0.367 0.000 1.116 245 R CA 0.490 56.839 56.100 0.415 0.000 0.745 245 R CB -1.918 28.512 30.300 0.218 0.000 1.185 245 R HN 0.391 nan 8.270 nan 0.000 0.454 246 A N -0.112 122.959 122.820 0.419 0.000 2.195 246 A HA 0.211 4.533 4.320 0.003 0.000 0.210 246 A C 0.757 178.539 177.584 0.330 0.000 1.165 246 A CA 0.194 52.478 52.037 0.413 0.000 0.806 246 A CB 0.416 19.862 19.000 0.745 0.000 0.847 246 A HN 0.216 nan 8.150 nan 0.000 0.482 247 L N 0.893 122.331 121.223 0.358 0.000 2.292 247 L HA 0.488 4.829 4.340 0.003 0.000 0.284 247 L C 0.651 177.681 176.870 0.266 0.000 1.065 247 L CA -0.766 54.216 54.840 0.237 0.000 0.806 247 L CB 1.451 43.575 42.059 0.108 0.000 1.175 247 L HN 0.234 nan 8.230 nan 0.000 0.431 248 A N 2.971 125.857 122.820 0.110 0.000 2.545 248 A HA 0.306 4.627 4.320 0.003 0.000 0.253 248 A C 1.274 178.975 177.584 0.194 0.000 1.074 248 A CA 0.505 52.596 52.037 0.091 0.000 0.760 248 A CB 0.394 19.386 19.000 -0.014 0.000 1.005 248 A HN 1.001 nan 8.150 nan 0.000 0.506 249 A N 2.377 125.329 122.820 0.219 0.000 1.859 249 A HA -0.237 4.085 4.320 0.003 0.000 0.217 249 A C 1.940 179.631 177.584 0.180 0.000 1.198 249 A CA 2.051 54.242 52.037 0.257 0.000 0.629 249 A CB -0.731 18.338 19.000 0.115 0.000 0.830 249 A HN 0.916 nan 8.150 nan 0.000 0.446 250 D N -1.211 119.244 120.400 0.091 0.000 2.149 250 D HA -0.144 4.498 4.640 0.003 0.000 0.194 250 D C 1.492 177.823 176.300 0.052 0.000 1.001 250 D CA 2.430 56.456 54.000 0.044 0.000 0.849 250 D CB -0.316 40.475 40.800 -0.015 0.000 0.939 250 D HN 0.789 nan 8.370 nan 0.000 0.449 251 G N 0.426 109.261 108.800 0.059 0.000 2.176 251 G HA2 -0.293 3.668 3.960 0.003 0.000 0.253 251 G HA3 -0.293 3.668 3.960 0.003 0.000 0.253 251 G C 0.364 175.260 174.900 -0.006 0.000 0.979 251 G CA 0.299 45.440 45.100 0.068 0.000 0.641 251 G HN 0.407 nan 8.290 nan 0.000 0.530 252 R N 0.786 121.236 120.500 -0.082 0.000 2.254 252 R HA 0.507 4.849 4.340 0.003 0.000 0.318 252 R C 0.013 176.185 176.300 -0.213 0.000 1.031 252 R CA -0.098 55.884 56.100 -0.197 0.000 0.905 252 R CB 0.928 30.977 30.300 -0.418 0.000 1.050 252 R HN 0.120 nan 8.270 nan 0.000 0.456 253 S N 3.510 119.128 115.700 -0.137 0.000 3.036 253 S HA 0.069 4.541 4.470 0.003 0.000 0.301 253 S C -0.164 174.402 174.600 -0.057 0.000 1.205 253 S CA -0.307 57.828 58.200 -0.107 0.000 0.999 253 S CB 0.081 63.239 63.200 -0.071 0.000 1.337 253 S HN 0.366 nan 8.310 nan 0.000 0.515 254 K N 2.696 123.025 120.400 -0.118 0.000 2.449 254 K HA 0.239 4.561 4.320 0.003 0.000 0.237 254 K C 0.467 177.039 176.600 -0.047 0.000 1.265 254 K CA -0.232 56.044 56.287 -0.019 0.000 1.193 254 K CB -0.033 32.424 32.500 -0.073 0.000 1.515 254 K HN 0.564 nan 8.250 nan 0.000 0.259 255 A N 1.558 124.312 122.820 -0.109 0.000 2.548 255 A HA 0.107 4.429 4.320 0.003 0.000 0.247 255 A C 0.121 177.511 177.584 -0.323 0.000 1.067 255 A CA -0.059 51.730 52.037 -0.414 0.000 0.757 255 A CB -0.741 17.955 19.000 -0.506 0.000 0.996 255 A HN 0.674 nan 8.150 nan 0.000 0.504 256 F N -0.352 119.668 119.950 0.117 0.000 3.084 256 F HA -0.220 4.308 4.527 0.003 0.000 0.286 256 F C 1.119 176.998 175.800 0.132 0.000 0.855 256 F CA 0.731 58.843 58.000 0.186 0.000 1.091 256 F CB -1.873 37.260 39.000 0.223 0.000 1.177 256 F HN 0.830 nan 8.300 nan 0.000 0.542 257 G N -0.649 108.248 108.800 0.161 0.000 2.437 257 G HA2 0.639 4.601 3.960 0.003 0.000 0.319 257 G HA3 0.639 4.601 3.960 0.003 0.000 0.319 257 G C 0.737 175.721 174.900 0.139 0.000 1.158 257 G CA -0.315 44.861 45.100 0.127 0.000 0.899 257 G HN 0.484 nan 8.290 nan 0.000 0.502 258 A N 0.526 123.417 122.820 0.118 0.000 2.019 258 A HA 0.133 4.455 4.320 0.003 0.000 0.219 258 A C 2.110 179.757 177.584 0.105 0.000 1.164 258 A CA 2.005 54.114 52.037 0.121 0.000 0.644 258 A CB -0.246 18.801 19.000 0.077 0.000 0.805 258 A HN 1.154 nan 8.150 nan 0.000 0.449 259 G N -1.241 107.599 108.800 0.067 0.000 3.502 259 G HA2 0.444 4.406 3.960 0.003 0.000 0.267 259 G HA3 0.444 4.406 3.960 0.003 0.000 0.267 259 G C 0.502 175.407 174.900 0.008 0.000 1.090 259 G CA 0.439 45.561 45.100 0.036 0.000 0.795 259 G HN 0.752 nan 8.290 nan 0.000 0.535 260 A N 0.428 123.255 122.820 0.012 0.000 2.591 260 A HA 0.263 4.585 4.320 0.003 0.000 0.244 260 A C 0.798 178.352 177.584 -0.050 0.000 1.031 260 A CA 1.035 53.049 52.037 -0.037 0.000 0.767 260 A CB 0.243 19.221 19.000 -0.037 0.000 0.942 260 A HN 0.264 nan 8.150 nan 0.000 0.514 261 D N 0.207 120.559 120.400 -0.081 0.000 2.399 261 D HA 0.410 5.052 4.640 0.003 0.000 0.269 261 D C 0.491 176.747 176.300 -0.074 0.000 1.105 261 D CA 1.523 55.492 54.000 -0.051 0.000 0.844 261 D CB 0.717 41.498 40.800 -0.032 0.000 1.372 261 D HN 1.329 nan 8.370 nan 0.000 0.517 262 G N -0.502 108.191 108.800 -0.178 0.000 2.347 262 G HA2 0.046 4.008 3.960 0.003 0.000 0.477 262 G HA3 0.046 4.008 3.960 0.003 0.000 0.477 262 G C -0.854 173.830 174.900 -0.361 0.000 1.349 262 G CA -0.918 43.996 45.100 -0.309 0.000 1.000 262 G HN 0.009 nan 8.290 nan 0.000 0.605 263 F N 0.200 120.001 119.950 -0.248 0.000 2.628 263 F HA 0.435 4.963 4.527 0.003 0.000 0.346 263 F C 1.492 176.976 175.800 -0.526 0.000 1.188 263 F CA 1.260 58.956 58.000 -0.507 0.000 1.376 263 F CB 0.577 38.963 39.000 -1.025 0.000 1.104 263 F HN 0.779 nan 8.300 nan 0.000 0.616 264 G N 1.507 110.104 108.800 -0.338 0.000 2.737 264 G HA2 0.569 4.530 3.960 0.003 0.000 0.290 264 G HA3 0.569 4.530 3.960 0.003 0.000 0.290 264 G C -1.584 173.148 174.900 -0.280 0.000 1.482 264 G CA -0.535 44.417 45.100 -0.246 0.000 1.017 264 G HN 0.292 nan 8.290 nan 0.000 0.529 265 F N 1.153 121.112 119.950 0.015 0.000 2.378 265 F HA 0.790 5.318 4.527 0.003 0.000 0.325 265 F C 0.914 176.623 175.800 -0.152 0.000 1.097 265 F CA -0.391 57.508 58.000 -0.167 0.000 1.079 265 F CB 2.232 40.923 39.000 -0.514 0.000 1.240 265 F HN 0.341 nan 8.300 nan 0.000 0.519 266 S N -0.351 115.359 115.700 0.017 0.000 2.625 266 S HA 0.448 4.920 4.470 0.003 0.000 0.271 266 S C -1.393 173.139 174.600 -0.113 0.000 1.161 266 S CA -1.000 57.120 58.200 -0.133 0.000 0.820 266 S CB 1.986 65.162 63.200 -0.039 0.000 1.137 266 S HN 0.526 nan 8.310 nan 0.000 0.470 267 E N 0.044 120.170 120.200 -0.124 0.000 2.191 267 E HA 0.682 5.034 4.350 0.003 0.000 0.274 267 E C -0.209 176.403 176.600 0.020 0.000 0.948 267 E CA -0.839 55.540 56.400 -0.034 0.000 0.802 267 E CB 1.891 31.593 29.700 0.003 0.000 1.137 267 E HN 0.676 nan 8.360 nan 0.000 0.397 268 G N 0.320 109.152 108.800 0.053 0.000 2.698 268 G HA2 0.507 4.469 3.960 0.003 0.000 0.293 268 G HA3 0.507 4.469 3.960 0.003 0.000 0.293 268 G C -1.549 173.393 174.900 0.070 0.000 1.437 268 G CA -0.467 44.670 45.100 0.062 0.000 0.852 268 G HN 0.315 nan 8.290 nan 0.000 0.499 269 V N 0.701 120.653 119.914 0.064 0.000 2.482 269 V HA 0.768 4.890 4.120 0.003 0.000 0.295 269 V C -0.427 175.705 176.094 0.063 0.000 1.026 269 V CA -0.545 61.791 62.300 0.060 0.000 0.856 269 V CB 1.715 33.567 31.823 0.049 0.000 1.001 269 V HN 0.893 nan 8.190 nan 0.000 0.424 270 T N 6.329 120.921 114.554 0.063 0.000 2.971 270 T HA 0.745 5.097 4.350 0.003 0.000 0.304 270 T C -0.852 173.885 174.700 0.061 0.000 1.038 270 T CA -0.439 61.699 62.100 0.063 0.000 1.007 270 T CB 1.490 70.394 68.868 0.062 0.000 1.055 270 T HN 0.383 nan 8.240 nan 0.000 0.451 271 L N 2.519 123.779 121.223 0.060 0.000 2.393 271 L HA 0.938 5.280 4.340 0.003 0.000 0.260 271 L C -0.545 176.354 176.870 0.049 0.000 1.002 271 L CA -1.404 53.471 54.840 0.059 0.000 0.818 271 L CB 2.221 44.318 42.059 0.064 0.000 1.369 271 L HN 0.536 nan 8.230 nan 0.000 0.412 272 V N -0.367 119.574 119.914 0.045 0.000 3.040 272 V HA 0.672 4.794 4.120 0.003 0.000 0.312 272 V C -1.331 174.780 176.094 0.029 0.000 1.115 272 V CA -0.919 61.399 62.300 0.030 0.000 0.998 272 V CB 2.373 34.210 31.823 0.024 0.000 1.042 272 V HN 0.552 nan 8.190 nan 0.000 0.433 273 L N 2.853 124.082 121.223 0.010 0.000 2.298 273 L HA 0.683 5.025 4.340 0.003 0.000 0.284 273 L C -0.574 176.297 176.870 0.002 0.000 1.013 273 L CA -0.161 54.682 54.840 0.005 0.000 0.824 273 L CB 0.867 42.909 42.059 -0.028 0.000 1.221 273 L HN 0.754 nan 8.230 nan 0.000 0.418 274 L N 4.131 125.363 121.223 0.016 0.000 2.400 274 L HA 0.745 5.087 4.340 0.003 0.000 0.264 274 L C -0.248 176.631 176.870 0.016 0.000 1.061 274 L CA -0.674 54.170 54.840 0.006 0.000 0.799 274 L CB 1.703 43.756 42.059 -0.009 0.000 1.240 274 L HN 0.716 nan 8.230 nan 0.000 0.461 275 E N 0.961 121.170 120.200 0.014 0.000 2.381 275 E HA 0.162 4.513 4.350 0.003 0.000 0.281 275 E C -1.582 175.030 176.600 0.020 0.000 1.151 275 E CA -0.917 55.501 56.400 0.030 0.000 0.904 275 E CB 1.372 31.110 29.700 0.063 0.000 1.234 275 E HN 0.624 nan 8.360 nan 0.000 0.427 276 R N 3.185 123.696 120.500 0.018 0.000 2.490 276 R HA 0.138 4.480 4.340 0.003 0.000 0.280 276 R C 0.932 177.238 176.300 0.011 0.000 1.077 276 R CA -0.523 55.581 56.100 0.006 0.000 1.065 276 R CB 0.753 31.052 30.300 -0.001 0.000 1.003 276 R HN 0.607 nan 8.270 nan 0.000 0.470 277 L N 3.443 124.668 121.223 0.003 0.000 2.034 277 L HA -0.305 4.037 4.340 0.003 0.000 0.217 277 L C 2.184 179.054 176.870 0.001 0.000 1.077 277 L CA 2.809 57.650 54.840 0.003 0.000 0.769 277 L CB -0.989 41.068 42.059 -0.004 0.000 0.890 277 L HN 0.950 nan 8.230 nan 0.000 0.435 278 S N -1.827 113.872 115.700 -0.002 0.000 2.419 278 S HA -0.125 4.347 4.470 0.003 0.000 0.233 278 S C 1.740 176.334 174.600 -0.011 0.000 1.016 278 S CA 0.978 59.173 58.200 -0.008 0.000 0.974 278 S CB -0.502 62.694 63.200 -0.007 0.000 0.786 278 S HN 0.576 nan 8.310 nan 0.000 0.492 279 E N 1.884 122.083 120.200 -0.001 0.000 2.076 279 E HA 0.154 4.505 4.350 0.003 0.000 0.190 279 E C 2.477 179.062 176.600 -0.025 0.000 0.979 279 E CA 1.032 57.430 56.400 -0.004 0.000 0.807 279 E CB -0.682 29.032 29.700 0.024 0.000 0.761 279 E HN 0.605 nan 8.360 nan 0.000 0.454 280 A N 1.932 124.765 122.820 0.021 0.000 1.940 280 A HA -0.192 4.130 4.320 0.003 0.000 0.219 280 A C 2.093 179.649 177.584 -0.047 0.000 1.176 280 A CA 1.274 53.336 52.037 0.040 0.000 0.631 280 A CB -0.244 18.811 19.000 0.091 0.000 0.814 280 A HN 0.001 nan 8.150 nan 0.000 0.446 281 R N -0.230 120.249 120.500 -0.036 0.000 2.062 281 R HA 0.014 4.356 4.340 0.003 0.000 0.229 281 R C 2.227 178.483 176.300 -0.075 0.000 1.128 281 R CA 1.313 57.385 56.100 -0.046 0.000 0.960 281 R CB -0.890 29.394 30.300 -0.027 0.000 0.855 281 R HN 0.610 nan 8.270 nan 0.000 0.432 282 R N 0.778 121.232 120.500 -0.076 0.000 2.103 282 R HA -0.128 4.214 4.340 0.003 0.000 0.234 282 R C 1.639 177.855 176.300 -0.140 0.000 1.132 282 R CA 2.083 58.132 56.100 -0.085 0.000 0.925 282 R CB -0.455 29.805 30.300 -0.066 0.000 0.842 282 R HN 0.260 nan 8.270 nan 0.000 0.430 283 N N -0.714 117.836 118.700 -0.251 0.000 2.571 283 N HA 0.020 4.762 4.740 0.003 0.000 0.189 283 N C 0.660 175.925 175.510 -0.407 0.000 1.154 283 N CA 1.030 53.840 53.050 -0.399 0.000 0.907 283 N CB 0.341 38.391 38.487 -0.730 0.000 0.977 283 N HN 0.498 nan 8.380 nan 0.000 0.449 284 G N 0.193 108.834 108.800 -0.265 0.000 2.176 284 G HA2 -0.308 3.654 3.960 0.003 0.000 0.252 284 G HA3 -0.308 3.654 3.960 0.003 0.000 0.252 284 G C -0.624 174.248 174.900 -0.048 0.000 1.024 284 G CA -0.139 44.886 45.100 -0.126 0.000 0.755 284 G HN 0.597 nan 8.290 nan 0.000 0.507 285 H N 0.130 119.195 119.070 -0.008 0.000 2.722 285 H HA 0.371 4.929 4.556 0.003 0.000 0.328 285 H C 0.644 175.961 175.328 -0.018 0.000 1.067 285 H CA -0.276 55.765 56.048 -0.013 0.000 1.447 285 H CB 0.950 30.705 29.762 -0.012 0.000 1.469 285 H HN 0.427 nan 8.280 nan 0.000 0.544 286 E N 3.130 123.395 120.200 0.108 0.000 2.366 286 E HA 0.042 4.394 4.350 0.003 0.000 0.266 286 E C -0.764 175.850 176.600 0.023 0.000 1.015 286 E CA -0.434 55.988 56.400 0.036 0.000 0.906 286 E CB 0.619 30.321 29.700 0.004 0.000 0.979 286 E HN 0.294 nan 8.360 nan 0.000 0.443 287 V N 7.381 127.299 119.914 0.006 0.000 2.364 287 V HA 0.055 4.177 4.120 0.003 0.000 0.272 287 V C 1.114 177.189 176.094 -0.032 0.000 1.036 287 V CA -0.120 62.176 62.300 -0.006 0.000 0.880 287 V CB 1.101 32.920 31.823 -0.007 0.000 0.991 287 V HN 0.780 nan 8.190 nan 0.000 0.460 288 L N 3.899 125.099 121.223 -0.038 0.000 2.307 288 L HA 0.480 4.822 4.340 0.003 0.000 0.211 288 L C 0.949 177.779 176.870 -0.066 0.000 1.099 288 L CA 1.084 55.889 54.840 -0.058 0.000 0.816 288 L CB 0.017 42.043 42.059 -0.056 0.000 0.952 288 L HN 0.804 nan 8.230 nan 0.000 0.455 289 A N -1.304 121.487 122.820 -0.048 0.000 2.456 289 A HA 0.629 4.951 4.320 0.003 0.000 0.294 289 A C -1.761 175.806 177.584 -0.028 0.000 1.057 289 A CA -0.426 51.584 52.037 -0.046 0.000 0.623 289 A CB 1.127 20.104 19.000 -0.039 0.000 1.338 289 A HN -0.271 nan 8.150 nan 0.000 0.464 290 V N 0.171 120.073 119.914 -0.020 0.000 2.760 290 V HA 0.526 4.648 4.120 0.003 0.000 0.309 290 V C -0.848 175.244 176.094 -0.003 0.000 1.077 290 V CA -0.518 61.775 62.300 -0.012 0.000 0.910 290 V CB 2.073 33.888 31.823 -0.013 0.000 1.008 290 V HN 0.929 nan 8.190 nan 0.000 0.424 291 V N 5.879 125.790 119.914 -0.006 0.000 2.353 291 V HA 0.311 4.433 4.120 0.003 0.000 0.264 291 V C 1.025 177.118 176.094 -0.001 0.000 1.049 291 V CA -0.177 62.121 62.300 -0.003 0.000 0.896 291 V CB 0.880 32.694 31.823 -0.014 0.000 1.025 291 V HN 0.910 nan 8.190 nan 0.000 0.475 292 R N 4.260 124.768 120.500 0.013 0.000 2.057 292 R HA 0.322 4.664 4.340 0.003 0.000 0.224 292 R C 0.816 177.129 176.300 0.021 0.000 1.136 292 R CA 1.321 57.432 56.100 0.019 0.000 0.968 292 R CB 0.100 30.421 30.300 0.035 0.000 0.863 292 R HN 0.813 nan 8.270 nan 0.000 0.433 293 G N -1.771 107.049 108.800 0.034 0.000 2.677 293 G HA2 0.488 4.450 3.960 0.003 0.000 0.291 293 G HA3 0.488 4.450 3.960 0.003 0.000 0.291 293 G C -1.600 173.345 174.900 0.076 0.000 1.435 293 G CA -0.161 44.971 45.100 0.053 0.000 0.826 293 G HN 0.164 nan 8.290 nan 0.000 0.491 294 S N -1.308 114.467 115.700 0.126 0.000 2.583 294 S HA 0.780 5.252 4.470 0.003 0.000 0.294 294 S C -0.893 173.894 174.600 0.311 0.000 1.121 294 S CA 0.445 58.774 58.200 0.215 0.000 0.910 294 S CB 0.812 64.148 63.200 0.226 0.000 1.102 294 S HN 2.331 nan 8.310 nan 0.000 0.451 295 A N 3.198 126.122 122.820 0.174 0.000 2.572 295 A HA 0.883 5.205 4.320 0.003 0.000 0.295 295 A C -2.168 175.327 177.584 -0.148 0.000 1.072 295 A CA -0.543 51.513 52.037 0.033 0.000 0.691 295 A CB 1.398 20.456 19.000 0.096 0.000 1.291 295 A HN 0.765 nan 8.150 nan 0.000 0.404 296 L N 2.260 123.334 121.223 -0.249 0.000 2.381 296 L HA 0.694 5.036 4.340 0.003 0.000 0.268 296 L C -0.071 176.760 176.870 -0.065 0.000 0.997 296 L CA -0.058 54.669 54.840 -0.187 0.000 0.818 296 L CB 2.005 43.875 42.059 -0.316 0.000 1.310 296 L HN 1.050 nan 8.230 nan 0.000 0.416 297 N N 1.031 119.723 118.700 -0.014 0.000 3.439 297 N HA 0.476 5.218 4.740 0.003 0.000 0.313 297 N C -1.512 174.002 175.510 0.006 0.000 1.598 297 N CA -0.764 52.284 53.050 -0.004 0.000 0.830 297 N CB 1.101 39.588 38.487 -0.001 0.000 1.849 297 N HN 0.357 nan 8.380 nan 0.000 0.598 298 Q N -0.812 118.987 119.800 -0.001 0.000 2.397 298 Q HA 0.346 4.688 4.340 0.003 0.000 0.275 298 Q C -0.548 175.444 176.000 -0.014 0.000 1.090 298 Q CA -0.475 55.328 55.803 -0.000 0.000 0.809 298 Q CB 2.150 30.889 28.738 0.003 0.000 1.362 298 Q HN 0.629 nan 8.270 nan 0.000 0.431 299 D N 1.483 121.873 120.400 -0.017 0.000 2.182 299 D HA -0.089 4.553 4.640 0.003 0.000 0.201 299 D C 1.150 177.438 176.300 -0.020 0.000 0.986 299 D CA 1.560 55.542 54.000 -0.030 0.000 0.847 299 D CB 0.116 40.902 40.800 -0.024 0.000 0.942 299 D HN 0.861 nan 8.370 nan 0.000 0.467 300 G N 0.812 109.606 108.800 -0.009 0.000 2.574 300 G HA2 -0.252 3.710 3.960 0.003 0.000 0.286 300 G HA3 -0.252 3.710 3.960 0.003 0.000 0.286 300 G C 0.159 175.057 174.900 -0.004 0.000 1.212 300 G CA 0.388 45.484 45.100 -0.006 0.000 0.979 300 G HN 0.668 nan 8.290 nan 0.000 0.557 301 A N 0.601 123.418 122.820 -0.005 0.000 2.666 301 A HA 0.701 5.023 4.320 0.003 0.000 0.312 301 A C 0.892 178.472 177.584 -0.006 0.000 1.471 301 A CA 1.165 53.200 52.037 -0.003 0.000 1.134 301 A CB -0.486 18.513 19.000 -0.003 0.000 1.129 301 A HN 2.110 nan 8.150 nan 0.000 0.539 302 S N 1.561 117.259 115.700 -0.003 0.000 2.816 302 S HA 0.312 4.784 4.470 0.003 0.000 0.253 302 S C 0.847 175.448 174.600 0.001 0.000 1.055 302 S CA -0.609 57.588 58.200 -0.006 0.000 1.032 302 S CB 0.302 63.496 63.200 -0.009 0.000 1.270 302 S HN 0.544 nan 8.310 nan 0.000 0.587 303 N N 1.195 119.897 118.700 0.004 0.000 2.461 303 N HA 0.254 4.996 4.740 0.003 0.000 0.188 303 N C 0.329 175.849 175.510 0.017 0.000 1.134 303 N CA 0.695 53.750 53.050 0.009 0.000 0.878 303 N CB 0.340 38.832 38.487 0.008 0.000 0.972 303 N HN 0.828 nan 8.380 nan 0.000 0.456 304 G N 0.149 108.962 108.800 0.021 0.000 2.351 304 G HA2 0.018 3.980 3.960 0.003 0.000 0.296 304 G HA3 0.018 3.980 3.960 0.003 0.000 0.296 304 G C 0.292 175.214 174.900 0.037 0.000 1.685 304 G CA -0.765 44.352 45.100 0.030 0.000 0.936 304 G HN 0.008 nan 8.290 nan 0.000 0.714 305 L N 1.944 123.189 121.223 0.036 0.000 2.010 305 L HA -0.105 4.237 4.340 0.003 0.000 0.219 305 L C 2.513 179.418 176.870 0.059 0.000 1.077 305 L CA 3.808 58.672 54.840 0.039 0.000 0.773 305 L CB -0.469 41.608 42.059 0.031 0.000 0.892 305 L HN 1.279 nan 8.230 nan 0.000 0.436 306 S N -1.101 114.648 115.700 0.081 0.000 2.614 306 S HA 0.578 5.050 4.470 0.003 0.000 0.230 306 S C 0.652 175.336 174.600 0.139 0.000 0.952 306 S CA -0.228 58.045 58.200 0.121 0.000 0.949 306 S CB -0.654 62.639 63.200 0.155 0.000 0.786 306 S HN 0.602 nan 8.310 nan 0.000 0.478 307 A N 3.097 125.975 122.820 0.097 0.000 2.301 307 A HA 0.741 5.063 4.320 0.003 0.000 0.312 307 A C -2.464 175.156 177.584 0.060 0.000 1.182 307 A CA -1.964 50.125 52.037 0.087 0.000 0.826 307 A CB 0.382 19.417 19.000 0.058 0.000 1.134 307 A HN 0.418 nan 8.150 nan 0.000 0.501 308 P HA 0.187 nan 4.420 nan 0.000 0.275 308 P C -0.414 176.857 177.300 -0.049 0.000 1.228 308 P CA -0.040 63.061 63.100 0.000 0.000 0.786 308 P CB 1.342 33.060 31.700 0.029 0.000 0.927 309 S N 1.266 116.902 115.700 -0.107 0.000 2.474 309 S HA 0.490 4.961 4.470 0.003 0.000 0.321 309 S C 1.521 176.036 174.600 -0.142 0.000 1.080 309 S CA -0.254 57.886 58.200 -0.100 0.000 1.106 309 S CB 0.297 63.450 63.200 -0.078 0.000 0.984 309 S HN 0.544 nan 8.310 nan 0.000 0.464 310 G N 6.018 114.754 108.800 -0.105 0.000 2.511 310 G HA2 -0.090 3.872 3.960 0.003 0.000 0.216 310 G HA3 -0.090 3.872 3.960 0.003 0.000 0.216 310 G C -1.067 173.770 174.900 -0.104 0.000 1.218 310 G CA 0.859 45.896 45.100 -0.105 0.000 0.788 310 G HN 0.613 nan 8.290 nan 0.000 0.560 311 P HA -0.190 nan 4.420 nan 0.000 0.217 311 P C 2.182 179.433 177.300 -0.083 0.000 1.158 311 P CA 2.399 65.457 63.100 -0.071 0.000 0.887 311 P CB -0.262 31.405 31.700 -0.054 0.000 0.792 312 A N -0.755 122.008 122.820 -0.095 0.000 1.933 312 A HA -0.262 4.060 4.320 0.003 0.000 0.218 312 A C 2.291 179.794 177.584 -0.135 0.000 1.175 312 A CA 1.700 53.676 52.037 -0.101 0.000 0.628 312 A CB -1.296 17.643 19.000 -0.101 0.000 0.814 312 A HN 0.217 nan 8.150 nan 0.000 0.444 313 Q N -0.734 118.940 119.800 -0.209 0.000 2.079 313 Q HA -0.147 4.195 4.340 0.003 0.000 0.200 313 Q C 2.399 178.319 176.000 -0.134 0.000 0.974 313 Q CA 1.431 57.089 55.803 -0.242 0.000 0.840 313 Q CB -0.148 28.379 28.738 -0.351 0.000 0.898 313 Q HN 0.627 nan 8.270 nan 0.000 0.430 314 R N 0.401 120.832 120.500 -0.116 0.000 2.082 314 R HA -0.133 4.208 4.340 0.003 0.000 0.234 314 R C 2.270 178.512 176.300 -0.096 0.000 1.136 314 R CA 1.591 57.630 56.100 -0.103 0.000 0.935 314 R CB -0.282 29.966 30.300 -0.088 0.000 0.842 314 R HN 0.184 nan 8.270 nan 0.000 0.430 315 R N 0.104 120.559 120.500 -0.074 0.000 2.127 315 R HA -0.100 4.242 4.340 0.003 0.000 0.238 315 R C 2.323 178.602 176.300 -0.035 0.000 1.134 315 R CA 1.155 57.224 56.100 -0.052 0.000 0.975 315 R CB -0.470 29.806 30.300 -0.040 0.000 0.865 315 R HN 0.116 nan 8.270 nan 0.000 0.447 316 V N 0.979 120.876 119.914 -0.029 0.000 2.488 316 V HA -0.137 3.985 4.120 0.003 0.000 0.246 316 V C 1.971 178.080 176.094 0.026 0.000 1.046 316 V CA 1.347 63.661 62.300 0.024 0.000 1.053 316 V CB -0.109 31.761 31.823 0.078 0.000 0.679 316 V HN 0.226 nan 8.190 nan 0.000 0.458 317 I N -0.141 120.370 120.570 -0.099 0.000 2.127 317 I HA -0.276 3.895 4.170 0.003 0.000 0.241 317 I C 2.685 178.764 176.117 -0.063 0.000 1.075 317 I CA 1.940 63.123 61.300 -0.195 0.000 1.334 317 I CB -0.407 37.382 38.000 -0.352 0.000 1.040 317 I HN 0.192 nan 8.210 nan 0.000 0.405 318 R N 0.120 120.567 120.500 -0.089 0.000 2.189 318 R HA -0.131 4.211 4.340 0.003 0.000 0.223 318 R C 2.194 178.488 176.300 -0.009 0.000 1.092 318 R CA 0.898 56.957 56.100 -0.068 0.000 0.989 318 R CB -0.101 30.154 30.300 -0.074 0.000 0.876 318 R HN 0.553 nan 8.270 nan 0.000 0.457 319 Q N -0.313 119.498 119.800 0.018 0.000 2.163 319 Q HA 0.035 4.377 4.340 0.003 0.000 0.198 319 Q C 2.202 178.250 176.000 0.080 0.000 0.954 319 Q CA 0.948 56.777 55.803 0.043 0.000 0.851 319 Q CB 0.003 28.766 28.738 0.042 0.000 0.928 319 Q HN 0.274 nan 8.270 nan 0.000 0.459 320 A N 1.677 124.571 122.820 0.124 0.000 1.869 320 A HA -0.233 4.089 4.320 0.003 0.000 0.218 320 A C 2.141 179.802 177.584 0.129 0.000 1.203 320 A CA 1.591 53.731 52.037 0.171 0.000 0.638 320 A CB -1.011 18.176 19.000 0.312 0.000 0.831 320 A HN 0.290 nan 8.150 nan 0.000 0.450 321 L N -0.667 120.623 121.223 0.112 0.000 2.012 321 L HA -0.229 4.113 4.340 0.003 0.000 0.210 321 L C 2.706 179.608 176.870 0.053 0.000 1.073 321 L CA 2.041 56.928 54.840 0.078 0.000 0.748 321 L CB -0.611 41.466 42.059 0.030 0.000 0.891 321 L HN 0.714 nan 8.230 nan 0.000 0.431 322 E N 0.283 120.506 120.200 0.039 0.000 2.208 322 E HA -0.186 4.166 4.350 0.003 0.000 0.193 322 E C 2.131 178.753 176.600 0.036 0.000 0.988 322 E CA 1.160 57.577 56.400 0.028 0.000 0.828 322 E CB 0.045 29.755 29.700 0.016 0.000 0.763 322 E HN 0.496 nan 8.360 nan 0.000 0.478 323 S N -0.162 115.567 115.700 0.049 0.000 2.522 323 S HA -0.057 4.415 4.470 0.003 0.000 0.227 323 S C 1.914 176.539 174.600 0.042 0.000 0.986 323 S CA 0.426 58.654 58.200 0.048 0.000 0.929 323 S CB -0.353 62.887 63.200 0.067 0.000 0.769 323 S HN 0.532 nan 8.310 nan 0.000 0.529 324 C N -0.605 118.723 119.300 0.047 0.000 3.104 324 C HA 0.809 5.271 4.460 0.003 0.000 0.284 324 C C 1.702 176.713 174.990 0.035 0.000 1.326 324 C CA -0.561 58.481 59.018 0.039 0.000 1.725 324 C CB -0.903 26.865 27.740 0.047 0.000 2.156 324 C HN 0.828 nan 8.230 nan 0.000 0.638 325 G N 1.454 110.274 108.800 0.033 0.000 2.176 325 G HA2 -0.211 3.751 3.960 0.003 0.000 0.252 325 G HA3 -0.211 3.751 3.960 0.003 0.000 0.252 325 G C -0.224 174.697 174.900 0.035 0.000 1.024 325 G CA 0.586 45.704 45.100 0.029 0.000 0.755 325 G HN 0.669 nan 8.290 nan 0.000 0.507 326 L N -1.121 120.129 121.223 0.045 0.000 2.331 326 L HA 0.831 5.172 4.340 0.003 0.000 0.268 326 L C 0.566 177.463 176.870 0.046 0.000 1.015 326 L CA -1.016 53.857 54.840 0.055 0.000 0.807 326 L CB 1.524 43.631 42.059 0.081 0.000 1.293 326 L HN 0.180 nan 8.230 nan 0.000 0.451 327 E N -0.190 120.041 120.200 0.052 0.000 2.299 327 E HA 0.284 4.636 4.350 0.003 0.000 0.265 327 E C -1.918 174.718 176.600 0.059 0.000 0.911 327 E CA -1.728 54.693 56.400 0.036 0.000 0.789 327 E CB 2.444 32.160 29.700 0.027 0.000 1.246 327 E HN 0.232 nan 8.360 nan 0.000 0.427 328 P HA -0.150 nan 4.420 nan 0.000 0.216 328 P C 1.087 178.498 177.300 0.185 0.000 1.153 328 P CA 1.333 64.458 63.100 0.042 0.000 0.858 328 P CB 0.092 31.732 31.700 -0.099 0.000 0.789 329 G N -0.463 108.402 108.800 0.108 0.000 2.564 329 G HA2 -0.202 3.760 3.960 0.003 0.000 0.216 329 G HA3 -0.202 3.760 3.960 0.003 0.000 0.216 329 G C 0.804 175.771 174.900 0.111 0.000 1.124 329 G CA 0.555 45.716 45.100 0.101 0.000 0.764 329 G HN 0.223 nan 8.290 nan 0.000 0.550 330 D N -0.200 120.276 120.400 0.127 0.000 2.328 330 D HA 0.117 4.759 4.640 0.003 0.000 0.226 330 D C 0.441 176.834 176.300 0.156 0.000 1.066 330 D CA 0.201 54.275 54.000 0.124 0.000 0.861 330 D CB 0.875 41.738 40.800 0.106 0.000 0.912 330 D HN 0.105 nan 8.370 nan 0.000 0.521 331 V N 1.314 121.337 119.914 0.182 0.000 2.555 331 V HA 0.155 4.277 4.120 0.003 0.000 0.302 331 V C 0.672 176.809 176.094 0.071 0.000 1.038 331 V CA -0.644 61.748 62.300 0.154 0.000 0.887 331 V CB 2.699 34.632 31.823 0.183 0.000 0.991 331 V HN -0.097 nan 8.190 nan 0.000 0.434 332 D N 2.416 122.865 120.400 0.082 0.000 2.338 332 D HA 0.337 4.979 4.640 0.003 0.000 0.208 332 D C 0.490 176.734 176.300 -0.094 0.000 0.997 332 D CA 0.845 54.874 54.000 0.047 0.000 0.880 332 D CB 1.370 42.301 40.800 0.220 0.000 0.980 332 D HN 0.621 nan 8.370 nan 0.000 0.509 333 A N 0.444 123.162 122.820 -0.171 0.000 2.594 333 A HA 0.565 4.887 4.320 0.003 0.000 0.295 333 A C -1.407 176.061 177.584 -0.192 0.000 1.071 333 A CA -0.531 51.387 52.037 -0.198 0.000 0.685 333 A CB 2.068 20.841 19.000 -0.378 0.000 1.285 333 A HN -0.088 nan 8.150 nan 0.000 0.405 334 V N 1.680 121.511 119.914 -0.138 0.000 2.531 334 V HA 0.400 4.522 4.120 0.003 0.000 0.301 334 V C -0.446 175.650 176.094 0.003 0.000 1.034 334 V CA -0.589 61.663 62.300 -0.078 0.000 0.865 334 V CB 1.766 33.544 31.823 -0.075 0.000 0.995 334 V HN 0.876 nan 8.190 nan 0.000 0.424 335 E N 3.607 123.819 120.200 0.020 0.000 1.996 335 E HA 0.479 4.831 4.350 0.003 0.000 0.280 335 E C 0.150 176.810 176.600 0.100 0.000 1.092 335 E CA -0.085 56.348 56.400 0.055 0.000 0.862 335 E CB 1.432 31.150 29.700 0.029 0.000 1.066 335 E HN 0.809 nan 8.360 nan 0.000 0.396 336 A N 3.460 126.391 122.820 0.186 0.000 2.332 336 A HA 0.055 4.377 4.320 0.003 0.000 0.258 336 A C 1.277 178.966 177.584 0.175 0.000 1.087 336 A CA -0.152 52.053 52.037 0.280 0.000 0.802 336 A CB 0.239 19.605 19.000 0.610 0.000 1.042 336 A HN 0.888 nan 8.150 nan 0.000 0.489 337 H N 1.558 120.634 119.070 0.009 0.000 2.426 337 H HA -0.138 4.421 4.556 0.004 0.000 0.298 337 H C 1.511 176.827 175.328 -0.020 0.000 1.107 337 H CA 0.924 56.918 56.048 -0.090 0.000 1.298 337 H CB -0.165 29.520 29.762 -0.129 0.000 1.377 337 H HN 1.056 nan 8.280 nan 0.000 0.519 338 G N 1.238 110.039 108.800 0.002 0.000 2.066 338 G HA2 -0.303 3.658 3.960 0.003 0.000 0.238 338 G HA3 -0.303 3.658 3.960 0.003 0.000 0.238 338 G C 0.979 175.649 174.900 -0.383 0.000 0.641 338 G CA 0.924 45.825 45.100 -0.331 0.000 1.049 338 G HN 0.670 nan 8.290 nan 0.000 0.369 339 T N -1.366 112.964 114.554 -0.374 0.000 3.065 339 T HA 0.392 4.744 4.350 0.003 0.000 0.252 339 T C 2.056 176.602 174.700 -0.255 0.000 1.099 339 T CA 0.790 62.724 62.100 -0.277 0.000 1.063 339 T CB 0.454 69.244 68.868 -0.130 0.000 0.948 339 T HN 2.123 nan 8.240 nan 0.000 0.506 340 G N 1.114 109.729 108.800 -0.309 0.000 2.137 340 G HA2 -0.225 3.737 3.960 0.003 0.000 0.237 340 G HA3 -0.225 3.737 3.960 0.003 0.000 0.237 340 G C 0.104 174.843 174.900 -0.269 0.000 1.002 340 G CA 0.064 45.006 45.100 -0.263 0.000 0.702 340 G HN 0.641 nan 8.290 nan 0.000 0.515 341 T N 0.660 115.024 114.554 -0.317 0.000 2.884 341 T HA 0.540 4.892 4.350 0.003 0.000 0.298 341 T C 1.863 176.455 174.700 -0.180 0.000 0.998 341 T CA 0.719 62.618 62.100 -0.335 0.000 1.124 341 T CB 1.350 69.975 68.868 -0.405 0.000 0.931 341 T HN 1.053 nan 8.240 nan 0.000 0.531 342 A N 3.615 126.344 122.820 -0.151 0.000 1.940 342 A HA -0.018 4.304 4.320 0.003 0.000 0.219 342 A C 2.062 179.565 177.584 -0.135 0.000 1.176 342 A CA 1.361 53.328 52.037 -0.116 0.000 0.631 342 A CB -0.480 18.460 19.000 -0.099 0.000 0.814 342 A HN 0.811 nan 8.150 nan 0.000 0.446 343 L N -1.697 119.460 121.223 -0.109 0.000 2.446 343 L HA 0.060 4.402 4.340 0.003 0.000 0.219 343 L C 2.480 179.333 176.870 -0.030 0.000 1.116 343 L CA 0.802 55.595 54.840 -0.077 0.000 0.844 343 L CB -0.332 41.699 42.059 -0.047 0.000 0.970 343 L HN 0.516 nan 8.230 nan 0.000 0.457 344 G N -0.831 107.960 108.800 -0.015 0.000 2.545 344 G HA2 -0.128 3.834 3.960 0.003 0.000 0.212 344 G HA3 -0.128 3.834 3.960 0.003 0.000 0.212 344 G C 1.033 176.000 174.900 0.111 0.000 1.144 344 G CA 0.038 45.172 45.100 0.056 0.000 0.813 344 G HN 0.190 nan 8.290 nan 0.000 0.531 345 D N 1.510 121.968 120.400 0.097 0.000 2.097 345 D HA -0.082 4.560 4.640 0.003 0.000 0.195 345 D C 0.071 176.571 176.300 0.335 0.000 0.989 345 D CA 1.213 55.365 54.000 0.253 0.000 0.827 345 D CB -1.160 39.755 40.800 0.191 0.000 0.966 345 D HN 0.250 nan 8.370 nan 0.000 0.456 346 P HA -0.105 nan 4.420 nan 0.000 0.215 346 P C 2.031 179.363 177.300 0.054 0.000 1.153 346 P CA 0.870 64.034 63.100 0.108 0.000 0.853 346 P CB 0.008 31.747 31.700 0.065 0.000 0.788 347 I N 0.288 120.889 120.570 0.051 0.000 2.127 347 I HA -0.272 3.900 4.170 0.003 0.000 0.241 347 I C 2.875 179.017 176.117 0.041 0.000 1.075 347 I CA 1.913 63.225 61.300 0.020 0.000 1.334 347 I CB -0.687 37.316 38.000 0.004 0.000 1.040 347 I HN 0.036 nan 8.210 nan 0.000 0.405 348 E N 1.220 121.504 120.200 0.139 0.000 2.058 348 E HA -0.261 4.091 4.350 0.003 0.000 0.194 348 E C 2.165 178.865 176.600 0.167 0.000 0.997 348 E CA 1.641 58.176 56.400 0.225 0.000 0.801 348 E CB -0.126 29.857 29.700 0.471 0.000 0.746 348 E HN 0.470 nan 8.360 nan 0.000 0.450 349 A N 0.802 123.704 122.820 0.135 0.000 1.929 349 A HA -0.136 4.186 4.320 0.003 0.000 0.216 349 A C 1.975 179.492 177.584 -0.112 0.000 1.176 349 A CA 1.379 53.387 52.037 -0.047 0.000 0.628 349 A CB -0.516 18.389 19.000 -0.158 0.000 0.816 349 A HN 0.280 nan 8.150 nan 0.000 0.444 350 N N 0.494 119.136 118.700 -0.097 0.000 2.309 350 N HA -0.057 4.685 4.740 0.003 0.000 0.182 350 N C 1.823 177.294 175.510 -0.065 0.000 1.018 350 N CA 1.271 54.256 53.050 -0.108 0.000 0.876 350 N CB -0.417 38.012 38.487 -0.097 0.000 0.972 350 N HN 0.479 nan 8.380 nan 0.000 0.434 351 A N 1.352 124.151 122.820 -0.035 0.000 1.873 351 A HA -0.054 4.268 4.320 0.003 0.000 0.215 351 A C 2.362 179.946 177.584 0.000 0.000 1.186 351 A CA 0.844 52.863 52.037 -0.031 0.000 0.616 351 A CB -0.752 18.227 19.000 -0.036 0.000 0.823 351 A HN 0.176 nan 8.150 nan 0.000 0.442 352 L N -0.484 120.771 121.223 0.054 0.000 1.971 352 L HA -0.220 4.122 4.340 0.003 0.000 0.215 352 L C 2.488 179.404 176.870 0.077 0.000 1.072 352 L CA 1.401 56.323 54.840 0.136 0.000 0.758 352 L CB -0.714 41.411 42.059 0.110 0.000 0.889 352 L HN 0.345 nan 8.230 nan 0.000 0.433 353 L N -0.245 120.971 121.223 -0.013 0.000 2.351 353 L HA -0.237 4.105 4.340 0.003 0.000 0.220 353 L C 1.513 178.358 176.870 -0.043 0.000 1.127 353 L CA 0.901 55.712 54.840 -0.049 0.000 0.786 353 L CB -0.563 41.418 42.059 -0.130 0.000 0.914 353 L HN 0.398 nan 8.230 nan 0.000 0.443 354 D N -2.033 118.342 120.400 -0.042 0.000 2.367 354 D HA -0.037 4.605 4.640 0.003 0.000 0.207 354 D C 1.956 178.218 176.300 -0.064 0.000 1.034 354 D CA 1.199 55.167 54.000 -0.053 0.000 0.861 354 D CB 0.403 41.167 40.800 -0.060 0.000 0.943 354 D HN 0.385 nan 8.370 nan 0.000 0.515 355 T N -2.685 111.825 114.554 -0.073 0.000 3.151 355 T HA 0.013 4.364 4.350 0.003 0.000 0.239 355 T C 1.847 176.445 174.700 -0.170 0.000 0.979 355 T CA 0.010 62.011 62.100 -0.165 0.000 1.194 355 T CB -0.531 68.163 68.868 -0.290 0.000 0.982 355 T HN -0.073 nan 8.240 nan 0.000 0.428 356 Y N 2.762 123.047 120.300 -0.024 0.000 2.243 356 Y HA 0.425 4.977 4.550 0.003 0.000 0.293 356 Y C 1.939 177.819 175.900 -0.032 0.000 1.124 356 Y CA 0.428 58.519 58.100 -0.015 0.000 1.159 356 Y CB -0.541 37.918 38.460 -0.003 0.000 1.008 356 Y HN 0.447 nan 8.280 nan 0.000 0.527 357 G N -0.644 108.227 108.800 0.117 0.000 2.356 357 G HA2 0.536 4.498 3.960 0.003 0.000 0.298 357 G HA3 0.536 4.498 3.960 0.003 0.000 0.298 357 G C 0.258 175.159 174.900 0.002 0.000 1.145 357 G CA -0.212 44.907 45.100 0.033 0.000 0.850 357 G HN 0.197 nan 8.290 nan 0.000 0.487 358 R N 0.364 120.858 120.500 -0.010 0.000 3.720 358 R HA -0.049 4.293 4.340 0.003 0.000 0.030 358 R C -1.068 175.221 176.300 -0.018 0.000 0.818 358 R CA -0.275 55.812 56.100 -0.022 0.000 2.884 358 R CB -0.278 30.004 30.300 -0.030 0.000 0.974 358 R HN 0.580 nan 8.270 nan 0.000 0.518 359 D N 1.728 122.119 120.400 -0.014 0.000 2.225 359 D HA 0.393 5.035 4.640 0.003 0.000 0.249 359 D C -0.512 175.787 176.300 -0.002 0.000 1.052 359 D CA 0.036 54.031 54.000 -0.009 0.000 0.909 359 D CB 1.503 42.299 40.800 -0.007 0.000 1.186 359 D HN 0.103 nan 8.370 nan 0.000 0.431 360 R N 0.983 121.480 120.500 -0.005 0.000 2.753 360 R HA 0.101 4.443 4.340 0.003 0.000 0.272 360 R C -1.979 174.313 176.300 -0.013 0.000 1.034 360 R CA -0.669 55.427 56.100 -0.006 0.000 0.869 360 R CB 1.235 31.522 30.300 -0.021 0.000 1.264 360 R HN 0.385 nan 8.270 nan 0.000 0.481 361 D N 1.486 121.877 120.400 -0.015 0.000 2.348 361 D HA 0.272 4.913 4.640 0.003 0.000 0.253 361 D C 0.125 176.404 176.300 -0.035 0.000 1.161 361 D CA -0.106 53.884 54.000 -0.017 0.000 0.876 361 D CB 0.744 41.540 40.800 -0.008 0.000 1.160 361 D HN 0.557 nan 8.370 nan 0.000 0.459 362 A N 2.816 125.619 122.820 -0.028 0.000 2.563 362 A HA 0.188 4.510 4.320 0.003 0.000 0.256 362 A C 0.392 177.960 177.584 -0.027 0.000 1.056 362 A CA 0.297 52.315 52.037 -0.032 0.000 0.775 362 A CB -0.167 18.823 19.000 -0.017 0.000 0.973 362 A HN 0.662 nan 8.150 nan 0.000 0.516 363 D N -0.103 120.271 120.400 -0.043 0.000 1.597 363 D HA -0.095 4.547 4.640 0.003 0.000 0.254 363 D C 0.354 176.634 176.300 -0.033 0.000 0.675 363 D CA 1.081 55.068 54.000 -0.022 0.000 1.101 363 D CB -0.634 40.167 40.800 0.002 0.000 1.466 363 D HN 0.647 nan 8.370 nan 0.000 0.788 364 R N 0.985 121.449 120.500 -0.061 0.000 2.564 364 R HA 0.389 4.730 4.340 0.003 0.000 0.282 364 R C -2.632 173.547 176.300 -0.200 0.000 1.573 364 R CA -1.239 54.809 56.100 -0.087 0.000 1.588 364 R CB 1.897 32.194 30.300 -0.005 0.000 1.154 364 R HN 0.133 nan 8.270 nan 0.000 0.606 365 P HA 0.114 nan 4.420 nan 0.000 0.280 365 P C -0.632 176.324 177.300 -0.574 0.000 1.272 365 P CA -0.812 62.039 63.100 -0.415 0.000 0.819 365 P CB 0.924 32.356 31.700 -0.446 0.000 1.122 366 L N 1.464 122.463 121.223 -0.373 0.000 2.418 366 L HA 0.231 4.573 4.340 0.003 0.000 0.274 366 L C -0.605 176.036 176.870 -0.381 0.000 1.135 366 L CA 0.043 54.687 54.840 -0.327 0.000 0.870 366 L CB -0.490 41.452 42.059 -0.194 0.000 1.154 366 L HN 0.255 nan 8.230 nan 0.000 0.462 367 W N 6.233 127.439 121.300 -0.156 0.000 2.287 367 W HA 0.438 5.099 4.660 0.003 0.000 0.313 367 W C -0.475 175.939 176.519 -0.175 0.000 1.267 367 W CA -0.589 56.654 57.345 -0.169 0.000 1.201 367 W CB 0.894 30.217 29.460 -0.229 0.000 1.196 367 W HN 0.317 nan 8.180 nan 0.000 0.536 368 L N 4.197 125.491 121.223 0.119 0.000 2.362 368 L HA 0.913 5.255 4.340 0.003 0.000 0.275 368 L C -0.061 176.840 176.870 0.053 0.000 0.998 368 L CA -0.282 54.567 54.840 0.014 0.000 0.820 368 L CB 1.400 43.401 42.059 -0.096 0.000 1.270 368 L HN 0.486 nan 8.230 nan 0.000 0.415 369 G N 1.392 110.250 108.800 0.097 0.000 2.645 369 G HA2 0.585 4.547 3.960 0.003 0.000 0.292 369 G HA3 0.585 4.547 3.960 0.003 0.000 0.292 369 G C -1.894 173.138 174.900 0.219 0.000 1.415 369 G CA -0.397 44.795 45.100 0.152 0.000 0.785 369 G HN 0.646 nan 8.290 nan 0.000 0.483 370 S N -0.662 115.138 115.700 0.168 0.000 2.736 370 S HA 0.355 4.827 4.470 0.003 0.000 0.285 370 S C 1.272 175.886 174.600 0.024 0.000 1.163 370 S CA -0.005 58.253 58.200 0.098 0.000 1.025 370 S CB 1.223 64.449 63.200 0.043 0.000 1.030 370 S HN 1.407 nan 8.310 nan 0.000 0.486 371 V N 4.780 124.704 119.914 0.016 0.000 2.636 371 V HA -0.208 3.914 4.120 0.003 0.000 0.258 371 V C 2.201 178.289 176.094 -0.010 0.000 1.092 371 V CA 1.774 64.077 62.300 0.005 0.000 1.110 371 V CB -1.074 30.758 31.823 0.015 0.000 0.685 371 V HN 0.843 nan 8.190 nan 0.000 0.481 372 K N 1.537 121.916 120.400 -0.034 0.000 2.365 372 K HA -0.059 4.263 4.320 0.003 0.000 0.199 372 K C 2.437 179.040 176.600 0.004 0.000 1.045 372 K CA 1.337 57.600 56.287 -0.039 0.000 0.962 372 K CB -0.283 32.154 32.500 -0.106 0.000 0.759 372 K HN 0.757 nan 8.250 nan 0.000 0.469 373 S N 1.523 117.233 115.700 0.015 0.000 2.382 373 S HA -0.138 4.334 4.470 0.003 0.000 0.228 373 S C 1.716 176.359 174.600 0.072 0.000 1.027 373 S CA 1.020 59.269 58.200 0.081 0.000 0.991 373 S CB -0.271 62.902 63.200 -0.045 0.000 0.823 373 S HN 0.284 nan 8.310 nan 0.000 0.469 374 N N 1.977 120.679 118.700 0.003 0.000 2.173 374 N HA 0.099 4.841 4.740 0.003 0.000 0.184 374 N C 1.755 177.279 175.510 0.024 0.000 1.025 374 N CA 1.819 54.867 53.050 -0.004 0.000 0.852 374 N CB -0.106 38.366 38.487 -0.025 0.000 0.998 374 N HN 0.759 nan 8.380 nan 0.000 0.427 375 I N -4.104 116.479 120.570 0.022 0.000 4.310 375 I HA 0.421 4.593 4.170 0.003 0.000 0.328 375 I C 0.441 176.568 176.117 0.017 0.000 1.406 375 I CA -0.352 60.960 61.300 0.020 0.000 1.174 375 I CB 0.694 38.706 38.000 0.019 0.000 1.279 375 I HN -0.025 nan 8.210 nan 0.000 0.471 376 G N 2.135 110.945 108.800 0.017 0.000 2.814 376 G HA2 -0.272 3.690 3.960 0.003 0.000 0.677 376 G HA3 -0.272 3.690 3.960 0.003 0.000 0.677 376 G C -0.709 174.218 174.900 0.045 0.000 1.429 376 G CA -0.241 44.870 45.100 0.018 0.000 0.868 376 G HN 0.614 nan 8.290 nan 0.000 0.553 377 H N 1.337 120.385 119.070 -0.038 0.000 3.086 377 H HA 0.366 4.924 4.556 0.003 0.000 0.265 377 H C 2.022 177.384 175.328 0.056 0.000 1.092 377 H CA 0.941 56.994 56.048 0.009 0.000 1.487 377 H CB 0.222 29.989 29.762 0.008 0.000 1.514 377 H HN 0.782 nan 8.280 nan 0.000 0.497 378 T N 0.807 115.535 114.554 0.290 0.000 3.129 378 T HA 0.124 4.476 4.350 0.003 0.000 0.251 378 T C 0.774 175.625 174.700 0.251 0.000 1.117 378 T CA 0.307 62.524 62.100 0.196 0.000 1.034 378 T CB 0.576 69.509 68.868 0.109 0.000 0.968 378 T HN 0.747 nan 8.240 nan 0.000 0.526 379 Q N 0.272 120.354 119.800 0.470 0.000 1.208 379 Q HA -0.260 4.082 4.340 0.003 0.000 0.276 379 Q C 1.687 177.829 176.000 0.238 0.000 0.988 379 Q CA 0.533 56.528 55.803 0.320 0.000 0.848 379 Q CB -1.925 26.898 28.738 0.141 0.000 3.478 379 Q HN 0.403 nan 8.270 nan 0.000 0.445 380 A N 0.269 123.181 122.820 0.153 0.000 1.971 380 A HA -0.129 4.193 4.320 0.003 0.000 0.222 380 A C 1.916 179.564 177.584 0.108 0.000 1.182 380 A CA 3.065 55.165 52.037 0.106 0.000 0.649 380 A CB -0.853 18.187 19.000 0.067 0.000 0.818 380 A HN 0.899 nan 8.150 nan 0.000 0.458 381 A N -1.227 121.665 122.820 0.119 0.000 2.251 381 A HA 0.552 4.874 4.320 0.003 0.000 0.209 381 A C 2.059 179.693 177.584 0.084 0.000 1.187 381 A CA 1.103 53.196 52.037 0.094 0.000 0.823 381 A CB -0.608 18.445 19.000 0.089 0.000 0.846 381 A HN 0.919 nan 8.150 nan 0.000 0.486 382 A N -0.065 122.814 122.820 0.099 0.000 1.898 382 A HA 0.163 4.485 4.320 0.003 0.000 0.216 382 A C 2.249 179.848 177.584 0.024 0.000 1.181 382 A CA 1.761 53.826 52.037 0.047 0.000 0.620 382 A CB -1.044 17.950 19.000 -0.010 0.000 0.819 382 A HN 0.603 nan 8.150 nan 0.000 0.442 383 G N 0.076 108.896 108.800 0.034 0.000 2.434 383 G HA2 -0.131 3.831 3.960 0.003 0.000 0.214 383 G HA3 -0.131 3.831 3.960 0.003 0.000 0.214 383 G C 1.602 176.514 174.900 0.019 0.000 1.202 383 G CA 2.046 47.154 45.100 0.013 0.000 0.788 383 G HN 0.829 nan 8.290 nan 0.000 0.539 384 V N -0.336 119.598 119.914 0.034 0.000 2.380 384 V HA -0.212 3.910 4.120 0.003 0.000 0.251 384 V C 2.726 178.844 176.094 0.040 0.000 1.063 384 V CA 2.621 64.943 62.300 0.038 0.000 1.055 384 V CB -1.686 30.165 31.823 0.047 0.000 0.657 384 V HN 0.321 nan 8.190 nan 0.000 0.455 385 T N 1.161 115.741 114.554 0.042 0.000 2.737 385 T HA -0.015 4.337 4.350 0.003 0.000 0.265 385 T C 2.053 176.778 174.700 0.042 0.000 1.038 385 T CA 1.705 63.832 62.100 0.045 0.000 1.144 385 T CB -0.961 67.935 68.868 0.046 0.000 0.866 385 T HN 0.693 nan 8.240 nan 0.000 0.434 386 G N 1.755 110.572 108.800 0.028 0.000 2.513 386 G HA2 -0.245 3.717 3.960 0.003 0.000 0.219 386 G HA3 -0.245 3.717 3.960 0.003 0.000 0.219 386 G C 1.511 176.433 174.900 0.037 0.000 1.160 386 G CA 0.985 46.102 45.100 0.028 0.000 0.767 386 G HN 0.505 nan 8.290 nan 0.000 0.571 387 L N -0.057 121.184 121.223 0.030 0.000 2.127 387 L HA 0.005 4.347 4.340 0.003 0.000 0.211 387 L C 2.734 179.631 176.870 0.044 0.000 1.089 387 L CA 0.940 55.799 54.840 0.032 0.000 0.757 387 L CB -0.125 41.948 42.059 0.023 0.000 0.899 387 L HN 0.210 nan 8.230 nan 0.000 0.434 388 L N -0.104 121.149 121.223 0.050 0.000 2.027 388 L HA -0.243 4.099 4.340 0.003 0.000 0.206 388 L C 2.632 179.548 176.870 0.076 0.000 1.074 388 L CA 1.707 56.580 54.840 0.055 0.000 0.745 388 L CB -0.685 41.411 42.059 0.062 0.000 0.898 388 L HN 0.341 nan 8.230 nan 0.000 0.433 389 K N 0.445 120.905 120.400 0.100 0.000 2.052 389 K HA -0.245 4.077 4.320 0.003 0.000 0.215 389 K C 1.916 178.601 176.600 0.141 0.000 1.053 389 K CA 2.354 58.728 56.287 0.145 0.000 0.934 389 K CB -0.276 32.294 32.500 0.117 0.000 0.717 389 K HN 0.052 nan 8.250 nan 0.000 0.450 390 V N 0.381 120.361 119.914 0.111 0.000 2.343 390 V HA -0.225 3.897 4.120 0.003 0.000 0.247 390 V C 2.325 178.510 176.094 0.152 0.000 1.051 390 V CA 1.750 64.138 62.300 0.148 0.000 1.036 390 V CB -0.163 31.732 31.823 0.119 0.000 0.654 390 V HN 0.267 nan 8.190 nan 0.000 0.451 391 V N -0.464 119.488 119.914 0.064 0.000 2.453 391 V HA -0.180 3.942 4.120 0.003 0.000 0.247 391 V C 2.211 178.250 176.094 -0.092 0.000 1.048 391 V CA 1.682 63.979 62.300 -0.006 0.000 1.049 391 V CB -0.349 31.462 31.823 -0.020 0.000 0.672 391 V HN 0.447 nan 8.190 nan 0.000 0.457 392 L N -0.020 121.135 121.223 -0.113 0.000 2.141 392 L HA -0.086 4.256 4.340 0.003 0.000 0.209 392 L C 2.617 179.125 176.870 -0.603 0.000 1.094 392 L CA 1.377 56.010 54.840 -0.345 0.000 0.763 392 L CB -0.680 41.252 42.059 -0.212 0.000 0.908 392 L HN 0.332 nan 8.230 nan 0.000 0.437 393 A N -0.047 122.637 122.820 -0.226 0.000 1.930 393 A HA -0.105 4.217 4.320 0.003 0.000 0.217 393 A C 2.253 179.844 177.584 0.012 0.000 1.175 393 A CA 1.150 53.174 52.037 -0.021 0.000 0.627 393 A CB -0.530 18.679 19.000 0.348 0.000 0.815 393 A HN 0.324 nan 8.150 nan 0.000 0.443 394 L N -0.823 120.371 121.223 -0.049 0.000 2.017 394 L HA -0.175 4.166 4.340 0.003 0.000 0.208 394 L C 2.753 179.452 176.870 -0.285 0.000 1.073 394 L CA 1.114 55.785 54.840 -0.282 0.000 0.745 394 L CB -0.462 41.443 42.059 -0.255 0.000 0.894 394 L HN 0.267 nan 8.230 nan 0.000 0.432 395 R N 0.154 120.489 120.500 -0.277 0.000 2.152 395 R HA -0.078 4.264 4.340 0.003 0.000 0.232 395 R C 1.346 177.470 176.300 -0.293 0.000 1.117 395 R CA 0.910 56.846 56.100 -0.274 0.000 0.981 395 R CB -0.737 29.399 30.300 -0.274 0.000 0.870 395 R HN 0.516 nan 8.270 nan 0.000 0.451 396 N N -0.604 117.865 118.700 -0.385 0.000 2.205 396 N HA 0.039 4.781 4.740 0.003 0.000 0.201 396 N C 0.650 176.104 175.510 -0.093 0.000 1.128 396 N CA 0.787 53.660 53.050 -0.294 0.000 0.867 396 N CB 1.131 39.293 38.487 -0.541 0.000 0.996 396 N HN 0.316 nan 8.380 nan 0.000 0.503 397 G N 1.993 110.734 108.800 -0.097 0.000 2.160 397 G HA2 -0.268 3.694 3.960 0.003 0.000 0.251 397 G HA3 -0.268 3.694 3.960 0.003 0.000 0.251 397 G C -0.239 174.742 174.900 0.135 0.000 1.008 397 G CA 0.746 45.832 45.100 -0.022 0.000 0.724 397 G HN 0.580 nan 8.290 nan 0.000 0.514 398 E N -1.155 119.181 120.200 0.227 0.000 2.413 398 E HA 0.716 5.068 4.350 0.003 0.000 0.277 398 E C -0.744 176.086 176.600 0.385 0.000 0.958 398 E CA -1.399 55.188 56.400 0.313 0.000 0.779 398 E CB 1.361 31.213 29.700 0.254 0.000 1.278 398 E HN 0.147 nan 8.360 nan 0.000 0.456 399 L N 2.161 123.489 121.223 0.175 0.000 2.264 399 L HA 0.445 4.786 4.340 0.003 0.000 0.289 399 L C -2.171 174.692 176.870 -0.012 0.000 1.044 399 L CA -1.957 52.891 54.840 0.013 0.000 0.807 399 L CB 0.969 42.831 42.059 -0.328 0.000 1.192 399 L HN 0.402 nan 8.230 nan 0.000 0.425 400 P HA 0.182 nan 4.420 nan 0.000 0.276 400 P C -0.688 176.542 177.300 -0.115 0.000 1.244 400 P CA -0.533 62.525 63.100 -0.071 0.000 0.801 400 P CB 0.915 32.554 31.700 -0.100 0.000 1.006 401 A N 2.010 124.742 122.820 -0.147 0.000 2.407 401 A HA 0.418 4.740 4.320 0.003 0.000 0.248 401 A C 0.345 177.860 177.584 -0.116 0.000 1.082 401 A CA 0.271 52.224 52.037 -0.141 0.000 0.785 401 A CB -0.628 18.284 19.000 -0.147 0.000 1.020 401 A HN 0.522 nan 8.150 nan 0.000 0.489 402 T N 1.931 116.429 114.554 -0.093 0.000 2.928 402 T HA 0.575 4.927 4.350 0.003 0.000 0.284 402 T C 0.059 174.675 174.700 -0.140 0.000 1.008 402 T CA -0.177 61.876 62.100 -0.079 0.000 1.057 402 T CB 0.660 69.533 68.868 0.009 0.000 1.018 402 T HN 0.447 nan 8.240 nan 0.000 0.493 403 L N 1.894 122.979 121.223 -0.231 0.000 2.304 403 L HA 0.523 4.865 4.340 0.003 0.000 0.268 403 L C 0.331 176.937 176.870 -0.439 0.000 1.010 403 L CA -1.235 53.330 54.840 -0.458 0.000 0.813 403 L CB 0.647 42.235 42.059 -0.784 0.000 1.315 403 L HN 0.821 nan 8.230 nan 0.000 0.445 404 H N -0.376 118.678 119.070 -0.028 0.000 2.862 404 H HA -0.092 4.466 4.556 0.003 0.000 0.290 404 H C 0.298 175.615 175.328 -0.018 0.000 1.211 404 H CA 0.815 56.849 56.048 -0.023 0.000 1.140 404 H CB -1.987 27.760 29.762 -0.025 0.000 1.341 404 H HN 0.490 nan 8.280 nan 0.000 0.392 405 V N -3.262 116.661 119.914 0.015 0.000 3.085 405 V HA 0.192 4.313 4.120 0.003 0.000 0.345 405 V C 1.629 177.700 176.094 -0.039 0.000 1.397 405 V CA 0.032 62.323 62.300 -0.015 0.000 1.165 405 V CB 0.797 32.585 31.823 -0.059 0.000 1.153 405 V HN 0.205 nan 8.190 nan 0.000 0.495 406 E N 1.901 122.092 120.200 -0.015 0.000 2.113 406 E HA -0.252 4.100 4.350 0.003 0.000 0.210 406 E C 0.978 177.566 176.600 -0.021 0.000 1.040 406 E CA 2.128 58.517 56.400 -0.017 0.000 0.847 406 E CB 0.252 29.952 29.700 0.001 0.000 0.755 406 E HN 0.864 nan 8.360 nan 0.000 0.459 407 E N 0.818 121.014 120.200 -0.006 0.000 2.185 407 E HA 0.192 4.544 4.350 0.003 0.000 0.261 407 E C -2.566 174.034 176.600 0.000 0.000 0.879 407 E CA -2.664 53.732 56.400 -0.006 0.000 0.756 407 E CB 1.471 31.180 29.700 0.015 0.000 1.152 407 E HN -0.132 nan 8.360 nan 0.000 0.416 408 P HA -0.063 nan 4.420 nan 0.000 0.268 408 P C 0.018 177.429 177.300 0.185 0.000 1.208 408 P CA -0.134 62.929 63.100 -0.063 0.000 0.777 408 P CB 0.749 32.163 31.700 -0.477 0.000 0.875 409 T N 2.725 117.499 114.554 0.367 0.000 2.940 409 T HA 0.117 4.469 4.350 0.003 0.000 0.309 409 T C -1.264 173.642 174.700 0.343 0.000 1.056 409 T CA -1.306 61.008 62.100 0.358 0.000 1.137 409 T CB -0.165 68.983 68.868 0.467 0.000 0.976 409 T HN 0.338 nan 8.240 nan 0.000 0.547 410 P HA 0.073 nan 4.420 nan 0.000 0.240 410 P C 0.438 177.652 177.300 -0.144 0.000 1.190 410 P CA 0.698 63.765 63.100 -0.054 0.000 0.781 410 P CB -0.087 31.516 31.700 -0.162 0.000 0.931 411 H N -1.273 117.838 119.070 0.068 0.000 2.567 411 H HA 0.125 4.683 4.556 0.003 0.000 0.276 411 H C 0.781 176.068 175.328 -0.069 0.000 1.016 411 H CA -0.058 55.996 56.048 0.009 0.000 1.186 411 H CB -0.485 29.293 29.762 0.027 0.000 1.351 411 H HN -0.017 nan 8.280 nan 0.000 0.605 412 V N 1.237 121.109 119.914 -0.069 0.000 3.113 412 V HA 0.138 4.259 4.120 0.003 0.000 0.316 412 V C -0.435 175.347 176.094 -0.520 0.000 1.125 412 V CA -0.998 61.052 62.300 -0.417 0.000 1.026 412 V CB 2.325 33.622 31.823 -0.877 0.000 1.080 412 V HN 0.339 nan 8.190 nan 0.000 0.444 413 D N 0.420 120.460 120.400 -0.600 0.000 2.634 413 D HA 0.117 4.759 4.640 0.003 0.000 0.318 413 D C 0.201 176.324 176.300 -0.295 0.000 1.226 413 D CA -0.372 53.431 54.000 -0.327 0.000 0.899 413 D CB 0.117 40.803 40.800 -0.190 0.000 1.025 413 D HN 0.605 nan 8.370 nan 0.000 0.501 414 W N 1.611 122.902 121.300 -0.014 0.000 2.425 414 W HA -0.199 4.463 4.660 0.003 0.000 0.277 414 W C 2.441 178.944 176.519 -0.027 0.000 1.231 414 W CA 0.694 58.023 57.345 -0.026 0.000 1.248 414 W CB -0.603 28.847 29.460 -0.017 0.000 1.117 414 W HN 0.198 nan 8.180 nan 0.000 0.568 415 S N 1.421 117.229 115.700 0.180 0.000 2.265 415 S HA -0.357 4.115 4.470 0.003 0.000 0.368 415 S C 1.167 175.799 174.600 0.054 0.000 1.046 415 S CA 1.908 60.161 58.200 0.089 0.000 2.010 415 S CB -1.661 61.563 63.200 0.041 0.000 1.582 415 S HN 0.240 nan 8.310 nan 0.000 0.486 416 S N 1.772 117.483 115.700 0.019 0.000 2.592 416 S HA 0.708 5.180 4.470 0.003 0.000 0.305 416 S C 0.495 175.092 174.600 -0.006 0.000 1.118 416 S CA -0.243 57.959 58.200 0.004 0.000 1.075 416 S CB 0.114 63.309 63.200 -0.007 0.000 1.107 416 S HN 1.724 nan 8.310 nan 0.000 0.503 417 G N 2.481 111.280 108.800 -0.002 0.000 2.317 417 G HA2 0.103 4.065 3.960 0.003 0.000 0.196 417 G HA3 0.103 4.065 3.960 0.003 0.000 0.196 417 G C 0.594 175.477 174.900 -0.027 0.000 1.255 417 G CA -0.168 44.921 45.100 -0.018 0.000 1.243 417 G HN 1.092 nan 8.290 nan 0.000 0.535 418 G N -0.515 108.265 108.800 -0.032 0.000 2.471 418 G HA2 0.344 4.306 3.960 0.003 0.000 0.219 418 G HA3 0.344 4.306 3.960 0.003 0.000 0.219 418 G C 0.586 175.441 174.900 -0.075 0.000 1.125 418 G CA 1.816 46.885 45.100 -0.051 0.000 0.775 418 G HN 1.325 nan 8.290 nan 0.000 0.548 419 V N 0.547 120.454 119.914 -0.012 0.000 2.417 419 V HA 0.737 4.859 4.120 0.003 0.000 0.291 419 V C -0.158 175.994 176.094 0.096 0.000 1.024 419 V CA -0.689 61.627 62.300 0.027 0.000 0.861 419 V CB 1.336 33.211 31.823 0.087 0.000 0.985 419 V HN 0.355 nan 8.190 nan 0.000 0.436 420 A N 5.159 127.952 122.820 -0.046 0.000 2.353 420 A HA 0.769 5.091 4.320 0.003 0.000 0.299 420 A C -1.125 176.487 177.584 0.048 0.000 1.089 420 A CA -0.565 51.436 52.037 -0.060 0.000 0.736 420 A CB 1.151 19.951 19.000 -0.334 0.000 1.195 420 A HN 0.624 nan 8.150 nan 0.000 0.447 421 L N 2.141 123.329 121.223 -0.059 0.000 2.426 421 L HA 0.257 4.599 4.340 0.003 0.000 0.271 421 L C 0.471 177.395 176.870 0.089 0.000 1.169 421 L CA -0.270 54.518 54.840 -0.086 0.000 0.836 421 L CB 0.617 42.465 42.059 -0.351 0.000 1.112 421 L HN 0.677 nan 8.230 nan 0.000 0.465 422 L N 5.291 126.559 121.223 0.075 0.000 2.450 422 L HA 0.016 4.357 4.340 0.003 0.000 0.256 422 L C 1.638 178.462 176.870 -0.077 0.000 1.374 422 L CA -0.063 54.763 54.840 -0.024 0.000 1.210 422 L CB -0.359 41.649 42.059 -0.085 0.000 1.394 422 L HN 0.889 nan 8.230 nan 0.000 0.438 423 A N 1.603 124.386 122.820 -0.061 0.000 1.978 423 A HA 0.101 4.423 4.320 0.003 0.000 0.220 423 A C 1.211 178.733 177.584 -0.103 0.000 1.170 423 A CA 1.440 53.428 52.037 -0.081 0.000 0.636 423 A CB -0.191 18.772 19.000 -0.062 0.000 0.810 423 A HN 0.600 nan 8.150 nan 0.000 0.448 424 G N -1.817 106.902 108.800 -0.135 0.000 2.694 424 G HA2 0.460 4.421 3.960 0.003 0.000 0.290 424 G HA3 0.460 4.421 3.960 0.003 0.000 0.290 424 G C -1.258 173.519 174.900 -0.205 0.000 1.386 424 G CA -0.812 44.199 45.100 -0.148 0.000 0.872 424 G HN 0.103 nan 8.290 nan 0.000 0.475 425 N N 0.649 119.243 118.700 -0.177 0.000 2.345 425 N HA 0.223 4.965 4.740 0.003 0.000 0.243 425 N C -0.192 175.173 175.510 -0.242 0.000 1.246 425 N CA 0.452 53.391 53.050 -0.184 0.000 0.863 425 N CB 0.481 38.892 38.487 -0.127 0.000 1.096 425 N HN 0.298 nan 8.380 nan 0.000 0.446 426 Q N 1.796 121.414 119.800 -0.303 0.000 2.337 426 Q HA 0.424 4.766 4.340 0.003 0.000 0.270 426 Q C -2.494 173.416 176.000 -0.151 0.000 1.043 426 Q CA -1.871 53.716 55.803 -0.359 0.000 0.794 426 Q CB 1.885 30.123 28.738 -0.834 0.000 1.281 426 Q HN 0.411 nan 8.270 nan 0.000 0.446 427 P HA -0.040 nan 4.420 nan 0.000 0.264 427 P C -0.534 176.877 177.300 0.184 0.000 1.183 427 P CA 0.197 63.338 63.100 0.069 0.000 0.763 427 P CB 0.383 32.118 31.700 0.058 0.000 0.807 428 W N 5.144 126.433 121.300 -0.017 0.000 1.982 428 W HA 0.310 4.971 4.660 0.003 0.000 0.299 428 W C -0.834 175.686 176.519 0.001 0.000 1.011 428 W CA -0.564 56.782 57.345 0.002 0.000 1.324 428 W CB 0.546 30.004 29.460 -0.005 0.000 1.372 428 W HN 0.241 nan 8.180 nan 0.000 0.323 429 R N 2.313 122.823 120.500 0.015 0.000 2.604 429 R HA 0.574 4.916 4.340 0.003 0.000 0.287 429 R C 0.639 176.851 176.300 -0.146 0.000 0.970 429 R CA -1.141 54.907 56.100 -0.086 0.000 0.946 429 R CB 1.510 31.801 30.300 -0.015 0.000 1.127 429 R HN 0.097 nan 8.270 nan 0.000 0.473 430 R N 0.678 121.075 120.500 -0.171 0.000 2.598 430 R HA -0.063 4.278 4.340 0.003 0.000 0.266 430 R C 0.580 176.835 176.300 -0.075 0.000 0.977 430 R CA 1.498 57.515 56.100 -0.139 0.000 1.097 430 R CB 0.165 30.399 30.300 -0.111 0.000 0.911 430 R HN 1.010 nan 8.270 nan 0.000 0.419 431 G N 1.887 110.652 108.800 -0.057 0.000 1.960 431 G HA2 -0.171 3.791 3.960 0.003 0.000 0.066 431 G HA3 -0.171 3.791 3.960 0.003 0.000 0.066 431 G C 0.171 175.065 174.900 -0.009 0.000 0.709 431 G CA -0.013 45.072 45.100 -0.025 0.000 1.109 431 G HN 0.543 nan 8.290 nan 0.000 0.343 432 E N 1.445 121.650 120.200 0.009 0.000 1.977 432 E HA 0.140 4.492 4.350 0.003 0.000 0.201 432 E C 1.191 177.805 176.600 0.024 0.000 0.976 432 E CA 1.022 57.434 56.400 0.021 0.000 0.868 432 E CB -0.267 29.456 29.700 0.038 0.000 0.816 432 E HN 0.656 nan 8.360 nan 0.000 0.522 433 R N 1.193 121.719 120.500 0.042 0.000 2.582 433 R HA 0.290 4.632 4.340 0.003 0.000 0.271 433 R C -0.381 175.941 176.300 0.036 0.000 1.078 433 R CA -0.347 55.782 56.100 0.049 0.000 1.127 433 R CB 0.089 30.434 30.300 0.076 0.000 1.038 433 R HN -0.074 nan 8.270 nan 0.000 0.500 434 T N 2.142 116.716 114.554 0.032 0.000 2.928 434 T HA 0.057 4.409 4.350 0.003 0.000 0.305 434 T C 0.272 174.991 174.700 0.032 0.000 1.035 434 T CA -0.118 61.988 62.100 0.010 0.000 1.145 434 T CB 0.242 69.119 68.868 0.015 0.000 0.963 434 T HN 0.354 nan 8.240 nan 0.000 0.545 435 R N 2.860 123.330 120.500 -0.050 0.000 2.298 435 R HA 0.388 4.730 4.340 0.003 0.000 0.310 435 R C 0.285 176.640 176.300 0.092 0.000 1.068 435 R CA -0.188 55.893 56.100 -0.031 0.000 0.957 435 R CB 0.581 30.520 30.300 -0.601 0.000 1.003 435 R HN 0.514 nan 8.270 nan 0.000 0.454 436 R N 1.676 122.375 120.500 0.332 0.000 2.621 436 R HA 0.689 5.031 4.340 0.003 0.000 0.284 436 R C -1.329 175.211 176.300 0.399 0.000 0.998 436 R CA -0.991 55.290 56.100 0.302 0.000 0.895 436 R CB 2.321 32.730 30.300 0.182 0.000 1.195 436 R HN 0.589 nan 8.270 nan 0.000 0.450 437 A N 1.214 124.221 122.820 0.312 0.000 2.498 437 A HA 0.873 5.195 4.320 0.003 0.000 0.298 437 A C -1.314 176.301 177.584 0.052 0.000 1.075 437 A CA -0.658 51.464 52.037 0.141 0.000 0.714 437 A CB 2.032 21.094 19.000 0.102 0.000 1.299 437 A HN 0.772 nan 8.150 nan 0.000 0.407 438 A N 0.281 123.080 122.820 -0.036 0.000 2.337 438 A HA 0.767 5.089 4.320 0.003 0.000 0.331 438 A C -0.829 176.686 177.584 -0.115 0.000 1.137 438 A CA -0.515 51.442 52.037 -0.134 0.000 0.807 438 A CB 1.180 20.056 19.000 -0.206 0.000 1.250 438 A HN 1.408 nan 8.150 nan 0.000 0.468 439 V N 1.711 121.520 119.914 -0.175 0.000 2.487 439 V HA 0.626 4.748 4.120 0.003 0.000 0.298 439 V C 0.212 176.239 176.094 -0.112 0.000 1.028 439 V CA -0.326 61.925 62.300 -0.082 0.000 0.860 439 V CB 1.390 33.182 31.823 -0.053 0.000 0.991 439 V HN 1.102 nan 8.190 nan 0.000 0.427 440 S N 3.274 118.954 115.700 -0.033 0.000 2.578 440 S HA 0.967 5.439 4.470 0.003 0.000 0.301 440 S C -0.466 173.860 174.600 -0.456 0.000 1.091 440 S CA -0.267 57.867 58.200 -0.110 0.000 1.032 440 S CB 2.194 65.526 63.200 0.219 0.000 1.064 440 S HN 1.624 nan 8.310 nan 0.000 0.508 441 A N 1.714 124.085 122.820 -0.749 0.000 2.488 441 A HA 0.749 5.071 4.320 0.003 0.000 0.298 441 A C -1.703 175.353 177.584 -0.881 0.000 1.044 441 A CA -0.705 50.897 52.037 -0.724 0.000 0.693 441 A CB 0.766 19.616 19.000 -0.249 0.000 1.272 441 A HN 0.731 nan 8.150 nan 0.000 0.402 442 F N 1.680 121.184 119.950 -0.743 0.000 2.716 442 F HA 0.543 5.071 4.527 0.002 0.000 0.354 442 F C 0.908 176.519 175.800 -0.315 0.000 1.168 442 F CA -0.996 56.697 58.000 -0.512 0.000 1.045 442 F CB 1.527 40.273 39.000 -0.422 0.000 1.311 442 F HN 0.758 nan 8.300 nan 0.000 0.477 443 G N 2.094 110.938 108.800 0.073 0.000 2.594 443 G HA2 0.335 4.297 3.960 0.003 0.000 0.243 443 G HA3 0.335 4.297 3.960 0.003 0.000 0.243 443 G C 1.231 176.223 174.900 0.153 0.000 1.229 443 G CA -0.660 44.515 45.100 0.125 0.000 0.843 443 G HN 0.853 nan 8.290 nan 0.000 0.578 444 I N -0.328 120.338 120.570 0.160 0.000 3.083 444 I HA -0.054 4.117 4.170 0.003 0.000 0.273 444 I C 2.003 178.182 176.117 0.104 0.000 1.297 444 I CA 1.363 62.756 61.300 0.154 0.000 1.452 444 I CB -0.149 37.944 38.000 0.155 0.000 1.078 444 I HN 0.387 nan 8.210 nan 0.000 0.484 445 S N 0.628 116.375 115.700 0.078 0.000 2.593 445 S HA 0.332 4.804 4.470 0.003 0.000 0.217 445 S C 1.665 176.293 174.600 0.047 0.000 0.966 445 S CA 0.326 58.557 58.200 0.052 0.000 0.914 445 S CB -0.063 63.158 63.200 0.035 0.000 0.776 445 S HN 0.802 nan 8.310 nan 0.000 0.523 446 G N 0.328 109.165 108.800 0.060 0.000 2.176 446 G HA2 -0.228 3.733 3.960 0.003 0.000 0.253 446 G HA3 -0.228 3.733 3.960 0.003 0.000 0.253 446 G C 0.146 175.072 174.900 0.042 0.000 0.979 446 G CA 0.263 45.391 45.100 0.046 0.000 0.641 446 G HN 0.612 nan 8.290 nan 0.000 0.530 447 T N 2.344 116.929 114.554 0.051 0.000 2.794 447 T HA 0.498 4.850 4.350 0.003 0.000 0.296 447 T C 0.205 174.957 174.700 0.087 0.000 0.949 447 T CA -0.220 61.909 62.100 0.048 0.000 1.101 447 T CB 0.707 69.595 68.868 0.032 0.000 0.905 447 T HN 0.355 nan 8.240 nan 0.000 0.516 448 N N 1.611 120.376 118.700 0.107 0.000 2.404 448 N HA 0.741 5.482 4.740 0.003 0.000 0.297 448 N C -0.978 174.630 175.510 0.163 0.000 1.163 448 N CA -0.715 52.479 53.050 0.241 0.000 0.864 448 N CB 2.057 40.698 38.487 0.256 0.000 1.247 448 N HN 0.673 nan 8.380 nan 0.000 0.510 449 A N 0.635 123.572 122.820 0.195 0.000 2.408 449 A HA 0.498 4.820 4.320 0.003 0.000 0.295 449 A C -1.710 175.973 177.584 0.165 0.000 1.040 449 A CA -0.457 51.632 52.037 0.085 0.000 0.707 449 A CB 0.886 19.882 19.000 -0.007 0.000 1.235 449 A HN 0.788 nan 8.150 nan 0.000 0.418 450 H N 0.490 119.597 119.070 0.061 0.000 2.689 450 H HA 0.662 5.220 4.556 0.003 0.000 0.346 450 H C -1.523 173.860 175.328 0.091 0.000 1.037 450 H CA -0.310 55.794 56.048 0.092 0.000 1.234 450 H CB 1.782 31.641 29.762 0.160 0.000 1.572 450 H HN 0.803 nan 8.280 nan 0.000 0.524 451 V N 7.035 126.815 119.914 -0.224 0.000 2.709 451 V HA 0.505 4.626 4.120 0.003 0.000 0.308 451 V C -1.127 174.870 176.094 -0.162 0.000 1.062 451 V CA -0.654 61.588 62.300 -0.097 0.000 0.901 451 V CB 1.495 33.299 31.823 -0.032 0.000 1.003 451 V HN 0.758 nan 8.190 nan 0.000 0.425 452 I N 6.887 127.429 120.570 -0.046 0.000 2.339 452 I HA 0.516 4.688 4.170 0.003 0.000 0.290 452 I C -0.583 175.548 176.117 0.023 0.000 0.994 452 I CA -0.829 60.469 61.300 -0.003 0.000 1.191 452 I CB 1.704 39.741 38.000 0.061 0.000 1.343 452 I HN 0.271 nan 8.210 nan 0.000 0.458 453 V N 5.773 125.711 119.914 0.040 0.000 2.513 453 V HA 0.401 4.523 4.120 0.003 0.000 0.299 453 V C -0.121 176.017 176.094 0.074 0.000 1.035 453 V CA -0.551 61.779 62.300 0.049 0.000 0.889 453 V CB 2.074 33.934 31.823 0.062 0.000 0.988 453 V HN 0.764 nan 8.190 nan 0.000 0.440 454 E N 2.629 122.853 120.200 0.041 0.000 2.256 454 E HA 0.417 4.769 4.350 0.003 0.000 0.267 454 E C -0.326 176.255 176.600 -0.031 0.000 0.892 454 E CA -0.732 55.683 56.400 0.024 0.000 0.775 454 E CB 1.829 31.540 29.700 0.019 0.000 1.207 454 E HN 0.898 nan 8.360 nan 0.000 0.420 455 E N 1.760 121.905 120.200 -0.092 0.000 2.458 455 E HA 0.169 4.520 4.350 0.003 0.000 0.264 455 E C -0.378 176.166 176.600 -0.093 0.000 1.097 455 E CA -0.338 55.976 56.400 -0.144 0.000 0.973 455 E CB 0.547 30.118 29.700 -0.215 0.000 0.963 455 E HN 0.468 nan 8.360 nan 0.000 0.451 456 A N 3.258 126.021 122.820 -0.095 0.000 2.507 456 A HA 0.239 4.561 4.320 0.003 0.000 0.235 456 A C -2.033 175.513 177.584 -0.062 0.000 1.070 456 A CA -0.939 51.058 52.037 -0.067 0.000 0.768 456 A CB -0.457 18.502 19.000 -0.067 0.000 1.011 456 A HN 0.594 nan 8.150 nan 0.000 0.502 457 P HA 0.215 nan 4.420 nan 0.000 0.274 457 P C 0.031 177.307 177.300 -0.041 0.000 1.246 457 P CA -0.508 62.569 63.100 -0.039 0.000 0.795 457 P CB 0.316 32.000 31.700 -0.026 0.000 1.006 468 D N -1.136 119.133 120.400 -0.218 0.000 2.380 468 D HA 0.466 5.108 4.640 0.003 0.000 0.254 468 D C 1.261 177.187 176.300 -0.623 0.000 1.288 468 D CA 1.216 55.037 54.000 -0.299 0.000 1.008 468 D CB 0.462 41.205 40.800 -0.096 0.000 1.099 468 D HN 0.697 nan 8.370 nan 0.000 0.537 469 G N -1.617 107.004 108.800 -0.299 0.000 2.613 469 G HA2 0.007 3.969 3.960 0.003 0.000 0.208 469 G HA3 0.007 3.969 3.960 0.003 0.000 0.208 469 G C -0.434 174.416 174.900 -0.084 0.000 1.318 469 G CA -0.358 44.630 45.100 -0.187 0.000 0.559 469 G HN 0.348 nan 8.290 nan 0.000 1.015 470 R N 0.835 121.290 120.500 -0.075 0.000 2.570 470 R HA -0.147 4.195 4.340 0.003 0.000 0.262 470 R C -2.552 173.736 176.300 -0.020 0.000 0.926 470 R CA 0.241 56.317 56.100 -0.040 0.000 0.998 470 R CB -1.056 29.219 30.300 -0.042 0.000 0.857 470 R HN 0.215 nan 8.270 nan 0.000 0.413 471 P HA 0.086 nan 4.420 nan 0.000 0.271 471 P C -0.734 176.570 177.300 0.008 0.000 1.216 471 P CA -0.106 62.995 63.100 0.002 0.000 0.776 471 P CB 0.720 32.428 31.700 0.012 0.000 0.881 472 V N 5.270 125.175 119.914 -0.016 0.000 2.443 472 V HA 0.355 4.477 4.120 0.003 0.000 0.293 472 V C -2.203 173.841 176.094 -0.084 0.000 1.021 472 V CA -1.933 60.349 62.300 -0.030 0.000 0.848 472 V CB 1.815 33.617 31.823 -0.035 0.000 0.998 472 V HN 0.542 nan 8.190 nan 0.000 0.424 473 P HA 0.369 nan 4.420 nan 0.000 0.287 473 P C -1.007 176.080 177.300 -0.356 0.000 1.281 473 P CA -0.194 62.718 63.100 -0.314 0.000 0.781 473 P CB 1.186 32.575 31.700 -0.518 0.000 0.903 474 L N 4.071 125.099 121.223 -0.325 0.000 2.337 474 L HA 0.364 4.705 4.340 0.003 0.000 0.269 474 L C 0.376 177.073 176.870 -0.288 0.000 1.018 474 L CA -1.038 53.648 54.840 -0.257 0.000 0.876 474 L CB 1.820 43.787 42.059 -0.154 0.000 1.236 474 L HN 0.147 nan 8.230 nan 0.000 0.436 475 V N 5.424 125.126 119.914 -0.354 0.000 2.461 475 V HA 0.460 4.582 4.120 0.003 0.000 0.275 475 V C 0.066 176.115 176.094 -0.076 0.000 1.047 475 V CA -0.296 61.872 62.300 -0.220 0.000 0.955 475 V CB 1.823 33.503 31.823 -0.239 0.000 0.988 475 V HN 0.452 nan 8.190 nan 0.000 0.471 476 V N 4.381 124.283 119.914 -0.020 0.000 2.715 476 V HA 1.014 5.135 4.120 0.003 0.000 0.310 476 V C -0.281 175.855 176.094 0.070 0.000 1.054 476 V CA -0.072 62.238 62.300 0.017 0.000 0.928 476 V CB 1.586 33.404 31.823 -0.007 0.000 1.007 476 V HN 1.123 nan 8.190 nan 0.000 0.437 477 S N 1.786 117.551 115.700 0.109 0.000 2.579 477 S HA 1.017 5.488 4.470 0.003 0.000 0.272 477 S C -0.559 174.196 174.600 0.258 0.000 1.141 477 S CA -0.135 58.169 58.200 0.174 0.000 0.843 477 S CB 1.821 65.131 63.200 0.183 0.000 1.122 477 S HN 2.451 nan 8.310 nan 0.000 0.468 478 A N 1.062 124.055 122.820 0.287 0.000 2.557 478 A HA 0.768 5.090 4.320 0.003 0.000 0.292 478 A C 0.286 177.989 177.584 0.199 0.000 1.139 478 A CA -0.892 51.331 52.037 0.310 0.000 0.665 478 A CB 0.742 19.785 19.000 0.071 0.000 1.285 478 A HN 0.675 nan 8.150 nan 0.000 0.433 479 R N 0.080 120.617 120.500 0.062 0.000 2.200 479 R HA 0.093 4.435 4.340 0.003 0.000 0.208 479 R C 0.568 176.773 176.300 -0.158 0.000 1.033 479 R CA 1.455 57.500 56.100 -0.091 0.000 1.000 479 R CB -0.211 29.885 30.300 -0.340 0.000 0.906 479 R HN 0.828 nan 8.270 nan 0.000 0.462 480 S N -1.511 114.026 115.700 -0.272 0.000 2.667 480 S HA 0.192 4.664 4.470 0.003 0.000 0.292 480 S C 0.819 175.060 174.600 -0.598 0.000 1.126 480 S CA -0.469 57.400 58.200 -0.553 0.000 0.881 480 S CB 1.984 65.042 63.200 -0.236 0.000 1.132 480 S HN 0.023 nan 8.310 nan 0.000 0.492 481 T N -0.085 114.139 114.554 -0.549 0.000 2.867 481 T HA -0.028 4.323 4.350 0.003 0.000 0.268 481 T C 1.915 176.541 174.700 -0.124 0.000 1.057 481 T CA 1.664 63.636 62.100 -0.212 0.000 1.136 481 T CB -1.016 67.835 68.868 -0.028 0.000 0.874 481 T HN 0.865 nan 8.240 nan 0.000 0.466 482 A N 1.165 123.912 122.820 -0.121 0.000 1.902 482 A HA 0.275 4.597 4.320 0.003 0.000 0.217 482 A C 2.759 180.279 177.584 -0.107 0.000 1.181 482 A CA 1.967 53.953 52.037 -0.086 0.000 0.623 482 A CB -1.338 17.623 19.000 -0.065 0.000 0.818 482 A HN 0.762 nan 8.150 nan 0.000 0.443 483 A N -0.883 121.856 122.820 -0.136 0.000 2.014 483 A HA 0.113 4.435 4.320 0.003 0.000 0.218 483 A C 2.147 179.615 177.584 -0.193 0.000 1.163 483 A CA 1.219 53.144 52.037 -0.187 0.000 0.652 483 A CB -0.431 18.473 19.000 -0.160 0.000 0.808 483 A HN 0.510 nan 8.150 nan 0.000 0.449 484 L N -0.896 120.253 121.223 -0.124 0.000 2.044 484 L HA -0.127 4.215 4.340 0.003 0.000 0.205 484 L C 2.786 179.613 176.870 -0.072 0.000 1.075 484 L CA 1.049 55.846 54.840 -0.070 0.000 0.747 484 L CB -0.290 41.771 42.059 0.003 0.000 0.903 484 L HN 0.352 nan 8.230 nan 0.000 0.435 485 R N -0.355 120.106 120.500 -0.065 0.000 2.103 485 R HA -0.231 4.111 4.340 0.003 0.000 0.242 485 R C 2.257 178.511 176.300 -0.076 0.000 1.142 485 R CA 1.569 57.634 56.100 -0.057 0.000 0.960 485 R CB -0.604 29.667 30.300 -0.048 0.000 0.858 485 R HN 0.466 nan 8.270 nan 0.000 0.439 486 A N 0.800 123.556 122.820 -0.106 0.000 1.877 486 A HA -0.251 4.071 4.320 0.003 0.000 0.216 486 A C 2.128 179.629 177.584 -0.139 0.000 1.186 486 A CA 1.566 53.529 52.037 -0.123 0.000 0.620 486 A CB -0.470 18.439 19.000 -0.152 0.000 0.822 486 A HN 0.267 nan 8.150 nan 0.000 0.443 487 Q N -0.013 119.682 119.800 -0.175 0.000 2.124 487 Q HA -0.029 4.313 4.340 0.003 0.000 0.202 487 Q C 1.980 177.926 176.000 -0.090 0.000 0.977 487 Q CA 2.179 57.888 55.803 -0.158 0.000 0.850 487 Q CB -0.602 28.032 28.738 -0.173 0.000 0.901 487 Q HN 0.543 nan 8.270 nan 0.000 0.429 488 A N 0.400 123.176 122.820 -0.072 0.000 1.877 488 A HA -0.038 4.284 4.320 0.003 0.000 0.216 488 A C 2.333 179.888 177.584 -0.048 0.000 1.186 488 A CA 1.892 53.899 52.037 -0.051 0.000 0.620 488 A CB -1.281 17.694 19.000 -0.042 0.000 0.822 488 A HN 0.549 nan 8.150 nan 0.000 0.443 489 A N 0.337 123.125 122.820 -0.054 0.000 1.908 489 A HA -0.240 4.082 4.320 0.003 0.000 0.218 489 A C 2.193 179.752 177.584 -0.041 0.000 1.181 489 A CA 1.915 53.925 52.037 -0.045 0.000 0.627 489 A CB -0.683 18.288 19.000 -0.048 0.000 0.818 489 A HN 0.808 nan 8.150 nan 0.000 0.445 490 Q N -1.045 118.724 119.800 -0.050 0.000 2.269 490 Q HA 0.051 4.393 4.340 0.003 0.000 0.201 490 Q C 1.634 177.622 176.000 -0.020 0.000 0.946 490 Q CA 0.937 56.718 55.803 -0.037 0.000 0.877 490 Q CB -0.246 28.462 28.738 -0.050 0.000 0.963 490 Q HN 0.487 nan 8.270 nan 0.000 0.472 491 I N 1.676 122.231 120.570 -0.025 0.000 2.439 491 I HA -0.099 4.073 4.170 0.003 0.000 0.251 491 I C 2.412 178.518 176.117 -0.018 0.000 1.139 491 I CA 1.125 62.417 61.300 -0.013 0.000 1.438 491 I CB -1.388 36.600 38.000 -0.021 0.000 1.085 491 I HN 0.321 nan 8.210 nan 0.000 0.427 492 A N 0.859 123.664 122.820 -0.025 0.000 1.902 492 A HA -0.174 4.148 4.320 0.003 0.000 0.217 492 A C 2.199 179.772 177.584 -0.019 0.000 1.181 492 A CA 1.312 53.333 52.037 -0.026 0.000 0.623 492 A CB -0.438 18.546 19.000 -0.027 0.000 0.818 492 A HN 0.365 nan 8.150 nan 0.000 0.443 493 E N -0.508 119.684 120.200 -0.013 0.000 2.085 493 E HA -0.202 4.150 4.350 0.003 0.000 0.194 493 E C 1.975 178.580 176.600 0.007 0.000 0.994 493 E CA 1.232 57.630 56.400 -0.004 0.000 0.801 493 E CB -0.452 29.247 29.700 -0.001 0.000 0.743 493 E HN 0.523 nan 8.360 nan 0.000 0.453 494 L N 0.686 121.919 121.223 0.016 0.000 2.046 494 L HA -0.163 4.179 4.340 0.003 0.000 0.208 494 L C 2.088 178.963 176.870 0.008 0.000 1.077 494 L CA 1.118 55.985 54.840 0.044 0.000 0.747 494 L CB -0.266 41.841 42.059 0.080 0.000 0.896 494 L HN 0.079 nan 8.230 nan 0.000 0.432 495 L N -0.775 120.435 121.223 -0.022 0.000 2.551 495 L HA -0.088 4.254 4.340 0.003 0.000 0.228 495 L C 2.155 178.999 176.870 -0.044 0.000 1.153 495 L CA 1.146 55.954 54.840 -0.053 0.000 0.851 495 L CB -0.976 41.049 42.059 -0.056 0.000 0.959 495 L HN 0.339 nan 8.230 nan 0.000 0.451 496 E N -0.867 119.319 120.200 -0.024 0.000 2.140 496 E HA 0.068 4.420 4.350 0.003 0.000 0.191 496 E C 0.588 177.178 176.600 -0.016 0.000 0.973 496 E CA -0.055 56.333 56.400 -0.021 0.000 0.829 496 E CB 0.137 29.828 29.700 -0.013 0.000 0.781 496 E HN 0.207 nan 8.360 nan 0.000 0.466 497 R N 2.678 123.177 120.500 -0.002 0.000 2.504 497 R HA -0.057 4.284 4.340 0.003 0.000 0.302 497 R C -2.175 174.121 176.300 -0.007 0.000 0.893 497 R CA -0.441 55.665 56.100 0.010 0.000 1.138 497 R CB -0.552 29.773 30.300 0.043 0.000 0.880 497 R HN 0.151 nan 8.270 nan 0.000 0.415 498 P HA -0.172 nan 4.420 nan 0.000 0.266 498 P C 0.281 177.572 177.300 -0.014 0.000 1.195 498 P CA 0.391 63.482 63.100 -0.015 0.000 0.768 498 P CB 0.830 32.526 31.700 -0.007 0.000 0.838 499 D N 1.584 121.962 120.400 -0.037 0.000 3.434 499 D HA -0.269 4.373 4.640 0.003 0.000 0.229 499 D C 1.069 177.298 176.300 -0.119 0.000 0.796 499 D CA 1.844 55.816 54.000 -0.046 0.000 2.080 499 D CB -1.535 39.274 40.800 0.014 0.000 1.232 499 D HN 0.468 nan 8.370 nan 0.000 0.579 500 A N 1.064 123.791 122.820 -0.154 0.000 5.078 500 A HA -0.245 4.077 4.320 0.003 0.000 0.342 500 A C 0.313 177.578 177.584 -0.531 0.000 1.749 500 A CA 3.682 55.539 52.037 -0.300 0.000 0.700 500 A CB -1.754 17.134 19.000 -0.186 0.000 1.446 500 A HN 1.775 nan 8.150 nan 0.000 0.395 501 D N -3.897 116.296 120.400 -0.344 0.000 3.716 501 D HA -0.012 4.630 4.640 0.003 0.000 0.220 501 D C 0.011 176.151 176.300 -0.268 0.000 1.213 501 D CA 0.862 54.679 54.000 -0.306 0.000 0.781 501 D CB -1.225 39.364 40.800 -0.351 0.000 0.506 501 D HN 1.334 nan 8.370 nan 0.000 0.222 502 L N 4.018 125.157 121.223 -0.141 0.000 1.994 502 L HA 0.089 4.430 4.340 0.003 0.000 0.208 502 L C 2.605 179.430 176.870 -0.075 0.000 1.071 502 L CA 2.958 57.739 54.840 -0.098 0.000 0.745 502 L CB -0.938 41.091 42.059 -0.049 0.000 0.892 502 L HN 0.600 nan 8.230 nan 0.000 0.431 503 A N -1.075 121.724 122.820 -0.036 0.000 1.929 503 A HA 0.005 4.326 4.320 0.003 0.000 0.216 503 A C 2.329 179.915 177.584 0.003 0.000 1.176 503 A CA 1.300 53.334 52.037 -0.005 0.000 0.628 503 A CB -1.415 17.600 19.000 0.024 0.000 0.816 503 A HN 0.507 nan 8.150 nan 0.000 0.444 504 G N -0.166 108.628 108.800 -0.010 0.000 2.491 504 G HA2 -0.206 3.756 3.960 0.003 0.000 0.218 504 G HA3 -0.206 3.756 3.960 0.003 0.000 0.218 504 G C 1.536 176.478 174.900 0.070 0.000 1.180 504 G CA 1.497 46.622 45.100 0.041 0.000 0.774 504 G HN 0.319 nan 8.290 nan 0.000 0.562 505 V N 1.641 121.543 119.914 -0.020 0.000 2.295 505 V HA -0.063 4.059 4.120 0.003 0.000 0.246 505 V C 3.201 179.301 176.094 0.010 0.000 1.049 505 V CA 2.016 64.331 62.300 0.025 0.000 1.024 505 V CB -1.246 30.541 31.823 -0.061 0.000 0.648 505 V HN 0.465 nan 8.190 nan 0.000 0.447 506 G N 0.231 109.013 108.800 -0.030 0.000 2.529 506 G HA2 -0.324 3.638 3.960 0.003 0.000 0.219 506 G HA3 -0.324 3.638 3.960 0.003 0.000 0.219 506 G C 1.578 176.474 174.900 -0.007 0.000 1.177 506 G CA 1.484 46.557 45.100 -0.045 0.000 0.773 506 G HN 0.442 nan 8.290 nan 0.000 0.573 507 L N 1.555 122.797 121.223 0.031 0.000 2.141 507 L HA 0.199 4.541 4.340 0.003 0.000 0.209 507 L C 2.635 179.543 176.870 0.063 0.000 1.094 507 L CA 2.237 57.111 54.840 0.057 0.000 0.763 507 L CB -0.888 41.211 42.059 0.066 0.000 0.908 507 L HN 0.166 nan 8.230 nan 0.000 0.437 508 G N -1.208 107.634 108.800 0.070 0.000 2.539 508 G HA2 -0.071 3.891 3.960 0.003 0.000 0.215 508 G HA3 -0.071 3.891 3.960 0.003 0.000 0.215 508 G C 1.548 176.480 174.900 0.054 0.000 1.141 508 G CA 0.373 45.517 45.100 0.073 0.000 0.806 508 G HN 0.391 nan 8.290 nan 0.000 0.533 509 L N 0.439 121.682 121.223 0.032 0.000 2.217 509 L HA 0.067 4.408 4.340 0.003 0.000 0.211 509 L C 3.095 179.973 176.870 0.013 0.000 1.107 509 L CA 0.881 55.729 54.840 0.013 0.000 0.783 509 L CB -0.050 41.992 42.059 -0.029 0.000 0.919 509 L HN 0.325 nan 8.230 nan 0.000 0.442 510 A N -0.739 122.093 122.820 0.020 0.000 1.997 510 A HA -0.049 4.273 4.320 0.003 0.000 0.212 510 A C 2.015 179.667 177.584 0.114 0.000 1.178 510 A CA 1.271 53.346 52.037 0.062 0.000 0.698 510 A CB -0.268 18.780 19.000 0.080 0.000 0.842 510 A HN 0.400 nan 8.150 nan 0.000 0.458 511 T N -5.733 108.873 114.554 0.087 0.000 3.129 511 T HA 0.275 4.627 4.350 0.003 0.000 0.267 511 T C 0.719 175.456 174.700 0.061 0.000 1.018 511 T CA 0.877 63.026 62.100 0.083 0.000 0.903 511 T CB 0.516 69.431 68.868 0.078 0.000 1.067 511 T HN 0.065 nan 8.240 nan 0.000 0.549 512 T N 0.972 115.555 114.554 0.049 0.000 3.046 512 T HA 0.326 4.678 4.350 0.003 0.000 0.270 512 T C -0.213 174.493 174.700 0.010 0.000 0.920 512 T CA -0.292 61.825 62.100 0.029 0.000 0.874 512 T CB 0.550 69.440 68.868 0.036 0.000 1.214 512 T HN 0.073 nan 8.240 nan 0.000 0.536 513 R N 1.652 122.164 120.500 0.021 0.000 2.621 513 R HA 0.774 5.116 4.340 0.003 0.000 0.292 513 R C -0.417 175.861 176.300 -0.035 0.000 0.969 513 R CA -0.956 55.159 56.100 0.026 0.000 0.887 513 R CB 0.926 31.269 30.300 0.071 0.000 1.180 513 R HN 0.240 nan 8.270 nan 0.000 0.450 514 A N 3.481 126.224 122.820 -0.128 0.000 2.587 514 A HA 0.059 4.381 4.320 0.003 0.000 0.233 514 A C -0.028 177.334 177.584 -0.369 0.000 1.049 514 A CA 0.189 51.967 52.037 -0.431 0.000 0.754 514 A CB 0.151 18.649 19.000 -0.838 0.000 0.977 514 A HN 0.377 nan 8.150 nan 0.000 0.509 515 R N 2.575 122.928 120.500 -0.245 0.000 2.205 515 R HA 0.317 4.659 4.340 0.003 0.000 0.342 515 R C -0.295 175.936 176.300 -0.116 0.000 1.058 515 R CA 0.090 56.138 56.100 -0.087 0.000 0.904 515 R CB -0.206 30.155 30.300 0.102 0.000 1.089 515 R HN 0.893 nan 8.270 nan 0.000 0.471 516 H N 0.443 119.585 119.070 0.119 0.000 2.469 516 H HA 0.130 4.688 4.556 0.003 0.000 0.289 516 H C 0.738 176.122 175.328 0.092 0.000 1.595 516 H CA -0.513 55.603 56.048 0.113 0.000 1.536 516 H CB 0.940 30.775 29.762 0.122 0.000 1.726 516 H HN 0.339 nan 8.280 nan 0.000 0.794 517 E N -0.375 119.987 120.200 0.270 0.000 2.076 517 E HA -0.019 4.333 4.350 0.003 0.000 0.190 517 E C -0.167 176.454 176.600 0.035 0.000 0.979 517 E CA 0.790 57.261 56.400 0.118 0.000 0.807 517 E CB 0.206 29.968 29.700 0.104 0.000 0.761 517 E HN 0.394 nan 8.360 nan 0.000 0.454 518 H N 0.770 119.882 119.070 0.070 0.000 2.562 518 H HA 0.444 5.002 4.556 0.003 0.000 0.314 518 H C -0.094 175.267 175.328 0.056 0.000 1.079 518 H CA -0.192 55.884 56.048 0.047 0.000 1.349 518 H CB 0.881 30.666 29.762 0.038 0.000 1.432 518 H HN -0.083 nan 8.280 nan 0.000 0.479 519 R N 1.337 121.899 120.500 0.103 0.000 2.744 519 R HA 0.731 5.073 4.340 0.003 0.000 0.279 519 R C -1.255 175.083 176.300 0.064 0.000 0.977 519 R CA -0.802 55.346 56.100 0.080 0.000 0.906 519 R CB 2.566 32.884 30.300 0.031 0.000 1.197 519 R HN 0.684 nan 8.270 nan 0.000 0.463 520 A N 0.889 123.744 122.820 0.058 0.000 2.594 520 A HA 0.915 5.237 4.320 0.003 0.000 0.291 520 A C -1.817 175.773 177.584 0.010 0.000 1.105 520 A CA -0.539 51.517 52.037 0.032 0.000 0.694 520 A CB 2.152 21.163 19.000 0.018 0.000 1.291 520 A HN 0.745 nan 8.150 nan 0.000 0.410 521 A N -0.014 122.795 122.820 -0.018 0.000 2.547 521 A HA 0.696 5.018 4.320 0.003 0.000 0.297 521 A C -1.492 176.042 177.584 -0.083 0.000 1.056 521 A CA -0.387 51.603 52.037 -0.078 0.000 0.688 521 A CB 1.320 20.271 19.000 -0.082 0.000 1.282 521 A HN 1.661 nan 8.150 nan 0.000 0.400 522 V N 1.411 121.255 119.914 -0.118 0.000 2.656 522 V HA 0.593 4.715 4.120 0.003 0.000 0.307 522 V C -0.570 175.451 176.094 -0.121 0.000 1.051 522 V CA -0.662 61.581 62.300 -0.095 0.000 0.893 522 V CB 1.843 33.619 31.823 -0.079 0.000 0.999 522 V HN 0.720 nan 8.190 nan 0.000 0.426 523 V N 3.933 123.791 119.914 -0.093 0.000 2.326 523 V HA 0.828 4.950 4.120 0.003 0.000 0.281 523 V C 0.262 176.319 176.094 -0.061 0.000 1.015 523 V CA -0.143 62.105 62.300 -0.087 0.000 0.823 523 V CB 1.229 33.011 31.823 -0.069 0.000 1.009 523 V HN 1.052 nan 8.190 nan 0.000 0.436 524 A N 3.599 126.383 122.820 -0.059 0.000 2.413 524 A HA 0.799 5.121 4.320 0.003 0.000 0.307 524 A C 0.515 178.079 177.584 -0.034 0.000 1.087 524 A CA -0.357 51.653 52.037 -0.045 0.000 0.750 524 A CB 2.110 21.080 19.000 -0.050 0.000 1.296 524 A HN 0.586 nan 8.150 nan 0.000 0.423 525 S N -0.515 115.170 115.700 -0.025 0.000 2.524 525 S HA 0.163 4.635 4.470 0.003 0.000 0.222 525 S C 0.791 175.385 174.600 -0.010 0.000 1.040 525 S CA 0.822 59.012 58.200 -0.016 0.000 0.915 525 S CB 0.243 63.435 63.200 -0.013 0.000 0.831 525 S HN 1.179 nan 8.310 nan 0.000 0.492 526 T N -1.028 113.517 114.554 -0.015 0.000 2.924 526 T HA 0.523 4.875 4.350 0.003 0.000 0.291 526 T C 0.646 175.331 174.700 -0.026 0.000 1.045 526 T CA -0.807 61.285 62.100 -0.013 0.000 1.015 526 T CB 1.828 70.690 68.868 -0.011 0.000 1.103 526 T HN -0.103 nan 8.240 nan 0.000 0.496 527 R N 0.574 121.057 120.500 -0.030 0.000 2.133 527 R HA -0.175 4.167 4.340 0.003 0.000 0.245 527 R C 2.253 178.532 176.300 -0.035 0.000 1.137 527 R CA 2.558 58.633 56.100 -0.040 0.000 0.947 527 R CB -0.376 29.897 30.300 -0.046 0.000 0.865 527 R HN 0.812 nan 8.270 nan 0.000 0.437 528 E N -0.024 120.160 120.200 -0.028 0.000 2.077 528 E HA -0.241 4.110 4.350 0.003 0.000 0.193 528 E C 1.969 178.553 176.600 -0.027 0.000 0.989 528 E CA 1.670 58.055 56.400 -0.025 0.000 0.800 528 E CB -0.096 29.592 29.700 -0.020 0.000 0.746 528 E HN 0.597 nan 8.360 nan 0.000 0.452 529 E N 1.111 121.295 120.200 -0.027 0.000 2.208 529 E HA -0.080 4.272 4.350 0.003 0.000 0.193 529 E C 2.052 178.631 176.600 -0.035 0.000 0.988 529 E CA 0.893 57.276 56.400 -0.029 0.000 0.828 529 E CB -0.108 29.576 29.700 -0.027 0.000 0.763 529 E HN 0.168 nan 8.360 nan 0.000 0.478 530 A N 1.624 124.420 122.820 -0.040 0.000 1.858 530 A HA -0.102 4.220 4.320 0.003 0.000 0.216 530 A C 2.530 180.088 177.584 -0.044 0.000 1.190 530 A CA 1.493 53.502 52.037 -0.047 0.000 0.617 530 A CB -0.937 18.031 19.000 -0.054 0.000 0.827 530 A HN 0.185 nan 8.150 nan 0.000 0.443 531 V N 0.053 119.943 119.914 -0.039 0.000 2.252 531 V HA -0.332 3.789 4.120 0.003 0.000 0.249 531 V C 2.630 178.706 176.094 -0.031 0.000 1.056 531 V CA 2.436 64.715 62.300 -0.034 0.000 1.022 531 V CB -0.838 30.966 31.823 -0.031 0.000 0.641 531 V HN 0.549 nan 8.190 nan 0.000 0.445 532 R N -0.317 120.166 120.500 -0.029 0.000 2.140 532 R HA -0.217 4.125 4.340 0.003 0.000 0.250 532 R C 2.331 178.614 176.300 -0.028 0.000 1.150 532 R CA 1.825 57.909 56.100 -0.027 0.000 0.966 532 R CB -0.790 29.495 30.300 -0.025 0.000 0.869 532 R HN 0.645 nan 8.270 nan 0.000 0.445 533 G N 0.208 108.988 108.800 -0.033 0.000 2.395 533 G HA2 -0.165 3.797 3.960 0.003 0.000 0.214 533 G HA3 -0.165 3.797 3.960 0.003 0.000 0.214 533 G C 1.427 176.306 174.900 -0.034 0.000 1.177 533 G CA 0.181 45.260 45.100 -0.035 0.000 0.794 533 G HN 0.127 nan 8.290 nan 0.000 0.532 534 L N 0.057 121.258 121.223 -0.037 0.000 1.994 534 L HA -0.056 4.286 4.340 0.003 0.000 0.208 534 L C 3.067 179.919 176.870 -0.031 0.000 1.071 534 L CA 0.897 55.716 54.840 -0.036 0.000 0.745 534 L CB -0.392 41.644 42.059 -0.039 0.000 0.892 534 L HN 0.006 nan 8.230 nan 0.000 0.431 535 R N 0.143 120.625 120.500 -0.029 0.000 2.185 535 R HA -0.225 4.116 4.340 0.003 0.000 0.247 535 R C 2.031 178.317 176.300 -0.023 0.000 1.159 535 R CA 1.349 57.434 56.100 -0.025 0.000 0.988 535 R CB -0.567 29.719 30.300 -0.023 0.000 0.871 535 R HN 0.542 nan 8.270 nan 0.000 0.458 536 E N -0.103 120.084 120.200 -0.023 0.000 2.086 536 E HA 0.011 4.363 4.350 0.003 0.000 0.190 536 E C 1.987 178.576 176.600 -0.017 0.000 0.975 536 E CA 0.296 56.685 56.400 -0.020 0.000 0.813 536 E CB 0.058 29.746 29.700 -0.021 0.000 0.768 536 E HN 0.200 nan 8.360 nan 0.000 0.457 537 I N 0.962 121.521 120.570 -0.019 0.000 2.335 537 I HA -0.246 3.926 4.170 0.003 0.000 0.251 537 I C 2.334 178.441 176.117 -0.017 0.000 1.129 537 I CA 1.075 62.366 61.300 -0.015 0.000 1.402 537 I CB -0.173 37.818 38.000 -0.016 0.000 1.069 537 I HN 0.129 nan 8.210 nan 0.000 0.424 538 A N 0.441 123.247 122.820 -0.023 0.000 2.067 538 A HA 0.153 4.475 4.320 0.003 0.000 0.217 538 A C 2.460 180.030 177.584 -0.023 0.000 1.156 538 A CA 1.116 53.136 52.037 -0.027 0.000 0.683 538 A CB -0.487 18.493 19.000 -0.032 0.000 0.808 538 A HN 0.384 nan 8.150 nan 0.000 0.455 539 A N -1.393 121.416 122.820 -0.019 0.000 2.066 539 A HA 0.357 4.679 4.320 0.003 0.000 0.218 539 A C 1.881 179.457 177.584 -0.013 0.000 1.157 539 A CA 1.430 53.457 52.037 -0.016 0.000 0.670 539 A CB -0.813 18.179 19.000 -0.015 0.000 0.804 539 A HN 1.820 nan 8.150 nan 0.000 0.453 540 G N -2.910 105.883 108.800 -0.011 0.000 2.132 540 G HA2 0.291 4.253 3.960 0.003 0.000 0.234 540 G HA3 0.291 4.253 3.960 0.003 0.000 0.234 540 G C 0.156 175.055 174.900 -0.003 0.000 0.989 540 G CA 0.469 45.565 45.100 -0.006 0.000 0.676 540 G HN 2.009 nan 8.290 nan 0.000 0.522 541 A N -1.370 121.448 122.820 -0.004 0.000 2.590 541 A HA 1.112 5.434 4.320 0.003 0.000 0.294 541 A C 0.324 177.904 177.584 -0.006 0.000 1.046 541 A CA 1.311 53.346 52.037 -0.003 0.000 0.684 541 A CB 0.585 19.583 19.000 -0.004 0.000 1.279 541 A HN 2.757 nan 8.150 nan 0.000 0.415 542 A N -0.427 122.390 122.820 -0.005 0.000 2.435 542 A HA 0.416 4.738 4.320 0.003 0.000 0.686 542 A C -0.061 177.517 177.584 -0.010 0.000 0.138 542 A CA 0.443 52.475 52.037 -0.008 0.000 0.024 542 A CB -1.723 17.271 19.000 -0.010 0.000 3.974 542 A HN 2.438 nan 8.150 nan 0.000 0.548 543 T N 0.768 115.315 114.554 -0.012 0.000 2.829 543 T HA 0.756 5.108 4.350 0.003 0.000 0.280 543 T C 0.319 175.007 174.700 -0.020 0.000 0.999 543 T CA 0.618 62.709 62.100 -0.016 0.000 0.983 543 T CB 1.022 69.881 68.868 -0.015 0.000 0.968 543 T HN 2.205 nan 8.240 nan 0.000 0.446 544 A N 2.789 125.594 122.820 -0.024 0.000 2.269 544 A HA 0.509 4.831 4.320 0.003 0.000 0.319 544 A C 1.107 178.671 177.584 -0.034 0.000 1.110 544 A CA -0.509 51.511 52.037 -0.028 0.000 0.847 544 A CB 0.439 19.422 19.000 -0.029 0.000 1.161 544 A HN 0.851 nan 8.150 nan 0.000 0.497 545 D N 0.943 121.318 120.400 -0.041 0.000 2.265 545 D HA -0.120 4.522 4.640 0.003 0.000 0.208 545 D C 1.823 178.091 176.300 -0.052 0.000 0.977 545 D CA 1.746 55.714 54.000 -0.054 0.000 0.871 545 D CB -0.059 40.701 40.800 -0.068 0.000 0.925 545 D HN 0.605 nan 8.370 nan 0.000 0.485 546 A N 0.152 122.945 122.820 -0.046 0.000 2.169 546 A HA 0.122 4.444 4.320 0.003 0.000 0.212 546 A C 0.932 178.489 177.584 -0.045 0.000 1.153 546 A CA 0.192 52.201 52.037 -0.047 0.000 0.756 546 A CB 0.439 19.412 19.000 -0.045 0.000 0.813 546 A HN 0.035 nan 8.150 nan 0.000 0.471 547 V N 0.737 120.629 119.914 -0.037 0.000 2.555 547 V HA 0.559 4.681 4.120 0.003 0.000 0.302 547 V C -0.598 175.486 176.094 -0.018 0.000 1.038 547 V CA -0.561 61.721 62.300 -0.030 0.000 0.887 547 V CB 1.572 33.379 31.823 -0.027 0.000 0.991 547 V HN 0.355 nan 8.190 nan 0.000 0.434 548 V N 1.360 121.269 119.914 -0.008 0.000 2.888 548 V HA 0.737 4.859 4.120 0.003 0.000 0.309 548 V C -0.845 175.260 176.094 0.018 0.000 1.114 548 V CA -0.715 61.590 62.300 0.009 0.000 0.940 548 V CB 2.085 33.923 31.823 0.024 0.000 1.021 548 V HN 0.849 nan 8.190 nan 0.000 0.426 549 E N 1.222 121.434 120.200 0.020 0.000 2.336 549 E HA 0.862 5.214 4.350 0.003 0.000 0.267 549 E C -0.308 176.304 176.600 0.020 0.000 0.906 549 E CA -0.728 55.687 56.400 0.024 0.000 0.781 549 E CB 2.780 32.494 29.700 0.024 0.000 1.261 549 E HN 1.225 nan 8.360 nan 0.000 0.436 550 G N -0.296 108.511 108.800 0.012 0.000 2.576 550 G HA2 0.487 4.449 3.960 0.003 0.000 0.290 550 G HA3 0.487 4.449 3.960 0.003 0.000 0.290 550 G C -1.667 173.198 174.900 -0.058 0.000 1.442 550 G CA -0.464 44.628 45.100 -0.014 0.000 0.792 550 G HN 0.263 nan 8.290 nan 0.000 0.491 551 V N 0.015 119.869 119.914 -0.101 0.000 2.577 551 V HA 0.825 4.947 4.120 0.003 0.000 0.303 551 V C -0.227 175.789 176.094 -0.131 0.000 1.042 551 V CA -0.569 61.608 62.300 -0.206 0.000 0.872 551 V CB 1.686 33.329 31.823 -0.299 0.000 0.998 551 V HN 1.021 nan 8.190 nan 0.000 0.423 552 T N 2.373 116.854 114.554 -0.121 0.000 2.933 552 T HA 0.460 4.812 4.350 0.003 0.000 0.305 552 T C -0.130 174.539 174.700 -0.051 0.000 1.092 552 T CA -0.341 61.719 62.100 -0.067 0.000 1.008 552 T CB 2.097 70.935 68.868 -0.051 0.000 1.102 552 T HN 0.796 nan 8.240 nan 0.000 0.469 553 E N 2.282 122.462 120.200 -0.032 0.000 2.499 553 E HA 0.185 4.537 4.350 0.003 0.000 0.199 553 E C 1.353 177.951 176.600 -0.004 0.000 1.016 553 E CA -0.035 56.355 56.400 -0.016 0.000 0.933 553 E CB 0.504 30.194 29.700 -0.017 0.000 1.050 553 E HN 0.520 nan 8.360 nan 0.000 0.462 554 V N -3.382 116.530 119.914 -0.003 0.000 3.090 554 V HA 0.141 4.262 4.120 0.003 0.000 0.237 554 V C 0.902 177.005 176.094 0.015 0.000 1.209 554 V CA 0.299 62.601 62.300 0.002 0.000 1.209 554 V CB 0.373 32.194 31.823 -0.004 0.000 0.971 554 V HN 0.103 nan 8.190 nan 0.000 0.477 555 D N 1.346 121.757 120.400 0.019 0.000 2.945 555 D HA 0.011 4.653 4.640 0.003 0.000 0.225 555 D C 0.265 176.591 176.300 0.044 0.000 1.158 555 D CA 1.583 55.607 54.000 0.040 0.000 0.805 555 D CB -1.399 39.444 40.800 0.072 0.000 1.098 555 D HN 1.446 nan 8.370 nan 0.000 0.426 556 G N -0.772 108.044 108.800 0.027 0.000 2.405 556 G HA2 0.489 4.451 3.960 0.003 0.000 0.303 556 G HA3 0.489 4.451 3.960 0.003 0.000 0.303 556 G C -1.256 173.648 174.900 0.007 0.000 1.644 556 G CA -0.957 44.158 45.100 0.025 0.000 0.899 556 G HN 0.165 nan 8.290 nan 0.000 0.667 557 R N 0.462 120.964 120.500 0.003 0.000 2.808 557 R HA 0.481 4.822 4.340 0.003 0.000 0.272 557 R C -0.868 175.413 176.300 -0.032 0.000 0.995 557 R CA -1.042 55.049 56.100 -0.016 0.000 0.917 557 R CB 1.771 32.066 30.300 -0.009 0.000 1.217 557 R HN 0.601 nan 8.270 nan 0.000 0.471 558 N N 1.103 119.772 118.700 -0.052 0.000 2.462 558 N HA 0.161 4.903 4.740 0.003 0.000 0.242 558 N C -0.329 175.175 175.510 -0.010 0.000 1.010 558 N CA -0.229 52.798 53.050 -0.039 0.000 0.939 558 N CB 1.637 40.045 38.487 -0.132 0.000 1.127 558 N HN 0.158 nan 8.380 nan 0.000 0.509 559 V N 2.303 122.189 119.914 -0.046 0.000 2.583 559 V HA 0.209 4.330 4.120 0.003 0.000 0.287 559 V C 0.587 176.567 176.094 -0.191 0.000 1.051 559 V CA -0.549 61.673 62.300 -0.130 0.000 1.010 559 V CB 1.431 33.185 31.823 -0.115 0.000 0.988 559 V HN 0.264 nan 8.190 nan 0.000 0.478 560 V N 5.147 124.865 119.914 -0.327 0.000 2.459 560 V HA 0.460 4.582 4.120 0.003 0.000 0.295 560 V C -0.396 175.695 176.094 -0.005 0.000 1.029 560 V CA -0.527 61.596 62.300 -0.296 0.000 0.874 560 V CB 1.614 33.111 31.823 -0.542 0.000 0.985 560 V HN 0.661 nan 8.190 nan 0.000 0.438 561 F N 4.608 124.425 119.950 -0.222 0.000 2.415 561 F HA 0.609 5.138 4.527 0.003 0.000 0.348 561 F C -0.264 175.365 175.800 -0.284 0.000 1.119 561 F CA -0.761 57.059 58.000 -0.299 0.000 1.069 561 F CB 1.565 40.469 39.000 -0.159 0.000 1.124 561 F HN 0.264 nan 8.300 nan 0.000 0.472 562 L N 4.584 125.612 121.223 -0.325 0.000 2.346 562 L HA 0.432 4.774 4.340 0.003 0.000 0.276 562 L C -1.105 175.541 176.870 -0.374 0.000 1.006 562 L CA -0.363 54.398 54.840 -0.131 0.000 0.817 562 L CB 1.581 43.697 42.059 0.095 0.000 1.272 562 L HN 0.410 nan 8.230 nan 0.000 0.421 563 F N 3.976 124.023 119.950 0.161 0.000 2.443 563 F HA 0.433 4.961 4.527 0.003 0.000 0.369 563 F C -2.063 173.833 175.800 0.160 0.000 1.090 563 F CA -1.862 56.223 58.000 0.142 0.000 1.129 563 F CB 0.848 39.953 39.000 0.175 0.000 1.367 563 F HN 0.265 nan 8.300 nan 0.000 0.465 564 P HA 0.268 nan 4.420 nan 0.000 0.277 564 P C 0.299 177.679 177.300 0.132 0.000 1.276 564 P CA -0.045 63.112 63.100 0.096 0.000 0.788 564 P CB 1.123 32.797 31.700 -0.043 0.000 1.114 565 G N -0.983 107.828 108.800 0.019 0.000 2.782 565 G HA2 0.359 4.321 3.960 0.003 0.000 0.201 565 G HA3 0.359 4.321 3.960 0.003 0.000 0.201 565 G C -0.434 174.495 174.900 0.049 0.000 1.374 565 G CA -0.433 44.713 45.100 0.078 0.000 1.039 565 G HN 0.609 nan 8.290 nan 0.000 0.576 566 Q N -0.808 119.040 119.800 0.080 0.000 2.333 566 Q HA 0.390 4.732 4.340 0.003 0.000 0.299 566 Q C 0.935 176.952 176.000 0.028 0.000 1.067 566 Q CA 1.855 57.707 55.803 0.082 0.000 0.943 566 Q CB 0.577 29.392 28.738 0.129 0.000 1.233 566 Q HN 1.484 nan 8.270 nan 0.000 0.401 567 G N 1.556 110.382 108.800 0.043 0.000 2.905 567 G HA2 -0.255 3.706 3.960 0.003 0.000 0.196 567 G HA3 -0.255 3.706 3.960 0.003 0.000 0.196 567 G C 0.713 175.655 174.900 0.070 0.000 1.044 567 G CA 0.277 45.394 45.100 0.028 0.000 0.778 567 G HN 1.119 nan 8.290 nan 0.000 0.474 568 S N 0.909 116.672 115.700 0.105 0.000 2.603 568 S HA 0.290 4.762 4.470 0.003 0.000 0.220 568 S C 0.767 175.514 174.600 0.244 0.000 0.967 568 S CA 0.784 59.098 58.200 0.190 0.000 0.920 568 S CB 0.019 63.330 63.200 0.185 0.000 0.773 568 S HN 0.651 nan 8.310 nan 0.000 0.529 569 Q N 2.712 122.610 119.800 0.163 0.000 2.311 569 Q HA 0.377 4.719 4.340 0.003 0.000 0.272 569 Q C -0.324 175.821 176.000 0.243 0.000 1.012 569 Q CA -0.094 55.794 55.803 0.142 0.000 0.891 569 Q CB 0.066 28.848 28.738 0.073 0.000 1.201 569 Q HN 0.710 nan 8.270 nan 0.000 0.391 570 W N -0.461 120.845 121.300 0.009 0.000 3.138 570 W HA 0.736 5.397 4.660 0.003 0.000 0.331 570 W C -1.145 175.378 176.519 0.008 0.000 1.166 570 W CA -1.861 55.478 57.345 -0.009 0.000 1.212 570 W CB 0.669 30.114 29.460 -0.024 0.000 1.399 570 W HN 0.718 nan 8.180 nan 0.000 0.514 571 A N 2.398 125.311 122.820 0.154 0.000 2.545 571 A HA 0.443 4.765 4.320 0.003 0.000 0.253 571 A C 1.392 178.971 177.584 -0.009 0.000 1.074 571 A CA 1.891 53.948 52.037 0.033 0.000 0.760 571 A CB -0.828 18.217 19.000 0.075 0.000 1.005 571 A HN 2.121 nan 8.150 nan 0.000 0.506 572 G N 2.032 110.713 108.800 -0.199 0.000 2.232 572 G HA2 -0.320 3.642 3.960 0.003 0.000 0.226 572 G HA3 -0.320 3.642 3.960 0.003 0.000 0.226 572 G C 1.011 175.570 174.900 -0.567 0.000 0.996 572 G CA 0.738 45.712 45.100 -0.212 0.000 0.626 572 G HN 0.949 nan 8.290 nan 0.000 0.509 573 M N 0.346 119.197 119.600 -1.249 0.000 4.696 573 M HA -0.320 4.162 4.480 0.003 0.000 0.301 573 M C 2.474 178.418 176.300 -0.594 0.000 0.829 573 M CA 3.884 58.335 55.300 -1.415 0.000 0.965 573 M CB -0.845 31.250 32.600 -0.840 0.000 1.406 573 M HN 0.677 nan 8.290 nan 0.000 0.714 574 G N -1.846 106.803 108.800 -0.252 0.000 2.484 574 G HA2 0.124 4.086 3.960 0.003 0.000 0.218 574 G HA3 0.124 4.086 3.960 0.003 0.000 0.218 574 G C 1.305 176.182 174.900 -0.038 0.000 1.130 574 G CA 1.091 46.194 45.100 0.005 0.000 0.784 574 G HN 0.837 nan 8.290 nan 0.000 0.543 575 A N 1.682 124.461 122.820 -0.068 0.000 1.862 575 A HA -0.191 4.131 4.320 0.003 0.000 0.217 575 A C 2.132 179.710 177.584 -0.011 0.000 1.251 575 A CA 2.039 54.066 52.037 -0.016 0.000 0.673 575 A CB -0.707 18.281 19.000 -0.020 0.000 0.843 575 A HN 0.306 nan 8.150 nan 0.000 0.458 576 E N -0.741 119.451 120.200 -0.013 0.000 2.219 576 E HA -0.209 4.142 4.350 0.003 0.000 0.198 576 E C 1.885 178.456 176.600 -0.047 0.000 0.998 576 E CA 1.155 57.549 56.400 -0.010 0.000 0.818 576 E CB -0.417 29.291 29.700 0.014 0.000 0.741 576 E HN 0.451 nan 8.360 nan 0.000 0.477 577 L N 0.471 121.617 121.223 -0.128 0.000 2.109 577 L HA -0.102 4.240 4.340 0.003 0.000 0.207 577 L C 2.302 179.131 176.870 -0.069 0.000 1.086 577 L CA 1.070 55.750 54.840 -0.267 0.000 0.760 577 L CB -0.527 41.084 42.059 -0.747 0.000 0.910 577 L HN 0.076 nan 8.230 nan 0.000 0.437 578 L N -1.194 120.095 121.223 0.110 0.000 1.955 578 L HA -0.292 4.050 4.340 0.003 0.000 0.213 578 L C 2.746 179.676 176.870 0.100 0.000 1.072 578 L CA 1.900 56.868 54.840 0.213 0.000 0.755 578 L CB -1.011 41.145 42.059 0.161 0.000 0.888 578 L HN 0.441 nan 8.230 nan 0.000 0.432 579 S N -1.219 114.512 115.700 0.052 0.000 2.387 579 S HA -0.184 4.287 4.470 0.003 0.000 0.230 579 S C 1.547 176.161 174.600 0.023 0.000 1.035 579 S CA 1.466 59.685 58.200 0.031 0.000 1.014 579 S CB -0.320 62.891 63.200 0.019 0.000 0.836 579 S HN 0.460 nan 8.310 nan 0.000 0.466 580 S N 0.427 116.134 115.700 0.013 0.000 2.495 580 S HA 0.442 4.914 4.470 0.003 0.000 0.273 580 S C 0.208 174.821 174.600 0.022 0.000 1.156 580 S CA 0.361 58.563 58.200 0.004 0.000 1.032 580 S CB 0.525 63.712 63.200 -0.020 0.000 1.160 580 S HN 1.132 nan 8.310 nan 0.000 0.489 581 S N 2.145 117.855 115.700 0.016 0.000 4.235 581 S HA -0.061 4.411 4.470 0.003 0.000 0.191 581 S C -1.519 173.136 174.600 0.092 0.000 0.553 581 S CA 0.268 58.492 58.200 0.040 0.000 1.319 581 S CB -0.292 62.902 63.200 -0.010 0.000 1.952 581 S HN 0.580 nan 8.310 nan 0.000 0.332 582 P HA -0.066 nan 4.420 nan 0.000 0.220 582 P C 1.552 178.892 177.300 0.066 0.000 1.148 582 P CA 0.721 63.859 63.100 0.062 0.000 0.803 582 P CB -0.031 31.689 31.700 0.033 0.000 0.782 583 V N -0.171 119.787 119.914 0.073 0.000 2.287 583 V HA -0.245 3.877 4.120 0.003 0.000 0.248 583 V C 2.411 178.560 176.094 0.090 0.000 1.053 583 V CA 1.933 64.275 62.300 0.070 0.000 1.027 583 V CB -1.415 30.451 31.823 0.071 0.000 0.646 583 V HN -0.027 nan 8.190 nan 0.000 0.447 584 F N 1.401 121.327 119.950 -0.039 0.000 2.046 584 F HA -0.224 4.305 4.527 0.003 0.000 0.297 584 F C 2.329 178.109 175.800 -0.034 0.000 1.123 584 F CA 1.804 59.773 58.000 -0.052 0.000 1.199 584 F CB -0.703 38.244 39.000 -0.089 0.000 0.972 584 F HN 0.080 nan 8.300 nan 0.000 0.474 585 A N 0.102 122.982 122.820 0.100 0.000 1.978 585 A HA -0.090 4.232 4.320 0.003 0.000 0.220 585 A C 2.446 179.983 177.584 -0.077 0.000 1.170 585 A CA 1.775 53.808 52.037 -0.005 0.000 0.636 585 A CB -1.816 17.226 19.000 0.068 0.000 0.810 585 A HN 0.559 nan 8.150 nan 0.000 0.448 586 G N -0.396 108.375 108.800 -0.049 0.000 2.414 586 G HA2 -0.232 3.729 3.960 0.003 0.000 0.215 586 G HA3 -0.232 3.729 3.960 0.003 0.000 0.215 586 G C 1.634 176.486 174.900 -0.079 0.000 1.188 586 G CA 1.258 46.331 45.100 -0.045 0.000 0.783 586 G HN 0.535 nan 8.290 nan 0.000 0.537 587 K N -0.022 120.313 120.400 -0.109 0.000 2.057 587 K HA -0.008 4.314 4.320 0.003 0.000 0.207 587 K C 2.397 178.885 176.600 -0.187 0.000 1.049 587 K CA 0.715 56.924 56.287 -0.131 0.000 0.931 587 K CB -0.282 32.139 32.500 -0.133 0.000 0.714 587 K HN 0.187 nan 8.250 nan 0.000 0.440 588 I N 1.081 121.475 120.570 -0.294 0.000 2.151 588 I HA -0.292 3.880 4.170 0.003 0.000 0.243 588 I C 2.422 178.454 176.117 -0.141 0.000 1.080 588 I CA 1.582 62.720 61.300 -0.269 0.000 1.339 588 I CB -0.932 36.844 38.000 -0.373 0.000 1.039 588 I HN 0.306 nan 8.210 nan 0.000 0.409 589 R N 1.089 121.522 120.500 -0.112 0.000 2.081 589 R HA -0.129 4.213 4.340 0.003 0.000 0.235 589 R C 2.374 178.634 176.300 -0.067 0.000 1.131 589 R CA 1.701 57.758 56.100 -0.071 0.000 0.960 589 R CB -0.277 29.993 30.300 -0.050 0.000 0.856 589 R HN 0.297 nan 8.270 nan 0.000 0.436 590 A N 0.317 123.095 122.820 -0.069 0.000 1.908 590 A HA -0.201 4.121 4.320 0.003 0.000 0.218 590 A C 2.438 179.983 177.584 -0.065 0.000 1.181 590 A CA 1.693 53.695 52.037 -0.058 0.000 0.627 590 A CB -1.011 17.959 19.000 -0.049 0.000 0.818 590 A HN 0.623 nan 8.150 nan 0.000 0.445 591 C N -0.583 118.675 119.300 -0.071 0.000 2.422 591 C HA -0.072 4.390 4.460 0.003 0.000 0.279 591 C C 2.266 177.211 174.990 -0.075 0.000 1.305 591 C CA 0.992 59.980 59.018 -0.049 0.000 1.757 591 C CB -1.193 26.539 27.740 -0.013 0.000 1.962 591 C HN 0.586 nan 8.230 nan 0.000 0.499 592 D N 0.534 120.888 120.400 -0.078 0.000 2.178 592 D HA -0.079 4.563 4.640 0.003 0.000 0.202 592 D C 2.128 178.368 176.300 -0.100 0.000 0.974 592 D CA 0.990 54.937 54.000 -0.090 0.000 0.841 592 D CB -0.311 40.450 40.800 -0.065 0.000 0.953 592 D HN 0.601 nan 8.370 nan 0.000 0.478 593 E N 0.222 120.373 120.200 -0.082 0.000 2.006 593 E HA -0.094 4.258 4.350 0.003 0.000 0.192 593 E C 2.178 178.720 176.600 -0.097 0.000 0.993 593 E CA 0.907 57.259 56.400 -0.080 0.000 0.808 593 E CB -0.047 29.617 29.700 -0.060 0.000 0.764 593 E HN -0.012 nan 8.360 nan 0.000 0.449 594 S N 0.600 116.243 115.700 -0.095 0.000 2.381 594 S HA -0.239 4.233 4.470 0.003 0.000 0.230 594 S C 1.884 176.396 174.600 -0.146 0.000 1.052 594 S CA 1.624 59.757 58.200 -0.111 0.000 1.068 594 S CB -0.183 62.950 63.200 -0.111 0.000 0.918 594 S HN 0.219 nan 8.310 nan 0.000 0.448 595 M N 0.207 119.702 119.600 -0.175 0.000 2.558 595 M HA 0.143 4.625 4.480 0.003 0.000 0.255 595 M C 2.109 178.262 176.300 -0.245 0.000 1.113 595 M CA 0.433 55.591 55.300 -0.236 0.000 1.097 595 M CB -0.179 32.242 32.600 -0.299 0.000 1.426 595 M HN 0.361 nan 8.290 nan 0.000 0.488 596 A N 1.497 124.202 122.820 -0.191 0.000 1.892 596 A HA -0.106 4.216 4.320 0.003 0.000 0.218 596 A C -0.376 177.115 177.584 -0.155 0.000 1.188 596 A CA 1.537 53.470 52.037 -0.173 0.000 0.631 596 A CB -1.989 16.937 19.000 -0.122 0.000 0.822 596 A HN 0.324 nan 8.150 nan 0.000 0.447 597 P HA -0.055 nan 4.420 nan 0.000 0.230 597 P C 1.074 178.300 177.300 -0.123 0.000 1.158 597 P CA 0.994 64.028 63.100 -0.110 0.000 0.769 597 P CB -0.047 31.597 31.700 -0.092 0.000 0.807 598 M N -1.844 117.657 119.600 -0.164 0.000 2.367 598 M HA 0.156 4.638 4.480 0.003 0.000 0.256 598 M C 0.872 177.051 176.300 -0.201 0.000 1.091 598 M CA 0.332 55.531 55.300 -0.168 0.000 1.049 598 M CB 0.262 32.749 32.600 -0.189 0.000 1.406 598 M HN -0.001 nan 8.290 nan 0.000 0.498 599 Q N 0.354 119.992 119.800 -0.270 0.000 2.685 599 Q HA 0.187 4.529 4.340 0.003 0.000 0.301 599 Q C -1.224 174.583 176.000 -0.323 0.000 0.924 599 Q CA -0.554 55.045 55.803 -0.340 0.000 0.755 599 Q CB 1.035 29.379 28.738 -0.656 0.000 1.470 599 Q HN 0.127 nan 8.270 nan 0.000 0.434 600 D N -0.119 120.129 120.400 -0.254 0.000 2.216 600 D HA 0.019 4.661 4.640 0.003 0.000 0.208 600 D C 0.327 176.594 176.300 -0.056 0.000 0.960 600 D CA 0.543 54.498 54.000 -0.075 0.000 0.861 600 D CB 0.074 40.931 40.800 0.094 0.000 0.985 600 D HN 0.601 nan 8.370 nan 0.000 0.493 601 W N 1.581 122.866 121.300 -0.024 0.000 2.496 601 W HA 0.539 5.201 4.660 0.003 0.000 0.327 601 W C -0.094 176.410 176.519 -0.025 0.000 1.086 601 W CA -1.159 56.173 57.345 -0.022 0.000 1.222 601 W CB 0.611 30.059 29.460 -0.020 0.000 1.304 601 W HN -0.414 nan 8.180 nan 0.000 0.547 602 K N 2.105 122.623 120.400 0.197 0.000 2.276 602 K HA 0.160 4.482 4.320 0.003 0.000 0.283 602 K C 0.952 177.688 176.600 0.227 0.000 1.044 602 K CA -0.478 55.867 56.287 0.095 0.000 0.944 602 K CB 2.414 34.943 32.500 0.048 0.000 1.012 602 K HN 0.369 nan 8.250 nan 0.000 0.472 603 V N 2.146 122.152 119.914 0.154 0.000 2.392 603 V HA -0.300 3.821 4.120 0.003 0.000 0.249 603 V C 2.413 178.573 176.094 0.110 0.000 1.059 603 V CA 2.458 64.880 62.300 0.203 0.000 1.051 603 V CB -0.662 31.238 31.823 0.129 0.000 0.658 603 V HN 0.911 nan 8.190 nan 0.000 0.455 604 S N 0.235 115.968 115.700 0.054 0.000 2.374 604 S HA -0.309 4.163 4.470 0.003 0.000 0.227 604 S C 1.642 176.272 174.600 0.050 0.000 1.037 604 S CA 1.893 60.113 58.200 0.034 0.000 1.024 604 S CB -0.661 62.547 63.200 0.014 0.000 0.861 604 S HN 0.619 nan 8.310 nan 0.000 0.456 605 D N 1.088 121.532 120.400 0.073 0.000 2.219 605 D HA 0.015 4.656 4.640 0.003 0.000 0.205 605 D C 2.030 178.358 176.300 0.047 0.000 0.970 605 D CA 0.792 54.830 54.000 0.064 0.000 0.851 605 D CB -0.379 40.473 40.800 0.087 0.000 0.943 605 D HN 0.378 nan 8.370 nan 0.000 0.488 606 V N 0.864 120.814 119.914 0.060 0.000 2.591 606 V HA -0.130 3.992 4.120 0.003 0.000 0.249 606 V C 2.468 178.548 176.094 -0.024 0.000 1.053 606 V CA 0.830 63.131 62.300 0.002 0.000 1.068 606 V CB -0.204 31.608 31.823 -0.018 0.000 0.689 606 V HN 0.179 nan 8.190 nan 0.000 0.462 607 L N -0.419 120.798 121.223 -0.010 0.000 2.044 607 L HA -0.081 4.261 4.340 0.003 0.000 0.205 607 L C 2.547 179.397 176.870 -0.033 0.000 1.075 607 L CA 1.450 56.265 54.840 -0.043 0.000 0.747 607 L CB -0.609 41.442 42.059 -0.012 0.000 0.903 607 L HN 0.187 nan 8.230 nan 0.000 0.435 608 R N 0.316 120.814 120.500 -0.003 0.000 2.316 608 R HA -0.015 4.327 4.340 0.003 0.000 0.202 608 R C -0.134 176.166 176.300 -0.001 0.000 1.029 608 R CA 0.043 56.144 56.100 0.002 0.000 1.018 608 R CB -0.205 30.103 30.300 0.014 0.000 0.888 608 R HN 0.379 nan 8.270 nan 0.000 0.471 609 Q N -0.414 119.380 119.800 -0.009 0.000 2.453 609 Q HA -0.175 4.167 4.340 0.003 0.000 0.350 609 Q C -0.793 175.206 176.000 -0.001 0.000 1.447 609 Q CA 0.230 56.026 55.803 -0.011 0.000 0.968 609 Q CB -1.603 27.129 28.738 -0.010 0.000 1.175 609 Q HN 0.457 nan 8.270 nan 0.000 0.354 610 A N 1.666 124.489 122.820 0.004 0.000 2.462 610 A HA 0.452 4.773 4.320 0.003 0.000 0.243 610 A C -1.796 175.791 177.584 0.005 0.000 1.076 610 A CA -0.997 51.046 52.037 0.010 0.000 0.773 610 A CB 0.118 19.131 19.000 0.021 0.000 1.010 610 A HN 0.218 nan 8.150 nan 0.000 0.493 611 P HA 0.171 nan 4.420 nan 0.000 0.258 611 P C 0.853 178.155 177.300 0.004 0.000 1.172 611 P CA 2.147 65.249 63.100 0.003 0.000 0.762 611 P CB 0.223 31.926 31.700 0.006 0.000 0.764 612 G N 2.314 111.112 108.800 -0.003 0.000 2.225 612 G HA2 -0.039 3.922 3.960 0.003 0.000 0.264 612 G HA3 -0.039 3.922 3.960 0.003 0.000 0.264 612 G C 0.228 175.124 174.900 -0.006 0.000 1.060 612 G CA -0.133 44.964 45.100 -0.005 0.000 0.833 612 G HN 0.823 nan 8.290 nan 0.000 0.498 613 A N -0.242 122.566 122.820 -0.019 0.000 2.312 613 A HA 0.873 5.195 4.320 0.003 0.000 0.326 613 A C -0.008 177.515 177.584 -0.102 0.000 1.172 613 A CA -0.714 51.303 52.037 -0.034 0.000 0.821 613 A CB 0.865 19.856 19.000 -0.015 0.000 1.166 613 A HN 0.092 nan 8.150 nan 0.000 0.493 614 P HA -0.111 nan 4.420 nan 0.000 0.222 614 P C 0.850 177.988 177.300 -0.270 0.000 1.157 614 P CA 2.429 65.323 63.100 -0.344 0.000 0.905 614 P CB -0.140 31.096 31.700 -0.773 0.000 0.792 615 G N -1.913 106.746 108.800 -0.235 0.000 2.716 615 G HA2 -0.171 3.791 3.960 0.003 0.000 0.686 615 G HA3 -0.171 3.791 3.960 0.003 0.000 0.686 615 G C -0.458 174.344 174.900 -0.163 0.000 1.337 615 G CA -0.565 44.441 45.100 -0.156 0.000 0.829 615 G HN 0.270 nan 8.290 nan 0.000 0.599 616 L N 0.751 121.912 121.223 -0.103 0.000 2.796 616 L HA 0.357 4.699 4.340 0.003 0.000 0.235 616 L C 0.727 177.569 176.870 -0.046 0.000 1.344 616 L CA 0.164 54.958 54.840 -0.077 0.000 1.245 616 L CB -0.102 41.932 42.059 -0.041 0.000 1.556 616 L HN 0.608 nan 8.230 nan 0.000 0.423 617 D N -0.889 119.475 120.400 -0.060 0.000 2.469 617 D HA 0.075 4.716 4.640 0.003 0.000 0.213 617 D C 0.416 176.705 176.300 -0.019 0.000 1.135 617 D CA -0.333 53.648 54.000 -0.031 0.000 0.834 617 D CB 0.502 41.282 40.800 -0.033 0.000 1.009 617 D HN 0.363 nan 8.370 nan 0.000 0.507 618 R N -0.083 120.394 120.500 -0.038 0.000 2.548 618 R HA 0.487 4.829 4.340 0.003 0.000 0.280 618 R C 0.317 176.607 176.300 -0.016 0.000 1.061 618 R CA -0.844 55.245 56.100 -0.018 0.000 0.915 618 R CB 1.467 31.744 30.300 -0.037 0.000 1.210 618 R HN -0.197 nan 8.270 nan 0.000 0.442 619 V N 0.210 120.137 119.914 0.023 0.000 2.370 619 V HA -0.337 3.785 4.120 0.003 0.000 0.252 619 V C 1.694 177.789 176.094 0.001 0.000 1.068 619 V CA 2.220 64.528 62.300 0.012 0.000 1.061 619 V CB -0.856 30.919 31.823 -0.080 0.000 0.656 619 V HN 0.969 nan 8.190 nan 0.000 0.455 620 D N -0.065 120.338 120.400 0.004 0.000 2.371 620 D HA -0.061 4.580 4.640 0.003 0.000 0.221 620 D C 1.669 178.073 176.300 0.175 0.000 0.986 620 D CA 0.911 54.957 54.000 0.076 0.000 0.899 620 D CB 0.128 40.978 40.800 0.084 0.000 0.902 620 D HN 0.445 nan 8.370 nan 0.000 0.530 621 V N -0.069 119.839 119.914 -0.011 0.000 2.806 621 V HA -0.065 4.056 4.120 0.003 0.000 0.239 621 V C 2.652 178.743 176.094 -0.006 0.000 1.113 621 V CA 0.267 62.450 62.300 -0.195 0.000 1.137 621 V CB 0.302 31.777 31.823 -0.580 0.000 0.865 621 V HN 0.026 nan 8.190 nan 0.000 0.482 622 V N 0.314 120.220 119.914 -0.013 0.000 2.332 622 V HA -0.308 3.814 4.120 0.003 0.000 0.248 622 V C 2.458 178.605 176.094 0.089 0.000 1.055 622 V CA 2.135 64.453 62.300 0.030 0.000 1.038 622 V CB -0.685 31.163 31.823 0.041 0.000 0.651 622 V HN 0.569 nan 8.190 nan 0.000 0.450 623 Q N -0.562 119.298 119.800 0.099 0.000 1.994 623 Q HA -0.129 4.213 4.340 0.003 0.000 0.198 623 Q C 0.183 176.280 176.000 0.162 0.000 0.976 623 Q CA 1.801 57.675 55.803 0.118 0.000 0.828 623 Q CB -1.341 27.438 28.738 0.070 0.000 0.894 623 Q HN 0.526 nan 8.270 nan 0.000 0.432 624 P HA -0.134 nan 4.420 nan 0.000 0.216 624 P C 1.524 178.976 177.300 0.254 0.000 1.150 624 P CA 1.114 64.330 63.100 0.194 0.000 0.837 624 P CB -0.023 31.804 31.700 0.211 0.000 0.786 625 V N -0.628 119.435 119.914 0.248 0.000 2.343 625 V HA -0.224 3.898 4.120 0.003 0.000 0.247 625 V C 2.452 178.630 176.094 0.141 0.000 1.051 625 V CA 1.633 64.044 62.300 0.185 0.000 1.036 625 V CB -1.212 30.683 31.823 0.120 0.000 0.654 625 V HN 0.073 nan 8.190 nan 0.000 0.451 626 L N -1.248 120.062 121.223 0.145 0.000 2.056 626 L HA -0.175 4.167 4.340 0.003 0.000 0.207 626 L C 2.360 179.325 176.870 0.159 0.000 1.078 626 L CA 1.795 56.718 54.840 0.139 0.000 0.749 626 L CB -0.607 41.537 42.059 0.140 0.000 0.901 626 L HN 0.366 nan 8.230 nan 0.000 0.433 627 F N 0.961 120.951 119.950 0.066 0.000 2.063 627 F HA -0.360 4.168 4.527 0.003 0.000 0.298 627 F C 2.409 178.221 175.800 0.021 0.000 1.109 627 F CA 1.819 59.843 58.000 0.039 0.000 1.212 627 F CB -0.213 38.780 39.000 -0.011 0.000 0.973 627 F HN 0.019 nan 8.300 nan 0.000 0.480 628 A N -0.571 122.316 122.820 0.111 0.000 1.968 628 A HA -0.046 4.276 4.320 0.003 0.000 0.217 628 A C 2.252 179.758 177.584 -0.130 0.000 1.169 628 A CA 1.601 53.618 52.037 -0.034 0.000 0.638 628 A CB -1.201 17.835 19.000 0.061 0.000 0.812 628 A HN 0.315 nan 8.150 nan 0.000 0.446 629 V N 0.066 119.964 119.914 -0.028 0.000 2.283 629 V HA -0.284 3.838 4.120 0.003 0.000 0.243 629 V C 2.644 178.781 176.094 0.071 0.000 1.039 629 V CA 2.101 64.423 62.300 0.037 0.000 1.016 629 V CB -0.693 31.197 31.823 0.112 0.000 0.650 629 V HN 0.564 nan 8.190 nan 0.000 0.449 630 M N -0.711 118.929 119.600 0.066 0.000 2.082 630 M HA -0.224 4.258 4.480 0.003 0.000 0.258 630 M C 2.280 178.648 176.300 0.112 0.000 1.069 630 M CA 1.852 57.237 55.300 0.141 0.000 1.102 630 M CB -0.756 31.989 32.600 0.241 0.000 1.336 630 M HN 0.243 nan 8.290 nan 0.000 0.404 631 V N 0.119 119.949 119.914 -0.140 0.000 2.287 631 V HA -0.268 3.854 4.120 0.003 0.000 0.248 631 V C 2.411 178.494 176.094 -0.019 0.000 1.053 631 V CA 2.300 64.499 62.300 -0.167 0.000 1.027 631 V CB -0.530 30.924 31.823 -0.615 0.000 0.646 631 V HN 0.477 nan 8.190 nan 0.000 0.447 632 S N 0.086 115.725 115.700 -0.102 0.000 2.370 632 S HA -0.196 4.276 4.470 0.003 0.000 0.226 632 S C 1.867 176.561 174.600 0.157 0.000 1.033 632 S CA 1.719 59.854 58.200 -0.109 0.000 1.011 632 S CB -0.443 62.402 63.200 -0.592 0.000 0.852 632 S HN 0.486 nan 8.310 nan 0.000 0.457 633 L N 1.228 122.605 121.223 0.256 0.000 2.046 633 L HA -0.138 4.204 4.340 0.003 0.000 0.208 633 L C 2.835 179.908 176.870 0.339 0.000 1.077 633 L CA 1.203 56.210 54.840 0.279 0.000 0.747 633 L CB -0.760 41.465 42.059 0.276 0.000 0.896 633 L HN 0.349 nan 8.230 nan 0.000 0.432 634 A N -0.591 122.418 122.820 0.314 0.000 1.978 634 A HA -0.181 4.141 4.320 0.003 0.000 0.220 634 A C 2.169 180.027 177.584 0.456 0.000 1.170 634 A CA 1.446 53.729 52.037 0.411 0.000 0.636 634 A CB -0.277 19.037 19.000 0.523 0.000 0.810 634 A HN 0.332 nan 8.150 nan 0.000 0.448 635 E N -0.442 119.943 120.200 0.310 0.000 2.299 635 E HA 0.020 4.372 4.350 0.003 0.000 0.193 635 E C 1.925 178.676 176.600 0.250 0.000 0.998 635 E CA 0.139 56.691 56.400 0.253 0.000 0.851 635 E CB -0.248 29.545 29.700 0.156 0.000 0.795 635 E HN 0.655 nan 8.360 nan 0.000 0.492 636 L N -0.911 120.454 121.223 0.236 0.000 2.005 636 L HA -0.148 4.194 4.340 0.003 0.000 0.207 636 L C 2.137 179.227 176.870 0.366 0.000 1.072 636 L CA 1.281 56.212 54.840 0.152 0.000 0.744 636 L CB -0.323 41.589 42.059 -0.245 0.000 0.895 636 L HN 0.221 nan 8.230 nan 0.000 0.433 637 W N 0.424 121.970 121.300 0.410 0.000 2.318 637 W HA -0.245 4.417 4.660 0.003 0.000 0.313 637 W C 2.808 179.568 176.519 0.401 0.000 1.221 637 W CA 1.466 59.100 57.345 0.481 0.000 1.266 637 W CB -0.261 29.452 29.460 0.421 0.000 1.150 637 W HN 0.059 nan 8.180 nan 0.000 0.496 638 R N -0.399 120.456 120.500 0.591 0.000 2.120 638 R HA -0.123 4.219 4.340 0.003 0.000 0.234 638 R C 2.357 178.805 176.300 0.247 0.000 1.123 638 R CA 1.456 57.776 56.100 0.366 0.000 0.975 638 R CB -0.825 29.651 30.300 0.292 0.000 0.866 638 R HN 0.019 nan 8.270 nan 0.000 0.446 639 S N 0.026 115.869 115.700 0.238 0.000 2.378 639 S HA -0.199 4.272 4.470 0.003 0.000 0.229 639 S C 1.124 175.717 174.600 -0.012 0.000 1.052 639 S CA 1.480 59.729 58.200 0.082 0.000 1.084 639 S CB -0.230 63.011 63.200 0.069 0.000 0.950 639 S HN 0.371 nan 8.310 nan 0.000 0.440 640 Y N 0.710 121.051 120.300 0.068 0.000 2.470 640 Y HA 0.296 4.848 4.550 0.003 0.000 0.302 640 Y C 1.662 177.554 175.900 -0.013 0.000 1.194 640 Y CA 0.169 58.256 58.100 -0.020 0.000 1.271 640 Y CB -0.070 38.314 38.460 -0.126 0.000 1.092 640 Y HN 0.407 nan 8.280 nan 0.000 0.513 641 G N -0.288 108.603 108.800 0.153 0.000 2.157 641 G HA2 -0.264 3.698 3.960 0.003 0.000 0.248 641 G HA3 -0.264 3.698 3.960 0.003 0.000 0.248 641 G C -0.232 174.755 174.900 0.145 0.000 0.979 641 G CA 0.145 45.309 45.100 0.108 0.000 0.650 641 G HN 0.111 nan 8.290 nan 0.000 0.529 642 V N 1.088 121.159 119.914 0.260 0.000 2.339 642 V HA 0.561 4.683 4.120 0.003 0.000 0.261 642 V C 0.262 176.462 176.094 0.177 0.000 1.058 642 V CA -0.329 62.139 62.300 0.280 0.000 0.897 642 V CB 1.340 33.484 31.823 0.534 0.000 1.052 642 V HN 0.396 nan 8.190 nan 0.000 0.480 643 E N 8.332 128.531 120.200 -0.002 0.000 2.166 643 E HA 0.521 4.873 4.350 0.003 0.000 0.275 643 E C -2.522 173.873 176.600 -0.343 0.000 0.941 643 E CA -2.219 54.107 56.400 -0.124 0.000 0.784 643 E CB 1.742 31.417 29.700 -0.042 0.000 1.115 643 E HN 0.392 nan 8.360 nan 0.000 0.399 644 P HA 0.167 nan 4.420 nan 0.000 0.275 644 P C -0.645 176.486 177.300 -0.281 0.000 1.228 644 P CA -0.182 62.490 63.100 -0.713 0.000 0.786 644 P CB 1.769 32.871 31.700 -0.996 0.000 0.927 645 A N 1.792 124.515 122.820 -0.162 0.000 2.115 645 A HA 0.555 4.877 4.320 0.003 0.000 0.211 645 A C 0.894 178.488 177.584 0.017 0.000 1.169 645 A CA 0.907 52.941 52.037 -0.005 0.000 0.787 645 A CB -0.136 18.937 19.000 0.121 0.000 0.858 645 A HN 0.742 nan 8.150 nan 0.000 0.474 646 A N -0.976 121.776 122.820 -0.113 0.000 2.609 646 A HA 0.630 4.952 4.320 0.003 0.000 0.291 646 A C -0.662 176.877 177.584 -0.075 0.000 1.096 646 A CA 0.079 52.037 52.037 -0.132 0.000 0.684 646 A CB 0.754 19.547 19.000 -0.344 0.000 1.282 646 A HN 1.276 nan 8.150 nan 0.000 0.412 647 V N -1.682 118.261 119.914 0.047 0.000 3.046 647 V HA 0.982 5.104 4.120 0.003 0.000 0.316 647 V C -0.673 175.471 176.094 0.083 0.000 1.104 647 V CA -0.776 61.653 62.300 0.215 0.000 1.006 647 V CB 1.447 33.545 31.823 0.458 0.000 1.058 647 V HN 1.092 nan 8.190 nan 0.000 0.440 648 V N 0.862 120.895 119.914 0.197 0.000 2.971 648 V HA 0.928 5.050 4.120 0.003 0.000 0.309 648 V C 0.331 176.599 176.094 0.291 0.000 1.130 648 V CA 0.291 62.644 62.300 0.089 0.000 0.964 648 V CB 2.203 34.061 31.823 0.059 0.000 1.029 648 V HN 1.462 nan 8.190 nan 0.000 0.427 649 G N 0.188 109.119 108.800 0.219 0.000 2.591 649 G HA2 0.584 4.546 3.960 0.003 0.000 0.306 649 G HA3 0.584 4.546 3.960 0.003 0.000 0.306 649 G C -1.770 173.348 174.900 0.365 0.000 1.334 649 G CA -0.587 44.732 45.100 0.365 0.000 0.981 649 G HN 0.823 nan 8.290 nan 0.000 0.491 650 H N 1.710 120.948 119.070 0.280 0.000 2.690 650 H HA 0.467 5.025 4.556 0.003 0.000 0.289 650 H C 1.139 176.580 175.328 0.188 0.000 1.089 650 H CA 1.074 57.221 56.048 0.166 0.000 1.299 650 H CB 0.836 30.554 29.762 -0.073 0.000 1.405 650 H HN 0.853 nan 8.280 nan 0.000 0.463 651 S N 2.821 118.696 115.700 0.293 0.000 4.157 651 S HA -0.455 4.017 4.470 0.003 0.000 0.542 651 S C 1.974 176.810 174.600 0.393 0.000 1.864 651 S CA 2.347 60.778 58.200 0.385 0.000 4.245 651 S CB -1.263 62.239 63.200 0.502 0.000 0.266 651 S HN 0.926 nan 8.310 nan 0.000 0.457 652 Q N 1.278 121.289 119.800 0.352 0.000 2.311 652 Q HA 0.302 4.644 4.340 0.003 0.000 0.203 652 Q C 2.175 178.360 176.000 0.307 0.000 0.954 652 Q CA 1.251 57.227 55.803 0.289 0.000 0.885 652 Q CB -0.925 27.942 28.738 0.214 0.000 0.963 652 Q HN 0.777 nan 8.270 nan 0.000 0.471 653 G N 1.223 110.222 108.800 0.332 0.000 2.535 653 G HA2 -0.220 3.742 3.960 0.003 0.000 0.218 653 G HA3 -0.220 3.742 3.960 0.003 0.000 0.218 653 G C 1.081 176.211 174.900 0.384 0.000 1.122 653 G CA 0.465 45.779 45.100 0.357 0.000 0.769 653 G HN 0.417 nan 8.290 nan 0.000 0.549 654 E N -0.256 120.217 120.200 0.455 0.000 2.347 654 E HA -0.018 4.334 4.350 0.003 0.000 0.196 654 E C 2.265 179.248 176.600 0.638 0.000 1.008 654 E CA 0.158 56.929 56.400 0.618 0.000 0.852 654 E CB -0.022 30.168 29.700 0.818 0.000 0.783 654 E HN 0.563 nan 8.360 nan 0.000 0.505 655 I N 0.903 121.696 120.570 0.372 0.000 2.233 655 I HA -0.203 3.969 4.170 0.003 0.000 0.243 655 I C 2.577 178.868 176.117 0.289 0.000 1.093 655 I CA 0.890 62.260 61.300 0.118 0.000 1.380 655 I CB -0.287 37.636 38.000 -0.128 0.000 1.067 655 I HN 0.021 nan 8.210 nan 0.000 0.413 656 A N 0.968 123.928 122.820 0.233 0.000 1.902 656 A HA -0.140 4.182 4.320 0.003 0.000 0.217 656 A C 2.582 179.855 177.584 -0.519 0.000 1.181 656 A CA 1.760 53.691 52.037 -0.175 0.000 0.623 656 A CB -0.910 17.897 19.000 -0.322 0.000 0.818 656 A HN 0.409 nan 8.150 nan 0.000 0.443 657 A N 0.123 122.568 122.820 -0.624 0.000 1.869 657 A HA -0.036 4.286 4.320 0.003 0.000 0.218 657 A C 2.549 180.208 177.584 0.125 0.000 1.203 657 A CA 2.872 54.679 52.037 -0.384 0.000 0.638 657 A CB -1.251 17.876 19.000 0.211 0.000 0.831 657 A HN 1.212 nan 8.150 nan 0.000 0.450 658 A N -1.662 121.343 122.820 0.308 0.000 1.930 658 A HA -0.118 4.204 4.320 0.003 0.000 0.217 658 A C 2.012 179.632 177.584 0.060 0.000 1.175 658 A CA 2.095 54.201 52.037 0.115 0.000 0.627 658 A CB -0.838 18.231 19.000 0.116 0.000 0.815 658 A HN 0.818 nan 8.150 nan 0.000 0.443 659 H N -0.391 118.710 119.070 0.051 0.000 2.321 659 H HA -0.081 4.477 4.556 0.003 0.000 0.300 659 H C 1.866 177.208 175.328 0.023 0.000 1.087 659 H CA 2.082 58.161 56.048 0.052 0.000 1.319 659 H CB -0.223 29.618 29.762 0.133 0.000 1.379 659 H HN 0.103 nan 8.280 nan 0.000 0.501 660 V N 0.726 120.633 119.914 -0.012 0.000 2.332 660 V HA -0.296 3.826 4.120 0.003 0.000 0.248 660 V C 2.624 178.721 176.094 0.003 0.000 1.055 660 V CA 1.811 64.132 62.300 0.036 0.000 1.038 660 V CB -1.188 30.738 31.823 0.170 0.000 0.651 660 V HN 0.709 nan 8.190 nan 0.000 0.450 661 A N -1.013 121.823 122.820 0.026 0.000 2.121 661 A HA 0.241 4.563 4.320 0.003 0.000 0.218 661 A C 2.122 179.677 177.584 -0.049 0.000 1.154 661 A CA 1.509 53.567 52.037 0.035 0.000 0.679 661 A CB -0.544 18.537 19.000 0.135 0.000 0.795 661 A HN 1.255 nan 8.150 nan 0.000 0.458 662 G N -2.349 106.363 108.800 -0.146 0.000 2.194 662 G HA2 -0.076 3.886 3.960 0.003 0.000 0.236 662 G HA3 -0.076 3.886 3.960 0.003 0.000 0.236 662 G C 1.250 176.079 174.900 -0.119 0.000 0.987 662 G CA 0.978 45.978 45.100 -0.166 0.000 0.635 662 G HN 1.399 nan 8.290 nan 0.000 0.520 663 A N -0.464 122.293 122.820 -0.104 0.000 1.972 663 A HA 0.486 4.808 4.320 0.003 0.000 0.219 663 A C 1.186 178.744 177.584 -0.044 0.000 1.169 663 A CA 1.521 53.501 52.037 -0.095 0.000 0.635 663 A CB -0.106 18.787 19.000 -0.178 0.000 0.810 663 A HN 0.916 nan 8.150 nan 0.000 0.446 664 L N 0.220 121.432 121.223 -0.019 0.000 2.386 664 L HA 0.362 4.704 4.340 0.003 0.000 0.271 664 L C 0.303 177.244 176.870 0.119 0.000 0.993 664 L CA -0.815 54.055 54.840 0.049 0.000 0.819 664 L CB 1.942 44.044 42.059 0.073 0.000 1.294 664 L HN 0.239 nan 8.230 nan 0.000 0.414 665 T N -1.292 113.330 114.554 0.113 0.000 2.855 665 T HA 0.067 4.419 4.350 0.003 0.000 0.314 665 T C 1.016 175.871 174.700 0.258 0.000 1.077 665 T CA -0.540 61.667 62.100 0.178 0.000 1.095 665 T CB 1.106 70.018 68.868 0.073 0.000 0.987 665 T HN 0.466 nan 8.240 nan 0.000 0.546 666 L N 1.050 122.394 121.223 0.203 0.000 2.079 666 L HA -0.004 4.338 4.340 0.003 0.000 0.210 666 L C 2.348 179.163 176.870 -0.090 0.000 1.081 666 L CA 1.816 56.604 54.840 -0.088 0.000 0.752 666 L CB -1.366 40.615 42.059 -0.130 0.000 0.896 666 L HN 0.808 nan 8.230 nan 0.000 0.433 667 E N -0.350 119.818 120.200 -0.053 0.000 2.031 667 E HA -0.185 4.167 4.350 0.003 0.000 0.193 667 E C 1.968 178.494 176.600 -0.122 0.000 0.994 667 E CA 1.505 57.852 56.400 -0.089 0.000 0.800 667 E CB -0.489 29.177 29.700 -0.058 0.000 0.752 667 E HN 0.448 nan 8.360 nan 0.000 0.447 668 D N 0.281 120.630 120.400 -0.085 0.000 2.097 668 D HA -0.112 4.530 4.640 0.003 0.000 0.195 668 D C 1.874 178.047 176.300 -0.211 0.000 0.989 668 D CA 1.643 55.576 54.000 -0.112 0.000 0.827 668 D CB -0.425 40.343 40.800 -0.054 0.000 0.966 668 D HN 0.207 nan 8.370 nan 0.000 0.456 669 A N 0.847 123.539 122.820 -0.214 0.000 1.972 669 A HA -0.050 4.272 4.320 0.003 0.000 0.219 669 A C 2.261 179.452 177.584 -0.655 0.000 1.169 669 A CA 2.085 53.888 52.037 -0.391 0.000 0.635 669 A CB -0.503 18.399 19.000 -0.163 0.000 0.810 669 A HN 0.244 nan 8.150 nan 0.000 0.446 670 A N -0.154 122.337 122.820 -0.548 0.000 1.929 670 A HA -0.082 4.240 4.320 0.003 0.000 0.216 670 A C 2.075 179.424 177.584 -0.392 0.000 1.176 670 A CA 1.795 53.496 52.037 -0.560 0.000 0.628 670 A CB -0.406 18.369 19.000 -0.376 0.000 0.816 670 A HN 0.558 nan 8.150 nan 0.000 0.444 671 K N -0.053 120.169 120.400 -0.297 0.000 2.032 671 K HA -0.134 4.188 4.320 0.003 0.000 0.209 671 K C 1.834 178.288 176.600 -0.244 0.000 1.048 671 K CA 1.661 57.815 56.287 -0.222 0.000 0.927 671 K CB -0.378 32.022 32.500 -0.167 0.000 0.712 671 K HN 0.460 nan 8.250 nan 0.000 0.441 672 L N 0.167 121.197 121.223 -0.322 0.000 1.994 672 L HA -0.183 4.158 4.340 0.003 0.000 0.208 672 L C 2.486 179.173 176.870 -0.304 0.000 1.071 672 L CA 1.042 55.674 54.840 -0.345 0.000 0.745 672 L CB -0.534 41.175 42.059 -0.583 0.000 0.892 672 L HN 0.111 nan 8.230 nan 0.000 0.431 673 V N -0.611 119.068 119.914 -0.390 0.000 2.358 673 V HA -0.209 3.913 4.120 0.003 0.000 0.246 673 V C 2.350 178.330 176.094 -0.190 0.000 1.047 673 V CA 1.483 63.605 62.300 -0.297 0.000 1.035 673 V CB 0.340 31.905 31.823 -0.431 0.000 0.658 673 V HN 0.183 nan 8.190 nan 0.000 0.452 674 V N 0.519 120.305 119.914 -0.212 0.000 2.307 674 V HA -0.114 4.008 4.120 0.003 0.000 0.245 674 V C 2.705 178.736 176.094 -0.106 0.000 1.045 674 V CA 1.968 64.187 62.300 -0.136 0.000 1.024 674 V CB -1.479 30.244 31.823 -0.168 0.000 0.651 674 V HN 0.618 nan 8.190 nan 0.000 0.449 675 G N 1.183 109.908 108.800 -0.125 0.000 2.505 675 G HA2 -0.343 3.618 3.960 0.003 0.000 0.220 675 G HA3 -0.343 3.618 3.960 0.003 0.000 0.220 675 G C 1.609 176.470 174.900 -0.065 0.000 1.145 675 G CA 1.475 46.522 45.100 -0.088 0.000 0.761 675 G HN 0.667 nan 8.290 nan 0.000 0.571 676 R N -0.687 119.767 120.500 -0.076 0.000 2.237 676 R HA 0.321 4.663 4.340 0.003 0.000 0.195 676 R C 2.302 178.543 176.300 -0.099 0.000 0.956 676 R CA 1.159 57.219 56.100 -0.065 0.000 1.029 676 R CB -0.378 29.895 30.300 -0.046 0.000 0.972 676 R HN 0.129 nan 8.270 nan 0.000 0.493 677 S N 1.262 116.908 115.700 -0.090 0.000 2.383 677 S HA -0.158 4.313 4.470 0.003 0.000 0.229 677 S C 1.848 176.401 174.600 -0.078 0.000 1.030 677 S CA 1.624 59.769 58.200 -0.091 0.000 1.002 677 S CB -0.268 62.917 63.200 -0.025 0.000 0.829 677 S HN 0.461 nan 8.310 nan 0.000 0.467 678 R N 0.894 121.364 120.500 -0.050 0.000 2.127 678 R HA 0.166 4.508 4.340 0.003 0.000 0.217 678 R C 1.895 178.172 176.300 -0.038 0.000 1.074 678 R CA 0.616 56.699 56.100 -0.028 0.000 0.991 678 R CB -0.179 30.110 30.300 -0.019 0.000 0.895 678 R HN 0.342 nan 8.270 nan 0.000 0.450 679 L N 0.335 121.527 121.223 -0.051 0.000 2.313 679 L HA -0.038 4.303 4.340 0.003 0.000 0.214 679 L C 2.069 178.898 176.870 -0.069 0.000 1.119 679 L CA 0.448 55.262 54.840 -0.044 0.000 0.809 679 L CB -0.145 41.899 42.059 -0.025 0.000 0.933 679 L HN 0.259 nan 8.230 nan 0.000 0.449 680 M N -0.976 118.541 119.600 -0.139 0.000 2.334 680 M HA -0.067 4.415 4.480 0.003 0.000 0.266 680 M C 2.192 178.425 176.300 -0.112 0.000 1.082 680 M CA 1.089 56.260 55.300 -0.216 0.000 1.141 680 M CB -0.969 31.266 32.600 -0.608 0.000 1.380 680 M HN 0.193 nan 8.290 nan 0.000 0.440 681 R N 1.227 121.681 120.500 -0.077 0.000 2.159 681 R HA -0.101 4.241 4.340 0.003 0.000 0.237 681 R C 1.473 177.773 176.300 0.000 0.000 1.131 681 R CA 1.742 57.832 56.100 -0.017 0.000 0.982 681 R CB 0.000 30.296 30.300 -0.008 0.000 0.868 681 R HN 0.430 nan 8.270 nan 0.000 0.453 682 S N -0.781 114.914 115.700 -0.008 0.000 2.679 682 S HA 0.144 4.616 4.470 0.003 0.000 0.233 682 S C 1.087 175.696 174.600 0.014 0.000 0.951 682 S CA -0.260 57.943 58.200 0.005 0.000 0.973 682 S CB 0.324 63.525 63.200 0.001 0.000 0.778 682 S HN 0.273 nan 8.310 nan 0.000 0.477 683 L N 1.320 122.558 121.223 0.025 0.000 3.086 683 L HA 0.270 4.612 4.340 0.003 0.000 0.274 683 L C 0.576 177.490 176.870 0.072 0.000 1.184 683 L CA -0.232 54.636 54.840 0.047 0.000 1.002 683 L CB 0.388 42.480 42.059 0.055 0.000 1.383 683 L HN 0.354 nan 8.230 nan 0.000 0.582 684 S N 0.205 115.947 115.700 0.069 0.000 2.552 684 S HA 0.293 4.765 4.470 0.003 0.000 0.289 684 S C 1.402 176.033 174.600 0.053 0.000 1.304 684 S CA 0.355 58.602 58.200 0.078 0.000 1.063 684 S CB 0.949 64.188 63.200 0.064 0.000 0.848 684 S HN 0.529 nan 8.310 nan 0.000 0.499 685 G N 1.902 110.731 108.800 0.049 0.000 2.168 685 G HA2 -0.311 3.651 3.960 0.003 0.000 0.263 685 G HA3 -0.311 3.651 3.960 0.003 0.000 0.263 685 G C 0.429 175.346 174.900 0.028 0.000 0.977 685 G CA 0.622 45.740 45.100 0.030 0.000 0.659 685 G HN 0.808 nan 8.290 nan 0.000 0.533 686 E N -0.668 119.555 120.200 0.039 0.000 2.307 686 E HA 0.412 4.764 4.350 0.003 0.000 0.195 686 E C 1.421 178.039 176.600 0.030 0.000 0.975 686 E CA 0.791 57.213 56.400 0.035 0.000 0.878 686 E CB 0.300 30.026 29.700 0.044 0.000 0.845 686 E HN 0.694 nan 8.360 nan 0.000 0.488 687 G N -1.034 107.785 108.800 0.032 0.000 2.687 687 G HA2 0.596 4.558 3.960 0.003 0.000 0.291 687 G HA3 0.596 4.558 3.960 0.003 0.000 0.291 687 G C -0.805 174.086 174.900 -0.015 0.000 1.420 687 G CA -0.288 44.819 45.100 0.012 0.000 0.796 687 G HN 0.190 nan 8.290 nan 0.000 0.485 688 G N -1.500 107.273 108.800 -0.045 0.000 2.788 688 G HA2 0.693 4.655 3.960 0.003 0.000 0.293 688 G HA3 0.693 4.655 3.960 0.003 0.000 0.293 688 G C -1.230 173.611 174.900 -0.099 0.000 1.392 688 G CA -0.821 44.228 45.100 -0.083 0.000 0.810 688 G HN 0.666 nan 8.290 nan 0.000 0.508 689 M N -0.542 118.991 119.600 -0.111 0.000 2.465 689 M HA 0.668 5.150 4.480 0.003 0.000 0.284 689 M C -0.947 175.317 176.300 -0.060 0.000 1.212 689 M CA -0.718 54.530 55.300 -0.088 0.000 0.910 689 M CB 2.816 35.346 32.600 -0.116 0.000 1.725 689 M HN 0.957 nan 8.290 nan 0.000 0.477 690 A N 1.494 124.298 122.820 -0.026 0.000 2.459 690 A HA 0.878 5.200 4.320 0.003 0.000 0.296 690 A C -0.983 176.612 177.584 0.018 0.000 1.039 690 A CA -0.693 51.341 52.037 -0.004 0.000 0.698 690 A CB 1.303 20.312 19.000 0.015 0.000 1.261 690 A HN 0.983 nan 8.150 nan 0.000 0.405 691 A N 1.649 124.473 122.820 0.007 0.000 2.454 691 A HA 0.563 4.885 4.320 0.003 0.000 0.260 691 A C -0.060 177.544 177.584 0.033 0.000 1.106 691 A CA -0.047 52.001 52.037 0.018 0.000 0.780 691 A CB -0.017 18.983 19.000 0.001 0.000 1.044 691 A HN 1.303 nan 8.150 nan 0.000 0.498 692 V N 2.169 122.117 119.914 0.056 0.000 2.435 692 V HA 0.526 4.648 4.120 0.003 0.000 0.290 692 V C 0.733 176.851 176.094 0.041 0.000 1.030 692 V CA -0.081 62.255 62.300 0.061 0.000 0.881 692 V CB 1.585 33.487 31.823 0.132 0.000 0.983 692 V HN 1.066 nan 8.190 nan 0.000 0.445 693 A N 5.885 128.717 122.820 0.020 0.000 3.078 693 A HA 0.711 5.033 4.320 0.003 0.000 0.279 693 A C -0.653 176.942 177.584 0.018 0.000 1.594 693 A CA 0.030 52.076 52.037 0.015 0.000 1.301 693 A CB -0.552 18.450 19.000 0.003 0.000 1.162 693 A HN 0.720 nan 8.150 nan 0.000 0.585 694 L N -0.014 121.228 121.223 0.032 0.000 2.653 694 L HA 0.663 5.005 4.340 0.003 0.000 0.257 694 L C 0.296 177.192 176.870 0.044 0.000 0.969 694 L CA 0.048 54.910 54.840 0.036 0.000 0.869 694 L CB 1.502 43.589 42.059 0.046 0.000 1.439 694 L HN 0.482 nan 8.230 nan 0.000 0.414 695 G N 0.759 109.582 108.800 0.039 0.000 2.569 695 G HA2 0.232 4.193 3.960 0.003 0.000 0.249 695 G HA3 0.232 4.193 3.960 0.003 0.000 0.249 695 G C 0.381 175.310 174.900 0.048 0.000 1.216 695 G CA 0.379 45.502 45.100 0.038 0.000 0.845 695 G HN 0.885 nan 8.290 nan 0.000 0.568 696 E N 0.746 120.971 120.200 0.042 0.000 2.051 696 E HA -0.158 4.194 4.350 0.003 0.000 0.192 696 E C 2.613 179.240 176.600 0.046 0.000 0.991 696 E CA 1.285 57.711 56.400 0.043 0.000 0.799 696 E CB -0.169 29.550 29.700 0.031 0.000 0.748 696 E HN 0.498 nan 8.360 nan 0.000 0.449 697 A N 1.463 124.306 122.820 0.039 0.000 1.865 697 A HA -0.157 4.165 4.320 0.003 0.000 0.217 697 A C 2.450 180.064 177.584 0.050 0.000 1.191 697 A CA 2.285 54.344 52.037 0.037 0.000 0.623 697 A CB -0.984 18.033 19.000 0.029 0.000 0.826 697 A HN 0.436 nan 8.150 nan 0.000 0.444 698 A N -0.895 121.957 122.820 0.054 0.000 1.969 698 A HA 0.068 4.390 4.320 0.003 0.000 0.218 698 A C 2.198 179.844 177.584 0.103 0.000 1.169 698 A CA 1.608 53.686 52.037 0.068 0.000 0.635 698 A CB -0.802 18.232 19.000 0.056 0.000 0.810 698 A HN 0.384 nan 8.150 nan 0.000 0.445 699 V N 0.353 120.333 119.914 0.109 0.000 2.343 699 V HA -0.264 3.858 4.120 0.003 0.000 0.247 699 V C 2.671 178.849 176.094 0.140 0.000 1.051 699 V CA 2.089 64.487 62.300 0.164 0.000 1.036 699 V CB -0.762 31.147 31.823 0.143 0.000 0.654 699 V HN 0.526 nan 8.190 nan 0.000 0.451 700 R N -0.187 120.363 120.500 0.084 0.000 2.091 700 R HA -0.200 4.142 4.340 0.003 0.000 0.238 700 R C 2.282 178.630 176.300 0.080 0.000 1.136 700 R CA 1.591 57.728 56.100 0.061 0.000 0.959 700 R CB -0.489 29.836 30.300 0.042 0.000 0.856 700 R HN 0.581 nan 8.270 nan 0.000 0.437 701 E N 0.902 121.153 120.200 0.085 0.000 2.204 701 E HA -0.162 4.190 4.350 0.003 0.000 0.195 701 E C 1.574 178.246 176.600 0.120 0.000 0.990 701 E CA 0.917 57.366 56.400 0.082 0.000 0.821 701 E CB 0.149 29.889 29.700 0.067 0.000 0.750 701 E HN 0.262 nan 8.360 nan 0.000 0.477 702 R N -0.391 120.224 120.500 0.191 0.000 2.317 702 R HA 0.156 4.498 4.340 0.003 0.000 0.208 702 R C 1.816 178.357 176.300 0.402 0.000 0.914 702 R CA -0.069 56.227 56.100 0.326 0.000 1.060 702 R CB 0.369 30.939 30.300 0.451 0.000 1.015 702 R HN 0.180 nan 8.270 nan 0.000 0.498 703 L N -0.429 120.916 121.223 0.204 0.000 2.585 703 L HA 0.129 4.471 4.340 0.003 0.000 0.226 703 L C 1.896 178.847 176.870 0.135 0.000 1.113 703 L CA 0.235 55.145 54.840 0.116 0.000 0.876 703 L CB 0.045 42.072 42.059 -0.054 0.000 1.072 703 L HN 0.100 nan 8.230 nan 0.000 0.468 704 R N 0.922 121.476 120.500 0.090 0.000 2.083 704 R HA -0.156 4.186 4.340 0.003 0.000 0.237 704 R C -0.581 175.707 176.300 -0.019 0.000 1.137 704 R CA 1.559 57.678 56.100 0.031 0.000 0.951 704 R CB -1.303 29.004 30.300 0.013 0.000 0.851 704 R HN 0.273 nan 8.270 nan 0.000 0.434 705 P HA -0.121 nan 4.420 nan 0.000 0.244 705 P C -0.599 176.454 177.300 -0.410 0.000 1.211 705 P CA 0.897 63.798 63.100 -0.333 0.000 0.760 705 P CB 0.199 31.546 31.700 -0.587 0.000 0.961 706 W N 0.289 121.584 121.300 -0.009 0.000 1.187 706 W HA 0.159 4.821 4.660 0.003 0.000 0.297 706 W C 0.311 176.802 176.519 -0.046 0.000 0.842 706 W CA -0.382 56.948 57.345 -0.025 0.000 2.286 706 W CB -0.041 29.394 29.460 -0.041 0.000 1.736 706 W HN 0.088 nan 8.180 nan 0.000 0.507 707 Q N -0.833 119.048 119.800 0.135 0.000 2.594 707 Q HA -0.146 4.196 4.340 0.003 0.000 0.215 707 Q C 0.284 176.329 176.000 0.076 0.000 0.962 707 Q CA 1.446 57.297 55.803 0.080 0.000 1.003 707 Q CB -0.492 28.273 28.738 0.045 0.000 1.000 707 Q HN 0.002 nan 8.270 nan 0.000 0.571 708 D N 0.382 120.848 120.400 0.109 0.000 2.340 708 D HA 0.072 4.714 4.640 0.003 0.000 0.217 708 D C -0.178 176.141 176.300 0.032 0.000 1.081 708 D CA 0.113 54.157 54.000 0.074 0.000 0.842 708 D CB 0.317 41.174 40.800 0.095 0.000 0.934 708 D HN 0.308 nan 8.370 nan 0.000 0.511 709 R N 0.783 121.293 120.500 0.017 0.000 2.629 709 R HA 0.283 4.625 4.340 0.003 0.000 0.275 709 R C -0.173 176.105 176.300 -0.037 0.000 1.719 709 R CA -0.361 55.713 56.100 -0.045 0.000 1.472 709 R CB 0.739 30.952 30.300 -0.145 0.000 1.237 709 R HN -0.052 nan 8.270 nan 0.000 0.589 710 L N 2.506 123.726 121.223 -0.006 0.000 2.994 710 L HA 0.006 4.348 4.340 0.003 0.000 0.256 710 L C 1.141 178.007 176.870 -0.006 0.000 1.315 710 L CA 0.143 54.982 54.840 -0.002 0.000 1.143 710 L CB -0.410 41.658 42.059 0.015 0.000 1.530 710 L HN 0.540 nan 8.230 nan 0.000 0.422 711 S N -0.990 114.687 115.700 -0.038 0.000 2.534 711 S HA 0.045 4.516 4.470 0.003 0.000 0.241 711 S C 0.804 175.383 174.600 -0.036 0.000 1.334 711 S CA 0.024 58.199 58.200 -0.041 0.000 0.978 711 S CB 0.453 63.591 63.200 -0.103 0.000 0.925 711 S HN 0.188 nan 8.310 nan 0.000 0.522 712 V N -0.020 119.870 119.914 -0.041 0.000 5.999 712 V HA -0.150 3.972 4.120 0.003 0.000 0.275 712 V C 1.257 177.345 176.094 -0.011 0.000 0.606 712 V CA 0.476 62.765 62.300 -0.018 0.000 0.836 712 V CB -2.821 28.995 31.823 -0.011 0.000 0.869 712 V HN 1.151 nan 8.190 nan 0.000 0.497 713 A N 0.565 123.381 122.820 -0.007 0.000 1.930 713 A HA 0.639 4.961 4.320 0.003 0.000 0.215 713 A C 1.120 178.611 177.584 -0.155 0.000 1.176 713 A CA 1.546 53.577 52.037 -0.009 0.000 0.632 713 A CB 0.272 19.305 19.000 0.057 0.000 0.819 713 A HN 2.293 nan 8.150 nan 0.000 0.445 714 A N -1.189 121.584 122.820 -0.078 0.000 2.520 714 A HA 0.582 4.904 4.320 0.003 0.000 0.298 714 A C -1.270 176.317 177.584 0.004 0.000 1.051 714 A CA -0.363 51.635 52.037 -0.064 0.000 0.690 714 A CB 1.457 20.476 19.000 0.032 0.000 1.281 714 A HN 0.450 nan 8.150 nan 0.000 0.402 715 V N 3.121 123.044 119.914 0.016 0.000 2.326 715 V HA 0.319 4.440 4.120 0.003 0.000 0.281 715 V C -0.101 176.060 176.094 0.113 0.000 1.015 715 V CA -0.616 61.714 62.300 0.050 0.000 0.823 715 V CB 1.025 32.866 31.823 0.030 0.000 1.009 715 V HN 0.871 nan 8.190 nan 0.000 0.436 716 N N 3.309 122.091 118.700 0.137 0.000 2.205 716 N HA 0.365 5.107 4.740 0.003 0.000 0.201 716 N C 0.642 176.254 175.510 0.171 0.000 1.128 716 N CA 0.850 54.034 53.050 0.224 0.000 0.867 716 N CB 1.948 40.538 38.487 0.173 0.000 0.996 716 N HN 0.857 nan 8.380 nan 0.000 0.503 717 G N 0.311 109.168 108.800 0.096 0.000 2.333 717 G HA2 0.103 4.065 3.960 0.003 0.000 0.288 717 G HA3 0.103 4.065 3.960 0.003 0.000 0.288 717 G C -2.459 172.463 174.900 0.037 0.000 1.286 717 G CA -0.539 44.595 45.100 0.057 0.000 0.865 717 G HN -0.179 nan 8.290 nan 0.000 0.506 718 P HA 0.188 nan 4.420 nan 0.000 0.227 718 P C 0.833 178.146 177.300 0.022 0.000 1.161 718 P CA 0.688 63.800 63.100 0.019 0.000 0.788 718 P CB 0.300 32.006 31.700 0.010 0.000 0.822 719 R N -0.958 119.556 120.500 0.023 0.000 2.727 719 R HA 0.377 4.718 4.340 0.003 0.000 0.410 719 R C -0.189 176.128 176.300 0.027 0.000 1.101 719 R CA 0.074 56.188 56.100 0.023 0.000 1.045 719 R CB 0.382 30.691 30.300 0.015 0.000 1.380 719 R HN -0.061 nan 8.270 nan 0.000 0.587 720 S N 0.724 116.446 115.700 0.036 0.000 2.496 720 S HA 0.403 4.874 4.470 0.003 0.000 0.221 720 S C -1.047 173.583 174.600 0.050 0.000 1.260 720 S CA -0.345 57.879 58.200 0.040 0.000 1.181 720 S CB 0.705 63.930 63.200 0.041 0.000 1.136 720 S HN -0.005 nan 8.310 nan 0.000 0.467 721 V N 4.545 124.488 119.914 0.048 0.000 2.656 721 V HA 0.609 4.731 4.120 0.003 0.000 0.307 721 V C -0.335 175.786 176.094 0.046 0.000 1.051 721 V CA -0.658 61.672 62.300 0.050 0.000 0.893 721 V CB 2.225 34.082 31.823 0.056 0.000 0.999 721 V HN 0.555 nan 8.190 nan 0.000 0.426 722 V N 5.183 125.117 119.914 0.034 0.000 2.472 722 V HA 0.533 4.655 4.120 0.003 0.000 0.290 722 V C -0.189 175.911 176.094 0.011 0.000 1.037 722 V CA -0.404 61.910 62.300 0.023 0.000 0.908 722 V CB 1.983 33.817 31.823 0.018 0.000 0.985 722 V HN 0.601 nan 8.190 nan 0.000 0.454 723 V N 3.760 123.679 119.914 0.009 0.000 2.581 723 V HA 0.697 4.819 4.120 0.003 0.000 0.303 723 V C -0.098 175.971 176.094 -0.040 0.000 1.041 723 V CA -0.179 62.101 62.300 -0.033 0.000 0.907 723 V CB 2.170 33.964 31.823 -0.049 0.000 0.994 723 V HN 0.865 nan 8.190 nan 0.000 0.442 724 S N 1.731 117.398 115.700 -0.056 0.000 2.572 724 S HA 0.901 5.373 4.470 0.003 0.000 0.274 724 S C -0.246 174.326 174.600 -0.047 0.000 1.150 724 S CA 0.341 58.520 58.200 -0.035 0.000 0.944 724 S CB 1.499 64.712 63.200 0.022 0.000 1.071 724 S HN 1.468 nan 8.310 nan 0.000 0.479 725 G N 2.313 111.085 108.800 -0.046 0.000 2.336 725 G HA2 0.231 4.192 3.960 0.003 0.000 0.286 725 G HA3 0.231 4.192 3.960 0.003 0.000 0.286 725 G C -1.583 173.297 174.900 -0.034 0.000 1.269 725 G CA -0.718 44.360 45.100 -0.037 0.000 0.873 725 G HN 0.597 nan 8.290 nan 0.000 0.494 726 E N 1.211 121.396 120.200 -0.025 0.000 2.415 726 E HA 0.144 4.496 4.350 0.003 0.000 0.260 726 E C -1.265 175.314 176.600 -0.035 0.000 1.016 726 E CA -1.211 55.181 56.400 -0.013 0.000 0.924 726 E CB 1.468 31.173 29.700 0.008 0.000 0.961 726 E HN 0.033 nan 8.360 nan 0.000 0.459 727 P HA -0.144 nan 4.420 nan 0.000 0.217 727 P C 1.078 178.354 177.300 -0.040 0.000 1.148 727 P CA 1.335 64.415 63.100 -0.034 0.000 0.828 727 P CB 0.196 31.886 31.700 -0.017 0.000 0.783 728 G N 0.503 109.290 108.800 -0.022 0.000 2.464 728 G HA2 -0.223 3.739 3.960 0.003 0.000 0.214 728 G HA3 -0.223 3.739 3.960 0.003 0.000 0.214 728 G C 1.738 176.611 174.900 -0.045 0.000 1.218 728 G CA 1.105 46.200 45.100 -0.008 0.000 0.794 728 G HN 0.311 nan 8.290 nan 0.000 0.542 729 A N 0.309 123.089 122.820 -0.067 0.000 1.927 729 A HA -0.112 4.210 4.320 0.003 0.000 0.220 729 A C 2.414 179.698 177.584 -0.500 0.000 1.185 729 A CA 1.987 53.861 52.037 -0.272 0.000 0.639 729 A CB -0.518 18.384 19.000 -0.162 0.000 0.820 729 A HN 0.453 nan 8.150 nan 0.000 0.451 730 L N -0.774 120.288 121.223 -0.268 0.000 2.109 730 L HA -0.055 4.287 4.340 0.003 0.000 0.207 730 L C 2.504 179.293 176.870 -0.136 0.000 1.086 730 L CA 2.120 56.844 54.840 -0.194 0.000 0.760 730 L CB -0.419 41.577 42.059 -0.106 0.000 0.910 730 L HN 0.477 nan 8.230 nan 0.000 0.437 731 R N -0.639 119.792 120.500 -0.115 0.000 2.073 731 R HA -0.176 4.166 4.340 0.003 0.000 0.234 731 R C 2.186 178.435 176.300 -0.085 0.000 1.134 731 R CA 1.475 57.530 56.100 -0.075 0.000 0.952 731 R CB -0.396 29.881 30.300 -0.040 0.000 0.850 731 R HN 0.470 nan 8.270 nan 0.000 0.433 732 A N 0.455 123.212 122.820 -0.106 0.000 1.877 732 A HA -0.210 4.112 4.320 0.003 0.000 0.216 732 A C 2.053 179.571 177.584 -0.110 0.000 1.186 732 A CA 1.466 53.495 52.037 -0.014 0.000 0.620 732 A CB -0.880 18.241 19.000 0.203 0.000 0.822 732 A HN 0.581 nan 8.150 nan 0.000 0.443 733 F N 0.918 120.432 119.950 -0.727 0.000 2.171 733 F HA -0.131 4.397 4.527 0.003 0.000 0.300 733 F C 2.448 178.115 175.800 -0.221 0.000 1.090 733 F CA 1.758 59.351 58.000 -0.678 0.000 1.293 733 F CB -0.104 38.313 39.000 -0.972 0.000 1.013 733 F HN 0.191 nan 8.300 nan 0.000 0.486 734 S N 0.173 115.698 115.700 -0.292 0.000 2.345 734 S HA -0.159 4.313 4.470 0.003 0.000 0.220 734 S C 1.785 176.256 174.600 -0.214 0.000 1.031 734 S CA 1.221 59.257 58.200 -0.273 0.000 0.996 734 S CB -0.325 62.806 63.200 -0.116 0.000 0.882 734 S HN 0.359 nan 8.310 nan 0.000 0.445 735 E N 1.224 121.351 120.200 -0.122 0.000 2.268 735 E HA -0.093 4.259 4.350 0.003 0.000 0.195 735 E C 1.183 177.753 176.600 -0.049 0.000 0.995 735 E CA 0.758 57.120 56.400 -0.063 0.000 0.836 735 E CB -0.352 29.339 29.700 -0.016 0.000 0.763 735 E HN 0.446 nan 8.360 nan 0.000 0.491 736 D N -0.925 119.443 120.400 -0.054 0.000 2.249 736 D HA -0.041 4.601 4.640 0.003 0.000 0.205 736 D C 1.837 178.067 176.300 -0.118 0.000 0.962 736 D CA 0.245 54.235 54.000 -0.017 0.000 0.860 736 D CB -0.349 40.526 40.800 0.124 0.000 0.955 736 D HN 0.116 nan 8.370 nan 0.000 0.505 737 C N 1.247 120.383 119.300 -0.272 0.000 2.667 737 C HA 0.209 4.670 4.460 0.003 0.000 0.287 737 C C 1.455 176.351 174.990 -0.158 0.000 1.256 737 C CA 0.287 59.130 59.018 -0.292 0.000 1.738 737 C CB -0.952 26.509 27.740 -0.466 0.000 2.113 737 C HN 0.336 nan 8.230 nan 0.000 0.470 738 A N -0.230 122.507 122.820 -0.139 0.000 2.566 738 A HA 0.385 4.706 4.320 0.003 0.000 0.245 738 A C 0.918 178.463 177.584 -0.066 0.000 1.056 738 A CA 1.067 53.054 52.037 -0.084 0.000 0.757 738 A CB -0.446 18.511 19.000 -0.072 0.000 0.979 738 A HN 1.931 nan 8.150 nan 0.000 0.508 739 A N 1.808 124.601 122.820 -0.046 0.000 3.832 739 A HA -0.065 4.257 4.320 0.003 0.000 0.206 739 A C 0.793 178.361 177.584 -0.027 0.000 1.151 739 A CA 0.840 52.859 52.037 -0.030 0.000 1.639 739 A CB -1.607 17.380 19.000 -0.022 0.000 0.878 739 A HN 0.914 nan 8.150 nan 0.000 0.774 740 E N -0.582 119.595 120.200 -0.038 0.000 2.676 740 E HA 0.349 4.700 4.350 0.003 0.000 0.225 740 E C 1.024 177.606 176.600 -0.030 0.000 0.944 740 E CA 1.024 57.407 56.400 -0.029 0.000 1.156 740 E CB 0.368 30.050 29.700 -0.030 0.000 1.117 740 E HN 1.857 nan 8.360 nan 0.000 0.523 741 G N 2.299 111.077 108.800 -0.037 0.000 2.221 741 G HA2 -0.225 3.737 3.960 0.003 0.000 0.265 741 G HA3 -0.225 3.737 3.960 0.003 0.000 0.265 741 G C 0.246 175.124 174.900 -0.037 0.000 1.041 741 G CA 0.490 45.570 45.100 -0.033 0.000 0.807 741 G HN 0.193 nan 8.290 nan 0.000 0.502 742 I N 0.041 120.578 120.570 -0.055 0.000 2.342 742 I HA 0.357 4.529 4.170 0.003 0.000 0.291 742 I C 0.964 177.040 176.117 -0.068 0.000 1.010 742 I CA -0.920 60.345 61.300 -0.060 0.000 1.308 742 I CB 1.305 39.255 38.000 -0.083 0.000 1.400 742 I HN 0.183 nan 8.210 nan 0.000 0.488 743 R N 6.015 126.487 120.500 -0.046 0.000 2.248 743 R HA 0.456 4.798 4.340 0.003 0.000 0.328 743 R C -0.925 175.350 176.300 -0.042 0.000 1.067 743 R CA -0.256 55.819 56.100 -0.042 0.000 0.924 743 R CB 0.929 31.214 30.300 -0.026 0.000 1.013 743 R HN 0.590 nan 8.270 nan 0.000 0.454 744 V N 4.707 124.588 119.914 -0.055 0.000 2.444 744 V HA 0.552 4.674 4.120 0.003 0.000 0.294 744 V C -0.436 175.639 176.094 -0.031 0.000 1.022 744 V CA -0.960 61.318 62.300 -0.036 0.000 0.850 744 V CB 1.440 33.236 31.823 -0.046 0.000 0.992 744 V HN 0.893 nan 8.190 nan 0.000 0.426 745 R N 3.020 123.507 120.500 -0.020 0.000 2.674 745 R HA 0.649 4.991 4.340 0.003 0.000 0.266 745 R C -1.140 175.147 176.300 -0.022 0.000 1.016 745 R CA -0.558 55.528 56.100 -0.023 0.000 1.062 745 R CB 1.640 31.927 30.300 -0.021 0.000 1.142 745 R HN 0.692 nan 8.270 nan 0.000 0.517 746 D N 0.837 121.220 120.400 -0.027 0.000 2.229 746 D HA 0.310 4.952 4.640 0.003 0.000 0.249 746 D C -0.302 175.974 176.300 -0.040 0.000 1.027 746 D CA -0.357 53.623 54.000 -0.033 0.000 0.923 746 D CB 1.104 41.883 40.800 -0.035 0.000 1.174 746 D HN 0.276 nan 8.370 nan 0.000 0.443 747 I N 1.565 122.102 120.570 -0.055 0.000 2.385 747 I HA 0.076 4.247 4.170 0.003 0.000 0.294 747 I C 0.259 176.332 176.117 -0.073 0.000 0.988 747 I CA -0.427 60.834 61.300 -0.066 0.000 1.265 747 I CB 1.256 39.205 38.000 -0.085 0.000 1.388 747 I HN 0.315 nan 8.210 nan 0.000 0.480 748 D N 5.936 126.304 120.400 -0.053 0.000 2.540 748 D HA 0.217 4.859 4.640 0.003 0.000 0.237 748 D C -0.619 175.650 176.300 -0.051 0.000 1.181 748 D CA 0.480 54.455 54.000 -0.041 0.000 1.119 748 D CB 0.003 40.791 40.800 -0.021 0.000 1.119 748 D HN 0.127 nan 8.370 nan 0.000 0.498 749 V N 2.083 121.940 119.914 -0.096 0.000 3.120 749 V HA 0.160 4.282 4.120 0.003 0.000 0.303 749 V C -0.287 175.725 176.094 -0.137 0.000 1.238 749 V CA -0.722 61.473 62.300 -0.174 0.000 1.008 749 V CB 2.552 34.101 31.823 -0.456 0.000 1.064 749 V HN 0.111 nan 8.190 nan 0.000 0.434 750 D N 0.980 121.361 120.400 -0.032 0.000 2.469 750 D HA 0.233 4.875 4.640 0.003 0.000 0.215 750 D C -0.491 175.869 176.300 0.099 0.000 1.154 750 D CA 0.329 54.351 54.000 0.036 0.000 0.832 750 D CB 0.384 41.232 40.800 0.080 0.000 1.008 750 D HN 0.575 nan 8.370 nan 0.000 0.506 751 Y N -1.393 118.912 120.300 0.008 0.000 2.659 751 Y HA 0.811 5.363 4.550 0.003 0.000 0.333 751 Y C -0.726 175.180 175.900 0.011 0.000 1.064 751 Y CA -2.033 56.072 58.100 0.008 0.000 1.141 751 Y CB 1.356 39.821 38.460 0.008 0.000 1.316 751 Y HN -0.231 nan 8.280 nan 0.000 0.509 752 A N 1.758 124.674 122.820 0.159 0.000 3.030 752 A HA 0.524 4.846 4.320 0.003 0.000 0.335 752 A C -0.307 177.362 177.584 0.141 0.000 1.089 752 A CA -0.423 51.651 52.037 0.063 0.000 0.807 752 A CB -0.897 18.119 19.000 0.028 0.000 1.099 752 A HN 0.868 nan 8.150 nan 0.000 0.474 753 S N 0.917 116.762 115.700 0.242 0.000 2.587 753 S HA 0.255 4.727 4.470 0.003 0.000 0.260 753 S C 0.871 175.487 174.600 0.027 0.000 1.353 753 S CA 0.622 58.869 58.200 0.078 0.000 0.995 753 S CB -0.103 63.141 63.200 0.072 0.000 0.912 753 S HN 0.841 nan 8.310 nan 0.000 0.568 754 H N -1.926 117.165 119.070 0.034 0.000 3.580 754 H HA -0.186 4.371 4.556 0.003 0.000 0.224 754 H C 0.640 175.961 175.328 -0.013 0.000 1.047 754 H CA 1.228 57.271 56.048 -0.008 0.000 1.204 754 H CB -2.567 27.199 29.762 0.006 0.000 1.193 754 H HN 0.876 nan 8.280 nan 0.000 0.319 755 S N 0.507 116.243 115.700 0.059 0.000 2.730 755 S HA 0.402 4.874 4.470 0.003 0.000 0.284 755 S C -1.622 172.995 174.600 0.028 0.000 1.153 755 S CA -0.940 57.283 58.200 0.038 0.000 0.995 755 S CB 2.779 65.998 63.200 0.031 0.000 1.058 755 S HN -0.172 nan 8.310 nan 0.000 0.552 756 P HA 0.004 nan 4.420 nan 0.000 0.223 756 P C 0.979 178.306 177.300 0.046 0.000 1.151 756 P CA 0.904 64.027 63.100 0.039 0.000 0.787 756 P CB -0.129 31.593 31.700 0.036 0.000 0.788 757 Q N -1.006 118.819 119.800 0.042 0.000 2.508 757 Q HA -0.077 4.265 4.340 0.003 0.000 0.214 757 Q C 1.277 177.311 176.000 0.057 0.000 0.979 757 Q CA 0.644 56.474 55.803 0.046 0.000 0.911 757 Q CB -0.313 28.451 28.738 0.044 0.000 0.969 757 Q HN 0.296 nan 8.270 nan 0.000 0.504 758 I N 0.550 121.157 120.570 0.062 0.000 3.228 758 I HA -0.082 4.090 4.170 0.003 0.000 0.279 758 I C 1.766 177.987 176.117 0.174 0.000 1.221 758 I CA 0.688 62.037 61.300 0.081 0.000 1.458 758 I CB -0.411 37.588 38.000 -0.002 0.000 1.105 758 I HN 0.183 nan 8.210 nan 0.000 0.445 759 E N 0.600 120.896 120.200 0.161 0.000 2.396 759 E HA -0.215 4.137 4.350 0.003 0.000 0.200 759 E C 1.734 178.391 176.600 0.094 0.000 1.023 759 E CA 0.488 56.992 56.400 0.173 0.000 0.857 759 E CB -0.119 29.646 29.700 0.109 0.000 0.775 759 E HN 0.380 nan 8.360 nan 0.000 0.525 760 R N 0.859 121.409 120.500 0.082 0.000 2.317 760 R HA 0.002 4.344 4.340 0.003 0.000 0.208 760 R C 1.526 177.850 176.300 0.039 0.000 0.914 760 R CA 0.335 56.464 56.100 0.047 0.000 1.060 760 R CB 0.508 30.834 30.300 0.044 0.000 1.015 760 R HN 0.138 nan 8.270 nan 0.000 0.498 761 V N -4.600 115.350 119.914 0.060 0.000 3.392 761 V HA 0.201 4.323 4.120 0.003 0.000 0.294 761 V C 1.632 177.748 176.094 0.036 0.000 1.561 761 V CA -0.274 62.056 62.300 0.049 0.000 1.056 761 V CB 0.085 31.945 31.823 0.063 0.000 0.882 761 V HN 0.058 nan 8.190 nan 0.000 0.440 762 R N 2.332 122.832 120.500 -0.001 0.000 2.113 762 R HA -0.266 4.076 4.340 0.003 0.000 0.244 762 R C 2.184 178.362 176.300 -0.204 0.000 1.142 762 R CA 2.913 58.851 56.100 -0.269 0.000 0.953 762 R CB -0.457 29.471 30.300 -0.621 0.000 0.860 762 R HN 0.883 nan 8.270 nan 0.000 0.438 763 E N 0.382 120.503 120.200 -0.130 0.000 2.154 763 E HA -0.346 4.006 4.350 0.003 0.000 0.240 763 E C 1.714 178.282 176.600 -0.054 0.000 1.059 763 E CA 2.213 58.565 56.400 -0.080 0.000 0.954 763 E CB -0.781 28.891 29.700 -0.047 0.000 0.842 763 E HN 0.575 nan 8.360 nan 0.000 0.508 764 E N 0.082 120.265 120.200 -0.030 0.000 2.107 764 E HA -0.124 4.227 4.350 0.003 0.000 0.191 764 E C 2.119 178.713 176.600 -0.011 0.000 0.982 764 E CA 0.666 57.055 56.400 -0.018 0.000 0.809 764 E CB -0.113 29.580 29.700 -0.010 0.000 0.756 764 E HN 0.218 nan 8.360 nan 0.000 0.459 765 L N 1.154 122.378 121.223 0.003 0.000 1.997 765 L HA -0.253 4.088 4.340 0.003 0.000 0.216 765 L C 1.989 178.872 176.870 0.022 0.000 1.074 765 L CA 1.792 56.652 54.840 0.032 0.000 0.763 765 L CB -0.718 41.403 42.059 0.103 0.000 0.890 765 L HN 0.193 nan 8.230 nan 0.000 0.434 766 L N -0.917 120.299 121.223 -0.011 0.000 2.141 766 L HA -0.160 4.182 4.340 0.003 0.000 0.209 766 L C 2.558 179.425 176.870 -0.006 0.000 1.094 766 L CA 1.354 56.189 54.840 -0.008 0.000 0.763 766 L CB -0.670 41.360 42.059 -0.048 0.000 0.908 766 L HN 0.470 nan 8.230 nan 0.000 0.437 767 E N 0.326 120.517 120.200 -0.016 0.000 2.046 767 E HA -0.176 4.176 4.350 0.003 0.000 0.190 767 E C 1.901 178.493 176.600 -0.013 0.000 0.982 767 E CA 1.751 58.142 56.400 -0.016 0.000 0.800 767 E CB 0.076 29.765 29.700 -0.019 0.000 0.756 767 E HN 0.341 nan 8.360 nan 0.000 0.449 768 T N -0.472 114.073 114.554 -0.014 0.000 2.962 768 T HA -0.078 4.274 4.350 0.003 0.000 0.270 768 T C 1.576 176.264 174.700 -0.021 0.000 1.088 768 T CA 1.663 63.751 62.100 -0.020 0.000 1.127 768 T CB -0.113 68.742 68.868 -0.022 0.000 0.883 768 T HN 0.119 nan 8.240 nan 0.000 0.493 769 T N -0.019 114.532 114.554 -0.005 0.000 3.058 769 T HA 0.407 4.758 4.350 0.003 0.000 0.278 769 T C 1.166 175.881 174.700 0.025 0.000 0.974 769 T CA 0.216 62.318 62.100 0.003 0.000 0.893 769 T CB -0.172 68.713 68.868 0.029 0.000 1.138 769 T HN 0.366 nan 8.240 nan 0.000 0.529 770 G N 0.516 109.329 108.800 0.022 0.000 2.466 770 G HA2 0.189 4.151 3.960 0.003 0.000 0.279 770 G HA3 0.189 4.151 3.960 0.003 0.000 0.279 770 G C 0.343 175.252 174.900 0.015 0.000 1.410 770 G CA 0.571 45.687 45.100 0.028 0.000 1.065 770 G HN 0.385 nan 8.290 nan 0.000 0.547 771 D N -2.686 117.721 120.400 0.013 0.000 2.853 771 D HA -0.230 4.412 4.640 0.003 0.000 0.198 771 D C 0.877 177.181 176.300 0.006 0.000 1.076 771 D CA 1.248 55.250 54.000 0.004 0.000 1.019 771 D CB -1.058 39.737 40.800 -0.009 0.000 1.115 771 D HN 0.520 nan 8.370 nan 0.000 0.409 772 I N -0.282 120.299 120.570 0.018 0.000 2.775 772 I HA 0.208 4.380 4.170 0.003 0.000 0.290 772 I C -0.011 176.129 176.117 0.037 0.000 1.203 772 I CA 0.342 61.658 61.300 0.026 0.000 1.433 772 I CB 0.566 38.602 38.000 0.060 0.000 1.354 772 I HN 0.140 nan 8.210 nan 0.000 0.579 773 A N 9.226 132.062 122.820 0.026 0.000 2.511 773 A HA 0.599 4.921 4.320 0.003 0.000 0.340 773 A C -2.314 175.286 177.584 0.028 0.000 1.396 773 A CA -1.490 50.561 52.037 0.023 0.000 0.887 773 A CB -0.170 18.836 19.000 0.009 0.000 1.145 773 A HN 0.658 nan 8.150 nan 0.000 0.497 774 P HA 0.261 nan 4.420 nan 0.000 0.271 774 P C -0.409 176.885 177.300 -0.010 0.000 1.244 774 P CA -0.170 62.943 63.100 0.021 0.000 0.793 774 P CB 0.687 32.391 31.700 0.007 0.000 0.984 775 R N 0.664 121.146 120.500 -0.030 0.000 2.561 775 R HA 0.370 4.712 4.340 0.003 0.000 0.266 775 R C -3.020 173.252 176.300 -0.046 0.000 1.091 775 R CA -1.917 54.165 56.100 -0.030 0.000 0.927 775 R CB 1.702 31.989 30.300 -0.022 0.000 1.240 775 R HN 0.194 nan 8.270 nan 0.000 0.449 776 P HA 0.049 nan 4.420 nan 0.000 0.264 776 P C -1.085 176.191 177.300 -0.040 0.000 1.193 776 P CA 0.156 63.233 63.100 -0.039 0.000 0.763 776 P CB 0.947 32.631 31.700 -0.026 0.000 0.810 777 A N 4.184 126.979 122.820 -0.042 0.000 2.310 777 A HA 0.316 4.638 4.320 0.003 0.000 0.299 777 A C 1.290 178.867 177.584 -0.011 0.000 1.147 777 A CA -0.492 51.525 52.037 -0.034 0.000 0.818 777 A CB 0.582 19.561 19.000 -0.034 0.000 1.096 777 A HN 0.371 nan 8.150 nan 0.000 0.495 778 R N 0.712 121.204 120.500 -0.013 0.000 2.193 778 R HA 0.061 4.403 4.340 0.003 0.000 0.213 778 R C -0.125 176.180 176.300 0.007 0.000 1.055 778 R CA 0.759 56.855 56.100 -0.006 0.000 0.995 778 R CB -0.351 29.941 30.300 -0.014 0.000 0.893 778 R HN 0.510 nan 8.270 nan 0.000 0.459 779 V N 1.024 120.951 119.914 0.021 0.000 2.735 779 V HA 0.188 4.310 4.120 0.003 0.000 0.310 779 V C -0.046 176.092 176.094 0.073 0.000 1.061 779 V CA -0.857 61.463 62.300 0.032 0.000 0.913 779 V CB 2.224 34.060 31.823 0.022 0.000 1.005 779 V HN 0.034 nan 8.190 nan 0.000 0.428 780 T N 4.205 118.804 114.554 0.075 0.000 2.867 780 T HA 0.170 4.522 4.350 0.003 0.000 0.297 780 T C -0.493 174.298 174.700 0.152 0.000 0.989 780 T CA 0.608 62.771 62.100 0.104 0.000 1.159 780 T CB -0.290 68.638 68.868 0.099 0.000 0.928 780 T HN 0.475 nan 8.240 nan 0.000 0.538 781 F N 4.309 124.271 119.950 0.019 0.000 2.293 781 F HA 0.290 4.819 4.527 0.003 0.000 0.370 781 F C 0.421 176.242 175.800 0.035 0.000 1.090 781 F CA -1.047 56.971 58.000 0.030 0.000 1.133 781 F CB 0.295 39.286 39.000 -0.015 0.000 1.360 781 F HN 0.669 nan 8.300 nan 0.000 0.489 782 H N 3.776 122.697 119.070 -0.249 0.000 2.864 782 H HA 0.220 4.777 4.556 0.003 0.000 0.281 782 H C 0.041 175.149 175.328 -0.366 0.000 1.093 782 H CA -0.071 55.848 56.048 -0.216 0.000 1.453 782 H CB 0.653 30.310 29.762 -0.175 0.000 1.462 782 H HN 0.519 nan 8.280 nan 0.000 0.480 783 S N 3.256 118.733 115.700 -0.371 0.000 2.528 783 S HA -0.018 4.454 4.470 0.003 0.000 0.277 783 S C 1.391 175.952 174.600 -0.066 0.000 1.297 783 S CA -0.063 58.035 58.200 -0.170 0.000 1.052 783 S CB 0.495 63.754 63.200 0.099 0.000 0.917 783 S HN 0.876 nan 8.310 nan 0.000 0.492 784 T N 2.354 116.922 114.554 0.024 0.000 3.169 784 T HA 0.135 4.487 4.350 0.003 0.000 0.250 784 T C 1.244 175.963 174.700 0.031 0.000 1.111 784 T CA 0.253 62.382 62.100 0.048 0.000 1.010 784 T CB -0.078 68.824 68.868 0.057 0.000 0.984 784 T HN 0.397 nan 8.240 nan 0.000 0.537 785 V N 1.153 121.104 119.914 0.060 0.000 2.492 785 V HA 0.118 4.240 4.120 0.003 0.000 0.241 785 V C 2.497 178.599 176.094 0.013 0.000 1.041 785 V CA 0.982 63.289 62.300 0.012 0.000 1.057 785 V CB 0.095 31.873 31.823 -0.075 0.000 0.711 785 V HN 0.408 nan 8.190 nan 0.000 0.468 786 E N -0.447 119.783 120.200 0.050 0.000 2.415 786 E HA 0.146 4.498 4.350 0.003 0.000 0.197 786 E C 0.996 177.580 176.600 -0.026 0.000 1.007 786 E CA 0.666 57.079 56.400 0.022 0.000 0.890 786 E CB 0.651 30.383 29.700 0.052 0.000 0.891 786 E HN 0.482 nan 8.360 nan 0.000 0.496 787 S N 0.386 116.047 115.700 -0.066 0.000 3.482 787 S HA -0.196 4.276 4.470 0.003 0.000 0.294 787 S C 0.087 174.527 174.600 -0.268 0.000 1.244 787 S CA 1.136 59.279 58.200 -0.094 0.000 0.911 787 S CB -1.276 61.930 63.200 0.010 0.000 1.070 787 S HN 0.402 nan 8.310 nan 0.000 0.614 788 R N -0.011 120.253 120.500 -0.394 0.000 2.725 788 R HA 0.702 5.044 4.340 0.003 0.000 0.277 788 R C -0.530 175.509 176.300 -0.434 0.000 0.987 788 R CA -0.870 55.017 56.100 -0.355 0.000 0.901 788 R CB 0.863 31.087 30.300 -0.126 0.000 1.207 788 R HN 0.071 nan 8.270 nan 0.000 0.463 789 S N 2.169 117.709 115.700 -0.268 0.000 2.599 789 S HA -0.046 4.426 4.470 0.003 0.000 0.303 789 S C 0.089 174.662 174.600 -0.045 0.000 1.267 789 S CA 0.216 58.370 58.200 -0.077 0.000 1.055 789 S CB 0.089 63.316 63.200 0.046 0.000 0.790 789 S HN 0.447 nan 8.310 nan 0.000 0.500 790 M N 1.643 121.267 119.600 0.040 0.000 2.777 790 M HA 0.361 4.843 4.480 0.003 0.000 0.307 790 M C -0.624 175.691 176.300 0.025 0.000 1.228 790 M CA -0.618 54.703 55.300 0.035 0.000 0.871 790 M CB 1.785 34.400 32.600 0.025 0.000 1.721 790 M HN 0.604 nan 8.290 nan 0.000 0.487 791 D N 0.053 120.425 120.400 -0.045 0.000 2.349 791 D HA 0.361 5.003 4.640 0.003 0.000 0.232 791 D C 1.158 177.388 176.300 -0.116 0.000 1.071 791 D CA 0.133 54.101 54.000 -0.054 0.000 0.832 791 D CB 1.332 42.105 40.800 -0.046 0.000 1.086 791 D HN 0.675 nan 8.370 nan 0.000 0.504 792 G N 2.265 110.994 108.800 -0.118 0.000 2.656 792 G HA2 -0.385 3.577 3.960 0.003 0.000 0.223 792 G HA3 -0.385 3.577 3.960 0.003 0.000 0.223 792 G C 1.450 176.243 174.900 -0.177 0.000 1.130 792 G CA 1.346 46.337 45.100 -0.181 0.000 0.758 792 G HN 0.548 nan 8.290 nan 0.000 0.608 793 T N 0.232 114.718 114.554 -0.115 0.000 3.098 793 T HA 0.010 4.362 4.350 0.003 0.000 0.266 793 T C 2.010 176.648 174.700 -0.102 0.000 1.145 793 T CA 1.295 63.343 62.100 -0.085 0.000 1.092 793 T CB -0.229 68.607 68.868 -0.053 0.000 0.908 793 T HN 0.584 nan 8.240 nan 0.000 0.526 794 E N 0.291 120.396 120.200 -0.158 0.000 2.481 794 E HA 0.121 4.473 4.350 0.003 0.000 0.195 794 E C 0.705 177.131 176.600 -0.290 0.000 1.047 794 E CA 0.142 56.435 56.400 -0.178 0.000 0.867 794 E CB 0.090 29.683 29.700 -0.179 0.000 0.858 794 E HN 0.472 nan 8.360 nan 0.000 0.513 795 L N 2.410 123.421 121.223 -0.354 0.000 2.912 795 L HA 0.076 4.418 4.340 0.003 0.000 0.246 795 L C 0.071 176.893 176.870 -0.081 0.000 1.371 795 L CA -0.237 54.316 54.840 -0.479 0.000 1.196 795 L CB -0.703 41.104 42.059 -0.420 0.000 1.596 795 L HN -0.048 nan 8.230 nan 0.000 0.429 796 D N 0.748 121.119 120.400 -0.049 0.000 2.419 796 D HA -0.005 4.637 4.640 0.003 0.000 0.236 796 D C 1.252 177.709 176.300 0.261 0.000 1.165 796 D CA 0.554 54.617 54.000 0.105 0.000 0.882 796 D CB 1.294 42.130 40.800 0.061 0.000 1.201 796 D HN 0.287 nan 8.370 nan 0.000 0.443 797 A N 3.530 126.544 122.820 0.323 0.000 1.915 797 A HA -0.308 4.014 4.320 0.003 0.000 0.220 797 A C 2.036 179.788 177.584 0.281 0.000 1.198 797 A CA 1.875 54.117 52.037 0.342 0.000 0.647 797 A CB -0.364 18.745 19.000 0.182 0.000 0.825 797 A HN 0.619 nan 8.150 nan 0.000 0.456 798 R N -2.643 117.960 120.500 0.171 0.000 2.148 798 R HA -0.115 4.227 4.340 0.003 0.000 0.227 798 R C 2.115 178.489 176.300 0.123 0.000 1.103 798 R CA 1.483 57.669 56.100 0.142 0.000 0.983 798 R CB -0.393 29.956 30.300 0.082 0.000 0.874 798 R HN 0.784 nan 8.270 nan 0.000 0.451 799 Y N -0.472 119.776 120.300 -0.086 0.000 2.220 799 Y HA -0.187 4.365 4.550 0.003 0.000 0.291 799 Y C 1.414 177.148 175.900 -0.275 0.000 1.129 799 Y CA 1.120 59.060 58.100 -0.266 0.000 1.161 799 Y CB -0.286 37.872 38.460 -0.503 0.000 0.997 799 Y HN 0.020 nan 8.280 nan 0.000 0.522 800 W N -1.084 120.330 121.300 0.189 0.000 2.392 800 W HA -0.200 4.462 4.660 0.003 0.000 0.279 800 W C 2.180 178.697 176.519 -0.003 0.000 1.225 800 W CA 1.232 58.638 57.345 0.103 0.000 1.233 800 W CB -0.658 28.889 29.460 0.145 0.000 1.122 800 W HN 0.223 nan 8.180 nan 0.000 0.561 801 Y N 1.479 121.841 120.300 0.104 0.000 2.184 801 Y HA -0.168 4.383 4.550 0.003 0.000 0.290 801 Y C 2.424 178.290 175.900 -0.057 0.000 1.129 801 Y CA 1.654 59.772 58.100 0.029 0.000 1.144 801 Y CB -0.594 37.878 38.460 0.021 0.000 0.995 801 Y HN -0.215 nan 8.280 nan 0.000 0.513 802 R N 0.376 120.724 120.500 -0.253 0.000 2.096 802 R HA -0.248 4.094 4.340 0.003 0.000 0.240 802 R C 2.218 178.295 176.300 -0.372 0.000 1.139 802 R CA 1.422 57.310 56.100 -0.354 0.000 0.952 802 R CB -0.947 29.179 30.300 -0.291 0.000 0.854 802 R HN 0.452 nan 8.270 nan 0.000 0.436 803 N N 1.639 120.085 118.700 -0.423 0.000 2.036 803 N HA -0.232 4.510 4.740 0.003 0.000 0.199 803 N C 1.813 177.310 175.510 -0.022 0.000 1.036 803 N CA 1.745 54.694 53.050 -0.169 0.000 0.870 803 N CB -0.210 38.314 38.487 0.062 0.000 1.055 803 N HN 0.130 nan 8.380 nan 0.000 0.436 804 L N 1.033 122.176 121.223 -0.133 0.000 2.129 804 L HA -0.133 4.209 4.340 0.003 0.000 0.212 804 L C 2.536 179.103 176.870 -0.506 0.000 1.087 804 L CA 1.778 56.421 54.840 -0.328 0.000 0.757 804 L CB -0.482 41.431 42.059 -0.243 0.000 0.896 804 L HN 0.230 nan 8.230 nan 0.000 0.434 805 R N -0.616 119.604 120.500 -0.467 0.000 2.103 805 R HA 0.122 4.464 4.340 0.003 0.000 0.212 805 R C 0.850 177.100 176.300 -0.083 0.000 1.107 805 R CA 0.392 56.274 56.100 -0.363 0.000 1.025 805 R CB -0.083 29.859 30.300 -0.597 0.000 0.929 805 R HN 0.266 nan 8.270 nan 0.000 0.456 806 E N 0.638 120.805 120.200 -0.054 0.000 2.376 806 E HA 0.063 4.415 4.350 0.003 0.000 0.254 806 E C -0.443 176.208 176.600 0.085 0.000 1.213 806 E CA 0.287 56.690 56.400 0.005 0.000 0.945 806 E CB 0.764 30.432 29.700 -0.053 0.000 1.057 806 E HN 0.315 nan 8.360 nan 0.000 0.479 807 T N -2.254 112.304 114.554 0.008 0.000 2.806 807 T HA 0.269 4.621 4.350 0.003 0.000 0.290 807 T C 0.088 174.726 174.700 -0.102 0.000 0.966 807 T CA -0.883 61.185 62.100 -0.054 0.000 1.060 807 T CB 0.486 69.333 68.868 -0.035 0.000 0.927 807 T HN 0.106 nan 8.240 nan 0.000 0.485 808 V N 5.847 125.626 119.914 -0.226 0.000 2.409 808 V HA 0.175 4.297 4.120 0.003 0.000 0.270 808 V C 1.242 177.262 176.094 -0.123 0.000 1.019 808 V CA -0.067 62.099 62.300 -0.223 0.000 1.066 808 V CB -0.774 30.765 31.823 -0.473 0.000 1.021 808 V HN 0.847 nan 8.190 nan 0.000 0.476 809 R N 3.800 124.268 120.500 -0.054 0.000 4.071 809 R HA 0.186 4.528 4.340 0.003 0.000 0.220 809 R C 0.809 177.111 176.300 0.004 0.000 1.614 809 R CA -0.218 55.874 56.100 -0.013 0.000 1.505 809 R CB -0.078 30.219 30.300 -0.005 0.000 1.384 809 R HN 0.764 nan 8.270 nan 0.000 0.758 810 F N 1.231 121.103 119.950 -0.131 0.000 2.163 810 F HA -0.111 4.418 4.527 0.003 0.000 0.297 810 F C 2.109 177.882 175.800 -0.045 0.000 1.094 810 F CA 1.596 59.534 58.000 -0.103 0.000 1.290 810 F CB 0.149 39.077 39.000 -0.120 0.000 1.017 810 F HN 0.330 nan 8.300 nan 0.000 0.483 811 A N 0.574 123.376 122.820 -0.030 0.000 1.873 811 A HA -0.213 4.109 4.320 0.003 0.000 0.215 811 A C 1.652 179.125 177.584 -0.186 0.000 1.186 811 A CA 1.863 53.828 52.037 -0.120 0.000 0.616 811 A CB -1.197 17.800 19.000 -0.005 0.000 0.823 811 A HN 0.556 nan 8.150 nan 0.000 0.442 812 D N -0.663 119.672 120.400 -0.109 0.000 2.349 812 D HA 0.304 4.946 4.640 0.003 0.000 0.224 812 D C 1.408 177.647 176.300 -0.101 0.000 1.029 812 D CA 0.887 54.836 54.000 -0.085 0.000 0.879 812 D CB -0.032 40.749 40.800 -0.032 0.000 0.906 812 D HN 0.324 nan 8.370 nan 0.000 0.528 813 A N 0.401 123.123 122.820 -0.163 0.000 1.872 813 A HA -0.006 4.315 4.320 0.003 0.000 0.214 813 A C 2.281 179.633 177.584 -0.387 0.000 1.187 813 A CA 1.206 53.108 52.037 -0.224 0.000 0.614 813 A CB -0.699 18.181 19.000 -0.200 0.000 0.826 813 A HN 0.196 nan 8.150 nan 0.000 0.442 814 V N -0.782 118.878 119.914 -0.422 0.000 2.488 814 V HA -0.160 3.962 4.120 0.003 0.000 0.246 814 V C 2.753 178.693 176.094 -0.256 0.000 1.046 814 V CA 2.276 64.341 62.300 -0.391 0.000 1.053 814 V CB -0.933 30.551 31.823 -0.565 0.000 0.679 814 V HN 0.673 nan 8.190 nan 0.000 0.458 815 T N -0.250 114.172 114.554 -0.219 0.000 2.759 815 T HA -0.270 4.082 4.350 0.003 0.000 0.269 815 T C 2.097 176.751 174.700 -0.077 0.000 1.042 815 T CA 2.025 64.048 62.100 -0.129 0.000 1.140 815 T CB -0.187 68.623 68.868 -0.098 0.000 0.864 815 T HN 0.438 nan 8.240 nan 0.000 0.455 816 R N -0.218 120.220 120.500 -0.103 0.000 2.075 816 R HA 0.068 4.410 4.340 0.003 0.000 0.232 816 R C 2.579 178.853 176.300 -0.043 0.000 1.126 816 R CA 1.127 57.189 56.100 -0.064 0.000 0.963 816 R CB -0.368 29.904 30.300 -0.046 0.000 0.858 816 R HN 0.421 nan 8.270 nan 0.000 0.435 817 L N 0.398 121.546 121.223 -0.124 0.000 2.012 817 L HA -0.175 4.167 4.340 0.003 0.000 0.210 817 L C 2.735 179.761 176.870 0.261 0.000 1.073 817 L CA 1.489 56.351 54.840 0.036 0.000 0.748 817 L CB -0.693 41.296 42.059 -0.116 0.000 0.891 817 L HN 0.336 nan 8.230 nan 0.000 0.431 818 A N -0.209 122.744 122.820 0.222 0.000 1.948 818 A HA -0.252 4.070 4.320 0.003 0.000 0.220 818 A C 2.132 179.793 177.584 0.128 0.000 1.177 818 A CA 1.962 54.140 52.037 0.235 0.000 0.636 818 A CB -0.458 18.594 19.000 0.088 0.000 0.815 818 A HN 0.503 nan 8.150 nan 0.000 0.449 819 E N 0.111 120.357 120.200 0.076 0.000 2.158 819 E HA -0.058 4.294 4.350 0.003 0.000 0.191 819 E C 1.502 178.127 176.600 0.042 0.000 0.982 819 E CA 0.911 57.337 56.400 0.045 0.000 0.823 819 E CB -0.039 29.677 29.700 0.025 0.000 0.766 819 E HN 0.704 nan 8.360 nan 0.000 0.468 820 S N -0.363 115.380 115.700 0.070 0.000 2.803 820 S HA 0.248 4.720 4.470 0.003 0.000 0.228 820 S C 1.267 175.819 174.600 -0.081 0.000 0.953 820 S CA 0.190 58.407 58.200 0.029 0.000 0.983 820 S CB 0.370 63.623 63.200 0.087 0.000 0.784 820 S HN 0.384 nan 8.310 nan 0.000 0.498 821 G N 0.085 108.858 108.800 -0.045 0.000 2.157 821 G HA2 -0.273 3.689 3.960 0.003 0.000 0.248 821 G HA3 -0.273 3.689 3.960 0.003 0.000 0.248 821 G C -0.143 174.646 174.900 -0.184 0.000 0.979 821 G CA -0.305 44.725 45.100 -0.118 0.000 0.650 821 G HN 0.551 nan 8.290 nan 0.000 0.529 822 Y N 0.035 120.312 120.300 -0.039 0.000 2.326 822 Y HA 0.540 5.091 4.550 0.003 0.000 0.333 822 Y C 1.316 177.151 175.900 -0.108 0.000 1.240 822 Y CA 0.341 58.363 58.100 -0.131 0.000 1.365 822 Y CB 1.074 39.400 38.460 -0.223 0.000 1.289 822 Y HN 0.067 nan 8.280 nan 0.000 0.548 823 D N -0.106 120.250 120.400 -0.072 0.000 2.335 823 D HA 0.282 4.924 4.640 0.003 0.000 0.284 823 D C -0.910 175.378 176.300 -0.019 0.000 1.096 823 D CA 0.299 54.300 54.000 0.002 0.000 0.844 823 D CB 0.720 41.504 40.800 -0.027 0.000 1.454 823 D HN 0.501 nan 8.370 nan 0.000 0.526 824 A N 0.387 123.038 122.820 -0.281 0.000 2.437 824 A HA 0.610 4.932 4.320 0.003 0.000 0.293 824 A C -1.741 175.593 177.584 -0.418 0.000 1.038 824 A CA -0.503 51.443 52.037 -0.152 0.000 0.708 824 A CB 0.593 19.545 19.000 -0.080 0.000 1.251 824 A HN -0.014 nan 8.150 nan 0.000 0.409 825 F N 2.374 122.299 119.950 -0.041 0.000 2.445 825 F HA 0.549 5.078 4.527 0.003 0.000 0.348 825 F C -0.006 175.716 175.800 -0.131 0.000 1.125 825 F CA -0.465 57.492 58.000 -0.071 0.000 0.983 825 F CB 1.746 40.712 39.000 -0.057 0.000 1.198 825 F HN 0.378 nan 8.300 nan 0.000 0.436 826 I N 2.730 123.231 120.570 -0.116 0.000 2.330 826 I HA 0.214 4.386 4.170 0.003 0.000 0.289 826 I C 0.016 175.923 176.117 -0.350 0.000 1.001 826 I CA -0.621 60.476 61.300 -0.339 0.000 1.193 826 I CB 1.486 38.999 38.000 -0.811 0.000 1.345 826 I HN 0.581 nan 8.210 nan 0.000 0.461 827 E N 6.370 126.439 120.200 -0.219 0.000 2.166 827 E HA 0.166 4.518 4.350 0.003 0.000 0.279 827 E C -0.855 175.574 176.600 -0.285 0.000 1.095 827 E CA -0.427 55.848 56.400 -0.208 0.000 0.888 827 E CB 0.935 30.575 29.700 -0.100 0.000 1.041 827 E HN 0.402 nan 8.360 nan 0.000 0.414 828 V N 5.698 125.332 119.914 -0.466 0.000 2.276 828 V HA 0.148 4.270 4.120 0.003 0.000 0.249 828 V C -0.003 176.015 176.094 -0.126 0.000 1.160 828 V CA 0.029 62.103 62.300 -0.376 0.000 1.042 828 V CB -0.385 31.022 31.823 -0.694 0.000 1.224 828 V HN 0.652 nan 8.190 nan 0.000 0.496 829 S N 4.587 120.292 115.700 0.010 0.000 2.596 829 S HA 0.652 5.124 4.470 0.003 0.000 0.270 829 S C -2.653 172.040 174.600 0.156 0.000 1.155 829 S CA -1.254 56.995 58.200 0.081 0.000 0.827 829 S CB 2.559 65.785 63.200 0.044 0.000 1.130 829 S HN 0.236 nan 8.310 nan 0.000 0.467 830 P HA 0.183 nan 4.420 nan 0.000 0.240 830 P C -0.089 177.506 177.300 0.492 0.000 1.190 830 P CA 0.824 64.144 63.100 0.367 0.000 0.781 830 P CB -0.125 31.765 31.700 0.318 0.000 0.931 831 H N -0.212 118.972 119.070 0.189 0.000 2.961 831 H HA 0.344 4.902 4.556 0.003 0.000 0.371 831 H C -3.060 172.214 175.328 -0.090 0.000 1.190 831 H CA -2.269 53.780 56.048 0.001 0.000 1.138 831 H CB 3.163 32.941 29.762 0.026 0.000 1.816 831 H HN -0.266 nan 8.280 nan 0.000 0.551 832 P HA 0.133 nan 4.420 nan 0.000 0.295 832 P C -0.160 176.967 177.300 -0.287 0.000 1.354 832 P CA -0.296 62.540 63.100 -0.441 0.000 0.814 832 P CB 1.948 33.347 31.700 -0.501 0.000 0.935 833 V N 3.610 123.442 119.914 -0.136 0.000 3.635 833 V HA -0.027 4.095 4.120 0.003 0.000 0.266 833 V C 1.776 177.799 176.094 -0.119 0.000 1.316 833 V CA 0.969 63.217 62.300 -0.086 0.000 1.060 833 V CB 0.746 32.547 31.823 -0.037 0.000 0.820 833 V HN 0.453 nan 8.190 nan 0.000 0.447 834 V N -4.533 115.312 119.914 -0.114 0.000 3.605 834 V HA 0.226 4.348 4.120 0.003 0.000 0.284 834 V C 1.822 177.920 176.094 0.007 0.000 1.386 834 V CA 0.436 62.689 62.300 -0.078 0.000 1.053 834 V CB 0.258 31.998 31.823 -0.137 0.000 0.857 834 V HN 0.131 nan 8.190 nan 0.000 0.436 835 V N 2.513 122.404 119.914 -0.038 0.000 2.252 835 V HA -0.345 3.776 4.120 0.003 0.000 0.249 835 V C 2.971 179.051 176.094 -0.023 0.000 1.056 835 V CA 3.206 65.487 62.300 -0.032 0.000 1.022 835 V CB -0.649 31.135 31.823 -0.065 0.000 0.641 835 V HN 0.882 nan 8.190 nan 0.000 0.445 836 Q N -0.045 119.739 119.800 -0.026 0.000 2.378 836 Q HA -0.015 4.327 4.340 0.003 0.000 0.205 836 Q C 1.981 177.979 176.000 -0.003 0.000 0.954 836 Q CA 1.409 57.201 55.803 -0.018 0.000 0.901 836 Q CB -0.249 28.479 28.738 -0.017 0.000 0.981 836 Q HN 0.552 nan 8.270 nan 0.000 0.483 837 A N 0.956 123.791 122.820 0.025 0.000 1.929 837 A HA -0.012 4.310 4.320 0.003 0.000 0.216 837 A C 2.209 179.831 177.584 0.063 0.000 1.176 837 A CA 1.080 53.158 52.037 0.069 0.000 0.628 837 A CB -0.400 18.678 19.000 0.129 0.000 0.816 837 A HN 0.234 nan 8.150 nan 0.000 0.444 838 V N -0.035 119.909 119.914 0.050 0.000 2.379 838 V HA -0.158 3.964 4.120 0.003 0.000 0.245 838 V C 2.560 178.546 176.094 -0.180 0.000 1.044 838 V CA 1.863 64.108 62.300 -0.092 0.000 1.036 838 V CB -0.613 31.155 31.823 -0.091 0.000 0.664 838 V HN 0.465 nan 8.190 nan 0.000 0.453 839 E N 0.259 120.395 120.200 -0.105 0.000 2.058 839 E HA -0.266 4.086 4.350 0.003 0.000 0.194 839 E C 2.203 178.751 176.600 -0.087 0.000 0.997 839 E CA 1.856 58.199 56.400 -0.095 0.000 0.801 839 E CB -0.150 29.521 29.700 -0.049 0.000 0.746 839 E HN 0.748 nan 8.360 nan 0.000 0.450 840 E N 0.690 120.855 120.200 -0.058 0.000 2.038 840 E HA -0.164 4.188 4.350 0.003 0.000 0.195 840 E C 1.916 178.476 176.600 -0.066 0.000 1.000 840 E CA 1.762 58.136 56.400 -0.044 0.000 0.803 840 E CB -0.367 29.322 29.700 -0.019 0.000 0.750 840 E HN 0.179 nan 8.360 nan 0.000 0.448 841 A N 0.108 122.875 122.820 -0.089 0.000 2.024 841 A HA -0.149 4.173 4.320 0.003 0.000 0.220 841 A C 2.445 179.940 177.584 -0.148 0.000 1.164 841 A CA 1.631 53.596 52.037 -0.120 0.000 0.643 841 A CB -0.572 18.330 19.000 -0.163 0.000 0.806 841 A HN 0.259 nan 8.150 nan 0.000 0.451 842 V N -0.454 119.352 119.914 -0.180 0.000 2.535 842 V HA -0.142 3.980 4.120 0.003 0.000 0.246 842 V C 2.341 178.384 176.094 -0.085 0.000 1.045 842 V CA 1.697 63.893 62.300 -0.172 0.000 1.058 842 V CB -0.468 31.212 31.823 -0.238 0.000 0.689 842 V HN 0.585 nan 8.190 nan 0.000 0.461 843 E N 0.036 120.196 120.200 -0.068 0.000 2.153 843 E HA -0.206 4.146 4.350 0.003 0.000 0.194 843 E C 1.472 178.052 176.600 -0.033 0.000 0.988 843 E CA 0.696 57.072 56.400 -0.039 0.000 0.811 843 E CB 0.072 29.753 29.700 -0.032 0.000 0.746 843 E HN 0.557 nan 8.360 nan 0.000 0.466 844 E N 0.261 120.437 120.200 -0.040 0.000 2.341 844 E HA 0.299 4.651 4.350 0.003 0.000 0.279 844 E C -1.363 175.218 176.600 -0.033 0.000 1.395 844 E CA -0.331 56.051 56.400 -0.031 0.000 1.648 844 E CB 0.192 29.876 29.700 -0.027 0.000 1.524 844 E HN 0.047 nan 8.360 nan 0.000 0.462 845 A N 2.419 125.222 122.820 -0.028 0.000 2.456 845 A HA 0.237 4.559 4.320 0.003 0.000 0.288 845 A C -1.004 176.575 177.584 -0.008 0.000 1.042 845 A CA -0.874 51.151 52.037 -0.020 0.000 0.738 845 A CB 1.037 20.020 19.000 -0.028 0.000 1.266 845 A HN 0.325 nan 8.150 nan 0.000 0.407 846 D N 1.210 121.608 120.400 -0.004 0.000 2.533 846 D HA 0.392 5.034 4.640 0.003 0.000 0.236 846 D C 1.357 177.661 176.300 0.006 0.000 1.137 846 D CA 2.834 56.834 54.000 0.001 0.000 0.867 846 D CB 0.574 41.375 40.800 0.001 0.000 1.170 846 D HN 1.241 nan 8.370 nan 0.000 0.474 847 G N 1.849 110.653 108.800 0.007 0.000 2.475 847 G HA2 -0.095 3.867 3.960 0.003 0.000 0.198 847 G HA3 -0.095 3.867 3.960 0.003 0.000 0.198 847 G C 0.050 174.960 174.900 0.016 0.000 2.226 847 G CA -0.112 44.995 45.100 0.012 0.000 1.626 847 G HN 0.854 nan 8.290 nan 0.000 0.534 848 A N 1.095 123.929 122.820 0.024 0.000 2.376 848 A HA 0.638 4.960 4.320 0.003 0.000 0.298 848 A C 0.858 178.450 177.584 0.013 0.000 1.271 848 A CA 1.056 53.110 52.037 0.028 0.000 0.926 848 A CB 0.501 19.532 19.000 0.052 0.000 1.141 848 A HN 0.516 nan 8.150 nan 0.000 0.539 849 E N 1.332 121.538 120.200 0.010 0.000 2.442 849 E HA -0.077 4.275 4.350 0.003 0.000 0.195 849 E C -0.085 176.520 176.600 0.008 0.000 1.030 849 E CA 0.702 57.105 56.400 0.005 0.000 0.869 849 E CB 0.355 30.057 29.700 0.003 0.000 0.857 849 E HN 0.787 nan 8.360 nan 0.000 0.505 850 D N -0.721 119.690 120.400 0.017 0.000 2.525 850 D HA 0.209 4.851 4.640 0.003 0.000 0.231 850 D C -0.231 176.093 176.300 0.041 0.000 1.216 850 D CA 0.041 54.054 54.000 0.020 0.000 0.813 850 D CB 0.745 41.553 40.800 0.013 0.000 1.108 850 D HN 0.161 nan 8.370 nan 0.000 0.524 851 A N 0.076 122.935 122.820 0.066 0.000 2.429 851 A HA 0.439 4.761 4.320 0.003 0.000 0.242 851 A C -0.029 177.618 177.584 0.106 0.000 1.088 851 A CA -0.143 51.967 52.037 0.122 0.000 0.784 851 A CB 0.699 19.821 19.000 0.203 0.000 1.038 851 A HN 0.167 nan 8.150 nan 0.000 0.501 852 V N 1.485 121.482 119.914 0.139 0.000 2.604 852 V HA 0.619 4.741 4.120 0.003 0.000 0.305 852 V C -0.867 175.330 176.094 0.171 0.000 1.043 852 V CA -0.434 61.934 62.300 0.114 0.000 0.888 852 V CB 1.890 33.760 31.823 0.078 0.000 0.995 852 V HN 0.743 nan 8.190 nan 0.000 0.429 853 V N 6.801 126.784 119.914 0.114 0.000 2.444 853 V HA 0.667 4.789 4.120 0.003 0.000 0.294 853 V C -0.436 175.695 176.094 0.063 0.000 1.022 853 V CA -0.443 61.922 62.300 0.108 0.000 0.850 853 V CB 1.535 33.383 31.823 0.042 0.000 0.992 853 V HN 0.705 nan 8.190 nan 0.000 0.426 854 V N 2.808 122.751 119.914 0.048 0.000 3.040 854 V HA 0.906 5.028 4.120 0.003 0.000 0.312 854 V C 0.694 176.795 176.094 0.011 0.000 1.115 854 V CA -0.172 62.157 62.300 0.048 0.000 0.998 854 V CB 2.069 33.946 31.823 0.091 0.000 1.042 854 V HN 0.901 nan 8.190 nan 0.000 0.433 855 G N 0.527 109.348 108.800 0.035 0.000 2.736 855 G HA2 0.573 4.535 3.960 0.003 0.000 0.229 855 G HA3 0.573 4.535 3.960 0.003 0.000 0.229 855 G C 0.696 175.676 174.900 0.134 0.000 1.380 855 G CA 0.439 45.541 45.100 0.003 0.000 1.040 855 G HN 0.986 nan 8.290 nan 0.000 0.568 856 S N -1.872 113.934 115.700 0.176 0.000 3.429 856 S HA 0.376 4.848 4.470 0.003 0.000 0.237 856 S C 0.681 175.507 174.600 0.376 0.000 1.037 856 S CA -0.137 58.292 58.200 0.382 0.000 0.806 856 S CB -0.458 63.102 63.200 0.600 0.000 0.882 856 S HN 0.364 nan 8.310 nan 0.000 0.556 857 L N 0.957 122.380 121.223 0.333 0.000 2.299 857 L HA 0.741 5.083 4.340 0.003 0.000 0.268 857 L C -0.579 176.490 176.870 0.331 0.000 1.012 857 L CA -1.212 53.860 54.840 0.387 0.000 0.816 857 L CB 1.048 43.351 42.059 0.407 0.000 1.355 857 L HN 0.319 nan 8.230 nan 0.000 0.457 858 H N -1.704 117.448 119.070 0.136 0.000 2.949 858 H HA 0.458 5.015 4.556 0.003 0.000 0.356 858 H C 0.070 175.234 175.328 -0.274 0.000 1.212 858 H CA -0.836 55.237 56.048 0.040 0.000 1.136 858 H CB 1.631 31.376 29.762 -0.029 0.000 1.869 858 H HN 0.324 nan 8.280 nan 0.000 0.556 859 R N 0.198 120.520 120.500 -0.297 0.000 2.143 859 R HA -0.147 4.195 4.340 0.003 0.000 0.239 859 R C -0.171 175.254 176.300 -1.458 0.000 1.126 859 R CA 2.105 57.464 56.100 -1.235 0.000 0.927 859 R CB -0.093 29.788 30.300 -0.698 0.000 0.860 859 R HN 0.587 nan 8.270 nan 0.000 0.433 860 D N -1.353 118.661 120.400 -0.643 0.000 2.463 860 D HA 0.139 4.781 4.640 0.003 0.000 0.224 860 D C -0.036 176.125 176.300 -0.231 0.000 1.174 860 D CA 0.246 53.980 54.000 -0.443 0.000 0.829 860 D CB 1.050 41.717 40.800 -0.223 0.000 0.993 860 D HN 0.288 nan 8.370 nan 0.000 0.497 861 G N 0.211 108.888 108.800 -0.205 0.000 4.766 861 G HA2 0.475 4.437 3.960 0.003 0.000 0.331 861 G HA3 0.475 4.437 3.960 0.003 0.000 0.331 861 G C 0.653 175.633 174.900 0.134 0.000 1.473 861 G CA -0.446 44.635 45.100 -0.032 0.000 1.076 861 G HN 0.148 nan 8.290 nan 0.000 0.544 862 G N 0.610 109.585 108.800 0.291 0.000 2.624 862 G HA2 0.516 4.478 3.960 0.003 0.000 0.217 862 G HA3 0.516 4.478 3.960 0.003 0.000 0.217 862 G C 0.083 175.096 174.900 0.189 0.000 1.506 862 G CA 0.359 45.727 45.100 0.447 0.000 1.072 862 G HN 1.194 nan 8.290 nan 0.000 0.568 863 D N -3.404 117.045 120.400 0.083 0.000 10.820 863 D HA -0.213 4.428 4.640 0.003 0.000 0.345 863 D C 0.600 176.911 176.300 0.018 0.000 3.128 863 D CA 0.712 54.725 54.000 0.022 0.000 2.682 863 D CB -0.663 40.165 40.800 0.047 0.000 1.197 863 D HN 0.734 nan 8.370 nan 0.000 0.939 864 L N 2.608 123.827 121.223 -0.006 0.000 2.156 864 L HA 0.024 4.365 4.340 0.003 0.000 0.208 864 L C 2.347 179.256 176.870 0.065 0.000 1.095 864 L CA 2.517 57.368 54.840 0.018 0.000 0.770 864 L CB -0.573 41.490 42.059 0.005 0.000 0.914 864 L HN 0.648 nan 8.230 nan 0.000 0.439 865 S N -0.632 115.089 115.700 0.036 0.000 2.428 865 S HA -0.003 4.469 4.470 0.003 0.000 0.230 865 S C 2.110 176.719 174.600 0.015 0.000 1.014 865 S CA 0.533 58.746 58.200 0.022 0.000 0.957 865 S CB -0.707 62.495 63.200 0.003 0.000 0.784 865 S HN 0.491 nan 8.310 nan 0.000 0.499 866 A N 1.389 124.229 122.820 0.034 0.000 1.902 866 A HA 0.056 4.378 4.320 0.003 0.000 0.217 866 A C 1.946 179.562 177.584 0.054 0.000 1.181 866 A CA 1.435 53.491 52.037 0.030 0.000 0.623 866 A CB -1.116 17.922 19.000 0.062 0.000 0.818 866 A HN 0.601 nan 8.150 nan 0.000 0.443 867 F N 0.596 120.501 119.950 -0.075 0.000 2.186 867 F HA -0.094 4.435 4.527 0.003 0.000 0.299 867 F C 1.848 177.516 175.800 -0.220 0.000 1.090 867 F CA 1.517 59.429 58.000 -0.147 0.000 1.307 867 F CB -0.213 38.658 39.000 -0.214 0.000 1.019 867 F HN 0.136 nan 8.300 nan 0.000 0.489 868 L N 0.662 121.794 121.223 -0.152 0.000 2.046 868 L HA -0.214 4.128 4.340 0.003 0.000 0.208 868 L C 2.592 179.403 176.870 -0.098 0.000 1.077 868 L CA 1.764 56.508 54.840 -0.161 0.000 0.747 868 L CB -0.780 41.282 42.059 0.005 0.000 0.896 868 L HN 0.170 nan 8.230 nan 0.000 0.432 869 R N -1.137 119.317 120.500 -0.077 0.000 2.235 869 R HA -0.018 4.324 4.340 0.003 0.000 0.213 869 R C 2.123 178.401 176.300 -0.037 0.000 1.059 869 R CA 1.064 57.139 56.100 -0.042 0.000 0.997 869 R CB -0.502 29.770 30.300 -0.048 0.000 0.884 869 R HN 0.081 nan 8.270 nan 0.000 0.462 870 S N 0.937 116.569 115.700 -0.113 0.000 2.377 870 S HA 0.081 4.553 4.470 0.003 0.000 0.223 870 S C 1.885 176.450 174.600 -0.059 0.000 1.030 870 S CA 0.915 59.074 58.200 -0.069 0.000 0.970 870 S CB -0.019 63.103 63.200 -0.129 0.000 0.830 870 S HN 0.273 nan 8.310 nan 0.000 0.473 871 M N 0.776 120.170 119.600 -0.344 0.000 2.200 871 M HA -0.046 4.436 4.480 0.003 0.000 0.265 871 M C 2.440 178.826 176.300 0.143 0.000 1.066 871 M CA 1.136 56.251 55.300 -0.308 0.000 1.127 871 M CB -0.568 31.506 32.600 -0.876 0.000 1.379 871 M HN 0.389 nan 8.290 nan 0.000 0.420 872 A N 0.452 123.455 122.820 0.305 0.000 1.884 872 A HA -0.218 4.103 4.320 0.003 0.000 0.219 872 A C 2.165 179.909 177.584 0.266 0.000 1.197 872 A CA 2.645 54.902 52.037 0.367 0.000 0.637 872 A CB -1.373 17.714 19.000 0.145 0.000 0.827 872 A HN 0.475 nan 8.150 nan 0.000 0.450 873 T N 0.124 114.774 114.554 0.159 0.000 2.720 873 T HA -0.025 4.327 4.350 0.003 0.000 0.268 873 T C 2.169 176.955 174.700 0.144 0.000 1.037 873 T CA 1.769 63.942 62.100 0.122 0.000 1.144 873 T CB -0.463 68.459 68.868 0.090 0.000 0.864 873 T HN 0.644 nan 8.240 nan 0.000 0.444 874 A N 0.861 123.794 122.820 0.188 0.000 1.929 874 A HA -0.120 4.202 4.320 0.003 0.000 0.216 874 A C 2.134 179.840 177.584 0.204 0.000 1.176 874 A CA 1.439 53.589 52.037 0.188 0.000 0.628 874 A CB -0.836 18.317 19.000 0.256 0.000 0.816 874 A HN 0.692 nan 8.150 nan 0.000 0.444 875 H N -0.663 118.515 119.070 0.180 0.000 2.326 875 H HA -0.057 4.501 4.556 0.003 0.000 0.301 875 H C 1.860 177.294 175.328 0.177 0.000 1.081 875 H CA 1.822 57.998 56.048 0.213 0.000 1.334 875 H CB 0.033 30.050 29.762 0.425 0.000 1.385 875 H HN 0.206 nan 8.280 nan 0.000 0.504 876 V N 0.801 120.771 119.914 0.095 0.000 3.026 876 V HA -0.136 3.986 4.120 0.003 0.000 0.265 876 V C 1.220 177.298 176.094 -0.027 0.000 1.121 876 V CA 1.738 64.041 62.300 0.005 0.000 1.142 876 V CB -0.170 31.704 31.823 0.084 0.000 0.730 876 V HN 0.350 nan 8.190 nan 0.000 0.503 877 S N -0.640 115.058 115.700 -0.003 0.000 2.664 877 S HA 0.472 4.943 4.470 0.003 0.000 0.245 877 S C 1.170 175.761 174.600 -0.015 0.000 1.019 877 S CA 0.500 58.695 58.200 -0.008 0.000 0.996 877 S CB 0.960 64.173 63.200 0.021 0.000 0.878 877 S HN 0.763 nan 8.310 nan 0.000 0.493 878 G N 0.734 109.504 108.800 -0.049 0.000 2.211 878 G HA2 -0.216 3.745 3.960 0.003 0.000 0.201 878 G HA3 -0.216 3.745 3.960 0.003 0.000 0.201 878 G C 0.035 174.947 174.900 0.021 0.000 0.997 878 G CA -0.345 44.737 45.100 -0.030 0.000 0.652 878 G HN 0.385 nan 8.290 nan 0.000 0.500 879 V N 3.642 123.593 119.914 0.063 0.000 2.508 879 V HA 0.431 4.553 4.120 0.003 0.000 0.281 879 V C 0.444 176.656 176.094 0.196 0.000 1.041 879 V CA -0.119 62.248 62.300 0.113 0.000 1.016 879 V CB 1.356 33.266 31.823 0.144 0.000 0.984 879 V HN 0.510 nan 8.190 nan 0.000 0.478 880 D N 5.370 125.873 120.400 0.170 0.000 2.225 880 D HA 0.519 5.160 4.640 0.003 0.000 0.249 880 D C -0.695 175.643 176.300 0.063 0.000 1.052 880 D CA -0.440 53.691 54.000 0.217 0.000 0.909 880 D CB 2.409 43.307 40.800 0.163 0.000 1.186 880 D HN 0.353 nan 8.370 nan 0.000 0.431 881 I N 0.850 121.336 120.570 -0.140 0.000 2.569 881 I HA 0.217 4.389 4.170 0.003 0.000 0.290 881 I C 0.407 176.243 176.117 -0.468 0.000 1.088 881 I CA -0.852 60.155 61.300 -0.488 0.000 1.047 881 I CB 2.377 39.625 38.000 -1.253 0.000 1.237 881 I HN 0.145 nan 8.210 nan 0.000 0.421 882 R N 4.795 125.176 120.500 -0.198 0.000 2.609 882 R HA 0.065 4.407 4.340 0.003 0.000 0.271 882 R C 0.024 176.330 176.300 0.011 0.000 1.403 882 R CA 0.300 56.360 56.100 -0.066 0.000 1.138 882 R CB 0.130 30.413 30.300 -0.030 0.000 1.142 882 R HN 0.663 nan 8.270 nan 0.000 0.559 883 W N 1.338 122.691 121.300 0.089 0.000 2.519 883 W HA -0.139 4.522 4.660 0.003 0.000 0.266 883 W C 1.851 178.420 176.519 0.083 0.000 1.253 883 W CA 0.395 57.804 57.345 0.106 0.000 1.274 883 W CB 0.146 29.600 29.460 -0.009 0.000 1.114 883 W HN 0.587 nan 8.180 nan 0.000 0.596 884 D N 0.168 120.712 120.400 0.240 0.000 2.149 884 D HA -0.196 4.446 4.640 0.003 0.000 0.198 884 D C 1.980 178.323 176.300 0.073 0.000 0.990 884 D CA 1.424 55.504 54.000 0.132 0.000 0.839 884 D CB -1.045 39.803 40.800 0.079 0.000 0.948 884 D HN 0.116 nan 8.370 nan 0.000 0.460 885 V N 1.769 121.675 119.914 -0.013 0.000 2.439 885 V HA -0.285 3.837 4.120 0.003 0.000 0.253 885 V C 2.788 178.833 176.094 -0.082 0.000 1.074 885 V CA 2.051 64.234 62.300 -0.196 0.000 1.076 885 V CB -0.793 30.686 31.823 -0.573 0.000 0.664 885 V HN 0.441 nan 8.190 nan 0.000 0.461 886 A N -1.130 121.813 122.820 0.206 0.000 2.167 886 A HA 0.198 4.520 4.320 0.003 0.000 0.214 886 A C 1.241 178.917 177.584 0.154 0.000 1.151 886 A CA 0.563 52.779 52.037 0.298 0.000 0.735 886 A CB -0.161 19.120 19.000 0.468 0.000 0.802 886 A HN 0.536 nan 8.150 nan 0.000 0.467 887 L N 1.650 122.940 121.223 0.111 0.000 2.679 887 L HA 0.280 4.622 4.340 0.003 0.000 0.238 887 L C -2.514 174.383 176.870 0.045 0.000 1.330 887 L CA -1.714 53.168 54.840 0.071 0.000 0.935 887 L CB 0.948 43.050 42.059 0.070 0.000 1.243 887 L HN 0.050 nan 8.230 nan 0.000 0.484 888 P HA 0.083 nan 4.420 nan 0.000 0.269 888 P C 1.063 178.376 177.300 0.021 0.000 1.209 888 P CA 0.630 63.739 63.100 0.015 0.000 0.776 888 P CB 1.298 33.000 31.700 0.003 0.000 0.876 889 G N 1.378 110.191 108.800 0.020 0.000 2.205 889 G HA2 -0.296 3.666 3.960 0.003 0.000 0.269 889 G HA3 -0.296 3.666 3.960 0.003 0.000 0.269 889 G C 0.616 175.537 174.900 0.035 0.000 0.977 889 G CA 0.508 45.623 45.100 0.025 0.000 0.652 889 G HN 0.925 nan 8.290 nan 0.000 0.539 890 A N -0.331 122.513 122.820 0.040 0.000 2.407 890 A HA 0.698 5.020 4.320 0.003 0.000 0.257 890 A C 0.833 178.449 177.584 0.053 0.000 1.131 890 A CA 1.349 53.416 52.037 0.050 0.000 0.803 890 A CB 0.256 19.286 19.000 0.050 0.000 1.083 890 A HN 2.207 nan 8.150 nan 0.000 0.512 891 A N 0.304 123.164 122.820 0.066 0.000 2.374 891 A HA 0.727 5.049 4.320 0.003 0.000 0.305 891 A C -2.932 174.714 177.584 0.104 0.000 1.053 891 A CA -1.635 50.447 52.037 0.074 0.000 0.726 891 A CB 1.014 20.059 19.000 0.074 0.000 1.229 891 A HN 0.566 nan 8.150 nan 0.000 0.431 892 P HA 0.413 nan 4.420 nan 0.000 0.275 892 P C -1.015 176.378 177.300 0.155 0.000 1.228 892 P CA -0.025 63.145 63.100 0.116 0.000 0.786 892 P CB 0.333 32.079 31.700 0.077 0.000 0.927 893 F N 2.018 121.973 119.950 0.008 0.000 2.436 893 F HA 0.594 5.123 4.527 0.003 0.000 0.340 893 F C 0.111 175.914 175.800 0.004 0.000 1.113 893 F CA -1.017 56.985 58.000 0.004 0.000 1.022 893 F CB 1.051 40.052 39.000 0.001 0.000 1.128 893 F HN 0.379 nan 8.300 nan 0.000 0.466 894 A N 6.865 129.377 122.820 -0.514 0.000 2.546 894 A HA 0.426 4.748 4.320 0.003 0.000 0.243 894 A C -0.704 176.764 177.584 -0.192 0.000 1.063 894 A CA 0.120 51.966 52.037 -0.317 0.000 0.757 894 A CB -0.314 18.478 19.000 -0.347 0.000 0.991 894 A HN 0.826 nan 8.150 nan 0.000 0.503 895 L N 2.790 123.990 121.223 -0.038 0.000 2.298 895 L HA 0.576 4.918 4.340 0.003 0.000 0.268 895 L C -1.938 174.942 176.870 0.018 0.000 1.010 895 L CA -2.242 52.619 54.840 0.036 0.000 0.812 895 L CB 0.895 42.995 42.059 0.068 0.000 1.331 895 L HN 0.476 nan 8.230 nan 0.000 0.450 896 P HA 0.212 nan 4.420 nan 0.000 0.276 896 P C -0.628 176.688 177.300 0.027 0.000 1.252 896 P CA -0.484 62.628 63.100 0.020 0.000 0.802 896 P CB 0.487 32.191 31.700 0.007 0.000 1.035 897 T N -2.123 112.453 114.554 0.037 0.000 2.788 897 T HA 0.220 4.572 4.350 0.003 0.000 0.280 897 T C 0.060 174.753 174.700 -0.011 0.000 0.984 897 T CA -0.541 61.604 62.100 0.074 0.000 0.972 897 T CB -0.046 68.903 68.868 0.133 0.000 1.039 897 T HN 0.303 nan 8.240 nan 0.000 0.530 898 Y N 2.931 123.136 120.300 -0.158 0.000 2.987 898 Y HA 0.175 4.727 4.550 0.003 0.000 0.339 898 Y C -1.825 173.689 175.900 -0.643 0.000 1.272 898 Y CA -1.130 56.688 58.100 -0.470 0.000 1.562 898 Y CB 0.436 38.312 38.460 -0.972 0.000 1.253 898 Y HN 0.438 nan 8.280 nan 0.000 0.604 899 P HA 0.119 nan 4.420 nan 0.000 0.245 899 P C -1.088 175.971 177.300 -0.401 0.000 1.740 899 P CA -0.181 62.623 63.100 -0.494 0.000 1.125 899 P CB -0.488 30.976 31.700 -0.393 0.000 1.747 900 F N 1.296 121.228 119.950 -0.031 0.000 2.602 900 F HA 0.066 4.595 4.527 0.003 0.000 0.367 900 F C 1.567 177.351 175.800 -0.025 0.000 1.126 900 F CA 0.833 58.834 58.000 0.002 0.000 1.321 900 F CB 0.276 39.261 39.000 -0.025 0.000 1.094 900 F HN 0.205 nan 8.300 nan 0.000 0.594 901 Q N 4.055 123.962 119.800 0.178 0.000 2.462 901 Q HA 0.338 4.679 4.340 0.003 0.000 0.247 901 Q C -0.440 175.614 176.000 0.090 0.000 1.044 901 Q CA -0.287 55.567 55.803 0.085 0.000 0.803 901 Q CB 1.328 30.091 28.738 0.042 0.000 1.190 901 Q HN 0.622 nan 8.270 nan 0.000 0.507 902 R N 1.012 121.572 120.500 0.099 0.000 2.540 902 R HA 0.512 4.854 4.340 0.003 0.000 0.287 902 R C 0.047 176.415 176.300 0.113 0.000 0.980 902 R CA -0.482 55.693 56.100 0.125 0.000 0.966 902 R CB 1.771 32.158 30.300 0.146 0.000 1.106 902 R HN 0.179 nan 8.270 nan 0.000 0.480 903 K N 1.536 122.038 120.400 0.171 0.000 2.295 903 K HA 0.331 4.652 4.320 0.003 0.000 0.239 903 K C -0.401 176.195 176.600 -0.006 0.000 0.991 903 K CA -1.084 55.225 56.287 0.037 0.000 0.845 903 K CB 2.135 34.597 32.500 -0.064 0.000 1.197 903 K HN 0.362 nan 8.250 nan 0.000 0.441 904 R N 1.671 122.080 120.500 -0.152 0.000 2.489 904 R HA 0.062 4.404 4.340 0.003 0.000 0.287 904 R C -1.286 174.750 176.300 -0.440 0.000 1.053 904 R CA 0.531 56.552 56.100 -0.132 0.000 1.036 904 R CB 0.209 30.458 30.300 -0.085 0.000 0.966 904 R HN 0.471 nan 8.270 nan 0.000 0.432 905 Y N 4.288 124.729 120.300 0.234 0.000 2.361 905 Y HA 0.406 4.958 4.550 0.003 0.000 0.328 905 Y C -0.729 175.430 175.900 0.431 0.000 1.044 905 Y CA -0.604 57.656 58.100 0.266 0.000 1.085 905 Y CB 1.517 40.104 38.460 0.212 0.000 1.194 905 Y HN 0.541 nan 8.280 nan 0.000 0.438 906 W N 5.615 127.076 121.300 0.269 0.000 3.571 906 W HA 0.494 5.156 4.660 0.003 0.000 0.294 906 W C -2.155 174.477 176.519 0.187 0.000 1.257 906 W CA -0.947 56.565 57.345 0.278 0.000 1.206 906 W CB 1.730 31.292 29.460 0.171 0.000 1.325 906 W HN 0.414 nan 8.180 nan 0.000 0.546 907 L N 4.230 125.340 121.223 -0.188 0.000 2.334 907 L HA 0.327 4.669 4.340 0.003 0.000 0.277 907 L C 0.364 177.211 176.870 -0.039 0.000 1.075 907 L CA -0.134 54.604 54.840 -0.170 0.000 0.804 907 L CB 1.531 43.314 42.059 -0.459 0.000 1.174 907 L HN 0.404 nan 8.230 nan 0.000 0.438 908 Q N 0.000 119.823 119.800 0.039 0.000 2.315 908 Q HA 0.000 4.342 4.340 0.003 0.000 0.214 908 Q CA 0.000 55.853 55.803 0.083 0.000 1.022 908 Q CB 0.000 28.813 28.738 0.125 0.000 1.108 908 Q HN 0.000 nan 8.270 nan 0.000 0.481