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 2z8r_1_A DATA FIRST_RESID 38 DATA SEQUENCE AARQMEALNR GLVAVKTDGG IFVSWRFLGT ENASVLFNVY RDGQKLNAAP DATA SEQUENCE VKTTNYVDKN GSAGSTYTVR AVVNGTEQPA SEKASVWAQP YHSVPLDKPA DATA SEQUENCE GGTTPKGESY TYSANDASVG DVDGDGQYEL ILKWDPSNSK DNSQDGYTGD DATA SEQUENCE VLIDAYKLDG TKLWRINLGK NIRAGAHYTQ FMVYDLDGDG KAEVAMKTAD DATA SEQUENCE GTKDGTGKVI GNANADYRNE QGRVLSGPEY LTVFQGSTGK ELVTANFEPA DATA SEQUENCE RGNVSDWGDS YGNRVDRFLA GIAYLDGQRP SLIMTRGYYA KTMLVAYNFR DATA SEQUENCE DGKLSKLWTL DSSKSGNEAF AGQGNHNLSI ADVDGDGKDE IIFGSMAVDH DATA SEQUENCE DGKGMYSTGL GHGDALHTGD LDPGRPGLEV FQVHEDKNAK YGLSFRDAAT DATA SEQUENCE GKILWGVYAG KDVGRGMAAD IDPRYPGQEV WANGSLYSAK GVKIGSGVPS DATA SEQUENCE STNFGIWWDG DLLREQLDSN RIDKWDYQNG VSKNMLTASG AAANNGTKAT DATA SEQUENCE PTLQADLLGD WREEVVWRTE DSSALRIYTT TIPTEHRLYT LMHDPVYRLG DATA SEQUENCE IAWQNIAYNQ PPHTSFFLGD GMAEQPKPNM YTP 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 38 A HA 0.000 nan 4.320 nan 0.000 0.244 38 A C 0.000 177.635 177.584 0.086 0.000 1.274 38 A CA 0.000 52.075 52.037 0.062 0.000 0.836 38 A CB 0.000 19.048 19.000 0.079 0.000 0.831 39 A N 1.275 124.166 122.820 0.118 0.000 2.477 39 A HA 0.566 4.858 4.320 -0.046 0.000 0.246 39 A C 0.496 178.234 177.584 0.256 0.000 1.078 39 A CA 0.204 52.342 52.037 0.168 0.000 0.770 39 A CB -0.025 19.114 19.000 0.231 0.000 1.011 39 A HN 0.729 nan 8.150 nan 0.000 0.494 40 R N 1.367 121.922 120.500 0.092 0.000 2.404 40 R HA 0.212 4.524 4.340 -0.046 0.000 0.291 40 R C 0.180 176.290 176.300 -0.317 0.000 1.025 40 R CA -0.525 55.590 56.100 0.024 0.000 0.991 40 R CB 1.007 31.219 30.300 -0.146 0.000 1.053 40 R HN 0.906 nan 8.270 nan 0.000 0.479 41 Q N 3.520 123.088 119.800 -0.386 0.000 2.247 41 Q HA -0.004 4.309 4.340 -0.046 0.000 0.288 41 Q C -0.741 175.165 176.000 -0.156 0.000 1.079 41 Q CA 0.672 56.066 55.803 -0.682 0.000 0.932 41 Q CB 0.524 29.153 28.738 -0.181 0.000 1.133 41 Q HN 0.324 nan 8.270 nan 0.000 0.377 42 M N 2.577 122.031 119.600 -0.243 0.000 2.704 42 M HA 0.359 4.811 4.480 -0.046 0.000 0.284 42 M C -0.865 175.421 176.300 -0.023 0.000 1.275 42 M CA -0.781 54.488 55.300 -0.051 0.000 0.811 42 M CB 1.757 34.298 32.600 -0.098 0.000 1.741 42 M HN 0.563 nan 8.290 nan 0.000 0.458 43 E N 0.988 121.245 120.200 0.096 0.000 2.338 43 E HA 0.457 4.779 4.350 -0.046 0.000 0.272 43 E C -0.295 176.392 176.600 0.145 0.000 1.029 43 E CA -0.271 56.183 56.400 0.091 0.000 0.872 43 E CB 0.945 30.697 29.700 0.086 0.000 1.015 43 E HN 0.640 nan 8.360 nan 0.000 0.417 44 A N 4.687 127.547 122.820 0.067 0.000 2.395 44 A HA 0.243 4.535 4.320 -0.046 0.000 0.286 44 A C -0.425 177.185 177.584 0.042 0.000 1.193 44 A CA -0.107 51.972 52.037 0.070 0.000 0.852 44 A CB -0.252 18.774 19.000 0.044 0.000 1.118 44 A HN 0.528 nan 8.150 nan 0.000 0.524 45 L N 3.016 124.288 121.223 0.081 0.000 2.331 45 L HA 0.351 4.663 4.340 -0.046 0.000 0.275 45 L C 0.586 177.466 176.870 0.017 0.000 1.022 45 L CA -1.101 53.729 54.840 -0.017 0.000 0.812 45 L CB 1.549 43.568 42.059 -0.067 0.000 1.257 45 L HN 0.922 nan 8.230 nan 0.000 0.435 46 N N 1.270 119.960 118.700 -0.017 0.000 2.332 46 N HA 0.022 4.734 4.740 -0.046 0.000 0.282 46 N C 0.677 176.216 175.510 0.049 0.000 1.288 46 N CA -0.422 52.640 53.050 0.019 0.000 0.949 46 N CB 0.285 38.775 38.487 0.005 0.000 1.108 46 N HN 0.410 nan 8.380 nan 0.000 0.542 47 R N -1.493 119.042 120.500 0.059 0.000 2.237 47 R HA 0.116 4.428 4.340 -0.046 0.000 0.219 47 R C 0.914 177.278 176.300 0.106 0.000 1.080 47 R CA 1.123 57.277 56.100 0.091 0.000 0.995 47 R CB -1.204 29.122 30.300 0.044 0.000 0.875 47 R HN 0.922 nan 8.270 nan 0.000 0.462 48 G N 0.413 109.256 108.800 0.072 0.000 2.258 48 G HA2 -0.307 3.625 3.960 -0.046 0.000 0.274 48 G HA3 -0.307 3.625 3.960 -0.046 0.000 0.274 48 G C -0.166 174.788 174.900 0.090 0.000 1.021 48 G CA 0.454 45.602 45.100 0.081 0.000 0.798 48 G HN 0.367 nan 8.290 nan 0.000 0.507 49 L N 0.158 121.428 121.223 0.079 0.000 2.499 49 L HA 0.626 4.938 4.340 -0.046 0.000 0.273 49 L C 0.437 177.320 176.870 0.021 0.000 1.195 49 L CA 0.140 55.020 54.840 0.066 0.000 0.882 49 L CB 1.384 43.451 42.059 0.014 0.000 1.133 49 L HN 0.337 nan 8.230 nan 0.000 0.483 50 V N 5.140 125.027 119.914 -0.045 0.000 2.925 50 V HA 0.936 5.028 4.120 -0.046 0.000 0.311 50 V C -0.931 174.997 176.094 -0.277 0.000 1.104 50 V CA 0.031 62.216 62.300 -0.192 0.000 0.954 50 V CB 1.975 33.608 31.823 -0.315 0.000 1.022 50 V HN 1.079 nan 8.190 nan 0.000 0.427 51 A N 5.076 127.677 122.820 -0.365 0.000 2.381 51 A HA 0.863 5.155 4.320 -0.046 0.000 0.299 51 A C -1.608 175.789 177.584 -0.312 0.000 1.049 51 A CA -0.469 51.370 52.037 -0.330 0.000 0.715 51 A CB 1.920 20.747 19.000 -0.289 0.000 1.222 51 A HN 1.069 nan 8.150 nan 0.000 0.428 52 V N 2.502 122.304 119.914 -0.188 0.000 2.577 52 V HA 0.368 4.461 4.120 -0.046 0.000 0.303 52 V C 0.122 176.240 176.094 0.040 0.000 1.042 52 V CA -0.858 61.391 62.300 -0.085 0.000 0.872 52 V CB 1.815 33.544 31.823 -0.156 0.000 0.998 52 V HN 0.956 nan 8.190 nan 0.000 0.423 53 K N 3.159 123.613 120.400 0.090 0.000 2.416 53 K HA 0.426 4.718 4.320 -0.046 0.000 0.283 53 K C 0.183 176.823 176.600 0.067 0.000 1.037 53 K CA 0.195 56.533 56.287 0.085 0.000 0.995 53 K CB 0.618 33.173 32.500 0.093 0.000 0.938 53 K HN 0.998 nan 8.250 nan 0.000 0.475 54 T N -0.205 114.386 114.554 0.061 0.000 2.864 54 T HA 0.222 4.544 4.350 -0.046 0.000 0.289 54 T C 0.460 175.186 174.700 0.043 0.000 1.082 54 T CA -0.886 61.241 62.100 0.044 0.000 1.009 54 T CB 1.259 70.145 68.868 0.031 0.000 1.234 54 T HN 0.491 nan 8.240 nan 0.000 0.526 55 D N 0.667 121.088 120.400 0.034 0.000 2.219 55 D HA 0.023 4.635 4.640 -0.046 0.000 0.205 55 D C 1.967 178.284 176.300 0.029 0.000 0.970 55 D CA 1.397 55.416 54.000 0.031 0.000 0.851 55 D CB -0.463 40.352 40.800 0.025 0.000 0.943 55 D HN 0.828 nan 8.370 nan 0.000 0.488 56 G N -0.409 108.408 108.800 0.028 0.000 2.985 56 G HA2 0.371 4.303 3.960 -0.046 0.000 0.209 56 G HA3 0.371 4.303 3.960 -0.046 0.000 0.209 56 G C 0.827 175.747 174.900 0.033 0.000 1.165 56 G CA 0.502 45.617 45.100 0.025 0.000 0.776 56 G HN 0.570 nan 8.290 nan 0.000 0.541 57 G N -0.192 108.637 108.800 0.047 0.000 2.342 57 G HA2 -0.036 3.896 3.960 -0.046 0.000 0.220 57 G HA3 -0.036 3.896 3.960 -0.046 0.000 0.220 57 G C -0.994 173.950 174.900 0.074 0.000 1.243 57 G CA -0.675 44.462 45.100 0.062 0.000 1.083 57 G HN 0.260 nan 8.290 nan 0.000 0.500 58 I N 1.015 121.633 120.570 0.080 0.000 2.315 58 I HA 0.437 4.580 4.170 -0.046 0.000 0.291 58 I C 0.046 176.166 176.117 0.005 0.000 1.006 58 I CA -0.682 60.646 61.300 0.046 0.000 1.265 58 I CB 0.564 38.592 38.000 0.047 0.000 1.387 58 I HN 0.483 nan 8.210 nan 0.000 0.475 59 F N 7.682 127.555 119.950 -0.128 0.000 2.420 59 F HA 0.472 4.971 4.527 -0.047 0.000 0.352 59 F C -0.310 175.361 175.800 -0.216 0.000 1.108 59 F CA -0.234 57.675 58.000 -0.152 0.000 1.162 59 F CB 0.882 39.786 39.000 -0.159 0.000 1.118 59 F HN 0.149 nan 8.300 nan 0.000 0.510 60 V N 5.718 125.183 119.914 -0.748 0.000 2.540 60 V HA 0.598 4.690 4.120 -0.046 0.000 0.302 60 V C -0.598 175.147 176.094 -0.581 0.000 1.035 60 V CA -0.458 61.536 62.300 -0.510 0.000 0.873 60 V CB 1.552 33.166 31.823 -0.348 0.000 0.992 60 V HN 0.890 nan 8.190 nan 0.000 0.428 61 S N 3.768 119.287 115.700 -0.301 0.000 2.627 61 S HA 0.942 5.384 4.470 -0.046 0.000 0.283 61 S C -1.373 173.243 174.600 0.027 0.000 1.127 61 S CA -0.719 57.303 58.200 -0.295 0.000 0.863 61 S CB 2.497 65.507 63.200 -0.317 0.000 1.121 61 S HN 1.177 nan 8.310 nan 0.000 0.479 62 W N -0.192 120.975 121.300 -0.221 0.000 2.959 62 W HA 0.735 5.367 4.660 -0.046 0.000 0.358 62 W C -1.366 175.072 176.519 -0.135 0.000 1.228 62 W CA -1.229 56.002 57.345 -0.189 0.000 1.183 62 W CB 0.509 29.813 29.460 -0.260 0.000 1.467 62 W HN 0.740 nan 8.180 nan 0.000 0.578 63 R N 1.194 121.786 120.500 0.153 0.000 2.441 63 R HA 0.409 4.721 4.340 -0.046 0.000 0.284 63 R C -1.099 175.356 176.300 0.258 0.000 1.070 63 R CA -0.774 55.408 56.100 0.137 0.000 1.047 63 R CB 0.860 31.247 30.300 0.146 0.000 1.016 63 R HN 0.390 nan 8.270 nan 0.000 0.477 64 F N 4.528 124.518 119.950 0.066 0.000 2.350 64 F HA 0.288 4.787 4.527 -0.046 0.000 0.365 64 F C -0.599 175.390 175.800 0.314 0.000 1.122 64 F CA -1.144 56.967 58.000 0.184 0.000 1.139 64 F CB 0.204 39.195 39.000 -0.014 0.000 1.220 64 F HN 0.289 nan 8.300 nan 0.000 0.499 65 L N 5.310 126.727 121.223 0.323 0.000 2.395 65 L HA 0.288 4.600 4.340 -0.046 0.000 0.269 65 L C 1.683 178.681 176.870 0.214 0.000 1.133 65 L CA -0.098 54.921 54.840 0.298 0.000 0.812 65 L CB 0.915 43.150 42.059 0.293 0.000 1.125 65 L HN 0.798 nan 8.230 nan 0.000 0.452 66 G N -0.187 108.795 108.800 0.304 0.000 2.535 66 G HA2 -0.206 3.726 3.960 -0.046 0.000 0.218 66 G HA3 -0.206 3.726 3.960 -0.046 0.000 0.218 66 G C 1.243 175.952 174.900 -0.318 0.000 1.122 66 G CA 0.999 45.941 45.100 -0.263 0.000 0.769 66 G HN 0.763 nan 8.290 nan 0.000 0.549 67 T N -1.925 112.556 114.554 -0.122 0.000 3.129 67 T HA 0.235 4.558 4.350 -0.046 0.000 0.251 67 T C 0.582 175.281 174.700 -0.002 0.000 1.117 67 T CA -0.044 62.014 62.100 -0.071 0.000 1.034 67 T CB 0.273 69.132 68.868 -0.014 0.000 0.968 67 T HN 0.354 nan 8.240 nan 0.000 0.526 68 E N 1.515 121.737 120.200 0.037 0.000 2.191 68 E HA 0.373 4.695 4.350 -0.046 0.000 0.278 68 E C -0.638 176.075 176.600 0.188 0.000 0.972 68 E CA -0.664 55.821 56.400 0.141 0.000 0.804 68 E CB 1.051 30.919 29.700 0.281 0.000 1.110 68 E HN 0.435 nan 8.360 nan 0.000 0.394 69 N N 0.471 119.295 118.700 0.206 0.000 2.424 69 N HA 0.102 4.814 4.740 -0.046 0.000 0.257 69 N C 0.842 176.564 175.510 0.354 0.000 1.250 69 N CA -0.146 53.038 53.050 0.224 0.000 0.946 69 N CB 0.758 39.319 38.487 0.123 0.000 1.175 69 N HN 0.555 nan 8.380 nan 0.000 0.477 70 A N 0.436 123.433 122.820 0.295 0.000 2.076 70 A HA -0.169 4.123 4.320 -0.046 0.000 0.220 70 A C 1.882 179.521 177.584 0.091 0.000 1.160 70 A CA 1.732 53.906 52.037 0.229 0.000 0.653 70 A CB -0.719 18.363 19.000 0.137 0.000 0.801 70 A HN 0.700 nan 8.150 nan 0.000 0.455 71 S N -1.142 114.604 115.700 0.076 0.000 2.603 71 S HA 0.194 4.636 4.470 -0.046 0.000 0.220 71 S C 0.552 175.136 174.600 -0.025 0.000 0.967 71 S CA 0.278 58.487 58.200 0.015 0.000 0.920 71 S CB -0.747 62.463 63.200 0.016 0.000 0.773 71 S HN 0.296 nan 8.310 nan 0.000 0.529 72 V N 2.122 122.029 119.914 -0.012 0.000 2.715 72 V HA 0.428 4.520 4.120 -0.046 0.000 0.299 72 V C -0.282 175.623 176.094 -0.314 0.000 1.054 72 V CA -0.185 62.030 62.300 -0.142 0.000 1.077 72 V CB 0.852 32.635 31.823 -0.066 0.000 0.972 72 V HN 0.515 nan 8.190 nan 0.000 0.484 73 L N 5.344 126.308 121.223 -0.432 0.000 2.230 73 L HA 0.718 5.030 4.340 -0.046 0.000 0.255 73 L C -1.405 175.062 176.870 -0.672 0.000 1.039 73 L CA -0.761 53.841 54.840 -0.397 0.000 0.846 73 L CB 2.207 44.185 42.059 -0.134 0.000 1.419 73 L HN 0.497 nan 8.230 nan 0.000 0.435 74 F N -0.687 119.312 119.950 0.082 0.000 2.578 74 F HA 0.403 4.902 4.527 -0.047 0.000 0.311 74 F C -0.359 175.428 175.800 -0.021 0.000 1.094 74 F CA -0.585 57.444 58.000 0.048 0.000 0.923 74 F CB 1.841 40.925 39.000 0.141 0.000 1.230 74 F HN 0.297 nan 8.300 nan 0.000 0.450 75 N N 0.550 119.327 118.700 0.128 0.000 2.362 75 N HA 0.699 5.412 4.740 -0.046 0.000 0.298 75 N C -1.638 173.804 175.510 -0.113 0.000 1.048 75 N CA -0.763 52.282 53.050 -0.009 0.000 0.858 75 N CB 2.342 40.868 38.487 0.065 0.000 1.218 75 N HN 0.200 nan 8.380 nan 0.000 0.488 76 V N 2.650 122.356 119.914 -0.345 0.000 2.398 76 V HA 0.341 4.433 4.120 -0.046 0.000 0.286 76 V C -1.002 174.866 176.094 -0.376 0.000 1.026 76 V CA -0.516 61.544 62.300 -0.399 0.000 0.868 76 V CB 0.263 31.683 31.823 -0.671 0.000 0.982 76 V HN 0.599 nan 8.190 nan 0.000 0.443 77 Y N 3.403 123.597 120.300 -0.175 0.000 2.350 77 Y HA 0.560 5.082 4.550 -0.047 0.000 0.338 77 Y C 0.377 176.193 175.900 -0.140 0.000 0.961 77 Y CA -0.648 57.373 58.100 -0.132 0.000 1.100 77 Y CB 1.794 40.180 38.460 -0.123 0.000 1.179 77 Y HN 0.487 nan 8.280 nan 0.000 0.454 78 R N 3.775 124.218 120.500 -0.095 0.000 2.215 78 R HA 0.156 4.468 4.340 -0.046 0.000 0.336 78 R C -0.793 175.381 176.300 -0.210 0.000 0.996 78 R CA -0.122 55.762 56.100 -0.361 0.000 0.847 78 R CB 0.176 30.265 30.300 -0.352 0.000 1.127 78 R HN 0.854 nan 8.270 nan 0.000 0.465 79 D N 3.926 124.194 120.400 -0.220 0.000 2.686 79 D HA -0.200 4.412 4.640 -0.046 0.000 0.235 79 D C 0.656 176.930 176.300 -0.045 0.000 1.160 79 D CA 1.602 55.530 54.000 -0.120 0.000 0.645 79 D CB -0.747 39.981 40.800 -0.119 0.000 1.039 79 D HN 1.102 nan 8.370 nan 0.000 0.423 80 G N 0.213 109.017 108.800 0.006 0.000 2.179 80 G HA2 -0.363 3.569 3.960 -0.046 0.000 0.260 80 G HA3 -0.363 3.569 3.960 -0.046 0.000 0.260 80 G C 0.164 175.186 174.900 0.203 0.000 0.977 80 G CA 0.642 45.776 45.100 0.055 0.000 0.641 80 G HN 0.586 nan 8.290 nan 0.000 0.533 81 Q N 0.517 120.401 119.800 0.141 0.000 2.314 81 Q HA 0.521 4.834 4.340 -0.046 0.000 0.259 81 Q C 0.226 176.166 176.000 -0.101 0.000 0.951 81 Q CA -0.749 55.089 55.803 0.059 0.000 0.909 81 Q CB 0.638 29.366 28.738 -0.016 0.000 1.236 81 Q HN 0.314 nan 8.270 nan 0.000 0.444 82 K N 4.145 124.345 120.400 -0.332 0.000 2.412 82 K HA 0.058 4.350 4.320 -0.046 0.000 0.281 82 K C 0.354 176.719 176.600 -0.393 0.000 1.027 82 K CA 0.079 55.887 56.287 -0.799 0.000 0.989 82 K CB 0.527 32.553 32.500 -0.791 0.000 0.935 82 K HN 0.762 nan 8.250 nan 0.000 0.475 83 L N 2.730 123.720 121.223 -0.389 0.000 2.357 83 L HA 0.017 4.329 4.340 -0.046 0.000 0.211 83 L C 0.577 177.380 176.870 -0.113 0.000 1.075 83 L CA -0.074 54.649 54.840 -0.195 0.000 0.830 83 L CB -0.156 41.792 42.059 -0.185 0.000 0.996 83 L HN 0.674 nan 8.230 nan 0.000 0.467 84 N N 0.638 119.221 118.700 -0.194 0.000 2.419 84 N HA 0.220 4.932 4.740 -0.046 0.000 0.277 84 N C 0.516 175.992 175.510 -0.056 0.000 1.006 84 N CA 0.199 53.219 53.050 -0.049 0.000 0.923 84 N CB 2.081 40.546 38.487 -0.037 0.000 1.140 84 N HN -0.073 nan 8.380 nan 0.000 0.488 85 A N 2.033 124.850 122.820 -0.006 0.000 1.933 85 A HA 0.210 4.502 4.320 -0.046 0.000 0.218 85 A C 0.953 178.528 177.584 -0.014 0.000 1.175 85 A CA 1.439 53.467 52.037 -0.015 0.000 0.628 85 A CB -0.352 18.649 19.000 0.002 0.000 0.814 85 A HN 0.935 nan 8.150 nan 0.000 0.444 86 A N -0.985 121.836 122.820 0.003 0.000 2.435 86 A HA 0.670 4.962 4.320 -0.046 0.000 0.304 86 A C -3.009 174.585 177.584 0.016 0.000 1.064 86 A CA -1.935 50.106 52.037 0.005 0.000 0.727 86 A CB 0.674 19.681 19.000 0.012 0.000 1.284 86 A HN 0.055 nan 8.150 nan 0.000 0.415 87 P HA 0.208 nan 4.420 nan 0.000 0.265 87 P C -0.109 177.232 177.300 0.068 0.000 1.187 87 P CA 0.183 63.301 63.100 0.031 0.000 0.766 87 P CB 0.451 32.154 31.700 0.004 0.000 0.820 88 V N 0.720 120.718 119.914 0.141 0.000 2.713 88 V HA 0.433 4.525 4.120 -0.046 0.000 0.307 88 V C 1.074 177.296 176.094 0.213 0.000 1.052 88 V CA -0.386 62.025 62.300 0.186 0.000 0.967 88 V CB 2.021 34.013 31.823 0.280 0.000 1.019 88 V HN 0.464 nan 8.190 nan 0.000 0.459 89 K N 1.102 121.577 120.400 0.125 0.000 2.121 89 K HA 0.166 4.458 4.320 -0.046 0.000 0.203 89 K C 0.787 177.420 176.600 0.055 0.000 1.041 89 K CA 0.752 57.077 56.287 0.064 0.000 0.969 89 K CB 0.065 32.543 32.500 -0.036 0.000 0.799 89 K HN 0.878 nan 8.250 nan 0.000 0.456 90 T N 1.547 116.094 114.554 -0.012 0.000 2.930 90 T HA -0.002 4.321 4.350 -0.046 0.000 0.306 90 T C 0.519 175.037 174.700 -0.303 0.000 1.045 90 T CA 0.060 62.079 62.100 -0.136 0.000 1.134 90 T CB 1.336 70.130 68.868 -0.123 0.000 0.961 90 T HN 0.350 nan 8.240 nan 0.000 0.545 91 T N 0.036 114.226 114.554 -0.607 0.000 3.330 91 T HA 0.219 4.541 4.350 -0.046 0.000 0.249 91 T C 0.220 173.925 174.700 -1.658 0.000 0.980 91 T CA -0.862 60.327 62.100 -1.519 0.000 0.920 91 T CB -1.099 67.070 68.868 -1.165 0.000 1.065 91 T HN 0.816 nan 8.240 nan 0.000 0.588 92 N N -0.756 117.338 118.700 -1.011 0.000 2.396 92 N HA 0.576 5.288 4.740 -0.046 0.000 0.275 92 N C -1.912 173.388 175.510 -0.351 0.000 1.218 92 N CA -1.192 51.400 53.050 -0.763 0.000 0.812 92 N CB 1.699 39.839 38.487 -0.579 0.000 1.592 92 N HN 0.184 nan 8.380 nan 0.000 0.480 93 Y N 0.847 120.858 120.300 -0.481 0.000 2.480 93 Y HA 0.432 4.954 4.550 -0.047 0.000 0.329 93 Y C -1.916 173.808 175.900 -0.292 0.000 1.127 93 Y CA -0.786 57.186 58.100 -0.214 0.000 1.037 93 Y CB 1.802 40.285 38.460 0.037 0.000 1.320 93 Y HN 0.462 nan 8.280 nan 0.000 0.446 94 V N 4.919 124.574 119.914 -0.433 0.000 2.347 94 V HA 0.217 4.309 4.120 -0.046 0.000 0.280 94 V C -0.807 175.209 176.094 -0.129 0.000 1.021 94 V CA -0.594 61.585 62.300 -0.201 0.000 0.847 94 V CB 1.302 33.049 31.823 -0.126 0.000 0.990 94 V HN 0.692 nan 8.190 nan 0.000 0.444 95 D N 4.279 124.743 120.400 0.108 0.000 2.441 95 D HA 0.228 4.841 4.640 -0.046 0.000 0.221 95 D C 1.137 177.509 176.300 0.119 0.000 1.156 95 D CA -0.190 53.938 54.000 0.212 0.000 0.896 95 D CB 1.008 42.002 40.800 0.323 0.000 1.028 95 D HN 0.441 nan 8.370 nan 0.000 0.509 96 K N 1.947 122.389 120.400 0.071 0.000 2.152 96 K HA -0.090 4.203 4.320 -0.046 0.000 0.206 96 K C 0.719 177.358 176.600 0.066 0.000 1.048 96 K CA 0.855 57.172 56.287 0.050 0.000 0.933 96 K CB 0.190 32.704 32.500 0.024 0.000 0.721 96 K HN 0.350 nan 8.250 nan 0.000 0.447 97 N N 0.270 119.021 118.700 0.085 0.000 2.230 97 N HA 0.036 4.748 4.740 -0.046 0.000 0.202 97 N C 0.366 175.929 175.510 0.088 0.000 1.119 97 N CA 0.126 53.219 53.050 0.073 0.000 0.851 97 N CB 0.846 39.367 38.487 0.056 0.000 0.990 97 N HN 0.095 nan 8.380 nan 0.000 0.497 98 G N 0.439 109.321 108.800 0.138 0.000 2.539 98 G HA2 0.393 4.325 3.960 -0.046 0.000 0.258 98 G HA3 0.393 4.325 3.960 -0.046 0.000 0.258 98 G C 0.133 175.112 174.900 0.131 0.000 1.202 98 G CA -0.112 45.094 45.100 0.176 0.000 0.851 98 G HN 0.188 nan 8.290 nan 0.000 0.556 99 S N -0.921 114.848 115.700 0.116 0.000 2.704 99 S HA 0.641 5.083 4.470 -0.046 0.000 0.296 99 S C 1.275 175.940 174.600 0.108 0.000 1.138 99 S CA 0.094 58.349 58.200 0.092 0.000 0.875 99 S CB 1.546 64.780 63.200 0.057 0.000 1.151 99 S HN 1.350 nan 8.310 nan 0.000 0.500 100 A N 0.331 123.205 122.820 0.090 0.000 2.076 100 A HA 0.180 4.473 4.320 -0.046 0.000 0.220 100 A C 1.809 179.447 177.584 0.090 0.000 1.160 100 A CA 1.624 53.718 52.037 0.095 0.000 0.653 100 A CB -1.448 17.596 19.000 0.073 0.000 0.801 100 A HN 1.277 nan 8.150 nan 0.000 0.455 101 G N -1.083 107.756 108.800 0.066 0.000 3.088 101 G HA2 0.303 4.235 3.960 -0.046 0.000 0.217 101 G HA3 0.303 4.235 3.960 -0.046 0.000 0.217 101 G C 0.482 175.399 174.900 0.028 0.000 1.159 101 G CA 0.436 45.564 45.100 0.047 0.000 0.760 101 G HN 0.386 nan 8.290 nan 0.000 0.550 102 S N 0.607 116.326 115.700 0.031 0.000 2.576 102 S HA 0.462 4.904 4.470 -0.046 0.000 0.276 102 S C 0.498 175.054 174.600 -0.073 0.000 1.339 102 S CA -0.073 58.083 58.200 -0.074 0.000 1.039 102 S CB 1.239 64.362 63.200 -0.128 0.000 0.902 102 S HN 0.488 nan 8.310 nan 0.000 0.516 103 T N 0.171 114.595 114.554 -0.215 0.000 2.887 103 T HA 0.701 5.023 4.350 -0.046 0.000 0.288 103 T C -1.254 173.241 174.700 -0.342 0.000 1.021 103 T CA -0.653 61.376 62.100 -0.118 0.000 1.000 103 T CB 0.638 69.482 68.868 -0.041 0.000 1.034 103 T HN 0.447 nan 8.240 nan 0.000 0.467 104 Y N 0.589 120.884 120.300 -0.009 0.000 2.485 104 Y HA 0.668 5.190 4.550 -0.046 0.000 0.345 104 Y C 0.815 176.682 175.900 -0.055 0.000 0.998 104 Y CA -0.708 57.371 58.100 -0.034 0.000 1.059 104 Y CB 2.729 41.156 38.460 -0.055 0.000 1.234 104 Y HN 1.066 nan 8.280 nan 0.000 0.461 105 T N -1.210 113.388 114.554 0.073 0.000 2.901 105 T HA 0.834 5.156 4.350 -0.046 0.000 0.293 105 T C -1.434 173.223 174.700 -0.073 0.000 1.084 105 T CA -0.867 61.218 62.100 -0.024 0.000 1.008 105 T CB 1.611 70.428 68.868 -0.084 0.000 1.170 105 T HN 0.357 nan 8.240 nan 0.000 0.509 106 V N 1.148 120.951 119.914 -0.185 0.000 2.735 106 V HA 0.649 4.742 4.120 -0.046 0.000 0.310 106 V C -0.521 175.497 176.094 -0.127 0.000 1.061 106 V CA -1.031 61.093 62.300 -0.292 0.000 0.913 106 V CB 2.075 33.403 31.823 -0.826 0.000 1.005 106 V HN 0.871 nan 8.190 nan 0.000 0.428 107 R N 2.649 123.146 120.500 -0.004 0.000 2.439 107 R HA 0.752 5.064 4.340 -0.046 0.000 0.310 107 R C -0.333 176.045 176.300 0.131 0.000 0.955 107 R CA -0.479 55.643 56.100 0.037 0.000 0.853 107 R CB 2.024 32.318 30.300 -0.010 0.000 1.171 107 R HN 0.824 nan 8.270 nan 0.000 0.449 108 A N 2.632 125.533 122.820 0.134 0.000 2.407 108 A HA 0.363 4.655 4.320 -0.046 0.000 0.248 108 A C 0.007 177.541 177.584 -0.083 0.000 1.082 108 A CA -0.314 51.711 52.037 -0.021 0.000 0.785 108 A CB 0.643 19.654 19.000 0.018 0.000 1.020 108 A HN 0.453 nan 8.150 nan 0.000 0.489 109 V N 3.250 123.051 119.914 -0.187 0.000 2.326 109 V HA 0.365 4.457 4.120 -0.046 0.000 0.281 109 V C -0.438 175.586 176.094 -0.117 0.000 1.015 109 V CA -0.410 61.824 62.300 -0.109 0.000 0.823 109 V CB 1.078 32.850 31.823 -0.085 0.000 1.009 109 V HN 0.589 nan 8.190 nan 0.000 0.436 110 V N 5.404 125.280 119.914 -0.064 0.000 2.384 110 V HA 0.457 4.549 4.120 -0.046 0.000 0.287 110 V C 0.555 176.635 176.094 -0.024 0.000 1.020 110 V CA -0.724 61.552 62.300 -0.040 0.000 0.850 110 V CB 1.355 33.168 31.823 -0.016 0.000 0.987 110 V HN 0.989 nan 8.190 nan 0.000 0.436 111 N N 4.176 122.865 118.700 -0.019 0.000 2.714 111 N HA -0.244 4.468 4.740 -0.046 0.000 0.250 111 N C 1.130 176.632 175.510 -0.013 0.000 1.117 111 N CA 1.564 54.607 53.050 -0.011 0.000 0.719 111 N CB -1.192 37.292 38.487 -0.004 0.000 1.081 111 N HN 1.488 nan 8.380 nan 0.000 0.557 112 G N -1.890 106.898 108.800 -0.020 0.000 2.232 112 G HA2 -0.262 3.670 3.960 -0.046 0.000 0.226 112 G HA3 -0.262 3.670 3.960 -0.046 0.000 0.226 112 G C 0.059 174.950 174.900 -0.014 0.000 0.996 112 G CA 0.852 45.942 45.100 -0.016 0.000 0.626 112 G HN 1.168 nan 8.290 nan 0.000 0.509 113 T N -0.545 114.000 114.554 -0.015 0.000 2.823 113 T HA 0.625 4.948 4.350 -0.046 0.000 0.279 113 T C -0.141 174.551 174.700 -0.014 0.000 0.998 113 T CA 0.151 62.244 62.100 -0.011 0.000 0.994 113 T CB 2.236 71.099 68.868 -0.008 0.000 0.960 113 T HN 0.333 nan 8.240 nan 0.000 0.448 114 E N 2.582 122.778 120.200 -0.007 0.000 2.360 114 E HA 0.145 4.467 4.350 -0.046 0.000 0.269 114 E C -0.013 176.579 176.600 -0.013 0.000 1.022 114 E CA -0.549 55.848 56.400 -0.005 0.000 0.887 114 E CB 0.534 30.242 29.700 0.013 0.000 0.990 114 E HN 0.561 nan 8.360 nan 0.000 0.426 115 Q N 2.980 122.772 119.800 -0.013 0.000 2.180 115 Q HA 0.398 4.710 4.340 -0.046 0.000 0.241 115 Q C -2.249 173.732 176.000 -0.032 0.000 0.970 115 Q CA -2.220 53.575 55.803 -0.013 0.000 0.919 115 Q CB 0.541 29.283 28.738 0.006 0.000 1.222 115 Q HN 0.433 nan 8.270 nan 0.000 0.482 116 P HA 0.007 nan 4.420 nan 0.000 0.268 116 P C -0.868 176.392 177.300 -0.067 0.000 1.208 116 P CA 0.137 63.204 63.100 -0.055 0.000 0.777 116 P CB 0.335 32.014 31.700 -0.035 0.000 0.875 117 A N 2.589 125.342 122.820 -0.112 0.000 2.507 117 A HA 0.317 4.609 4.320 -0.046 0.000 0.235 117 A C 0.878 178.418 177.584 -0.074 0.000 1.070 117 A CA 0.174 52.131 52.037 -0.132 0.000 0.768 117 A CB -0.620 18.269 19.000 -0.184 0.000 1.011 117 A HN 0.642 nan 8.150 nan 0.000 0.502 118 S N 1.458 117.115 115.700 -0.071 0.000 2.606 118 S HA 0.264 4.706 4.470 -0.046 0.000 0.257 118 S C 0.453 175.031 174.600 -0.035 0.000 1.327 118 S CA -0.041 58.133 58.200 -0.042 0.000 0.984 118 S CB 0.224 63.386 63.200 -0.063 0.000 0.941 118 S HN 0.964 nan 8.310 nan 0.000 0.576 119 E N 0.542 120.735 120.200 -0.013 0.000 2.436 119 E HA 0.035 4.357 4.350 -0.046 0.000 0.262 119 E C -0.751 175.848 176.600 -0.001 0.000 1.063 119 E CA 0.081 56.479 56.400 -0.003 0.000 0.944 119 E CB 0.191 29.897 29.700 0.011 0.000 0.950 119 E HN 0.615 nan 8.360 nan 0.000 0.444 120 K N 0.653 121.057 120.400 0.007 0.000 2.218 120 K HA 0.493 4.785 4.320 -0.046 0.000 0.276 120 K C -0.495 176.136 176.600 0.052 0.000 1.022 120 K CA -0.364 55.935 56.287 0.020 0.000 0.946 120 K CB 1.293 33.800 32.500 0.011 0.000 1.000 120 K HN 0.632 nan 8.250 nan 0.000 0.468 121 A N 1.739 124.611 122.820 0.087 0.000 2.330 121 A HA 0.411 4.703 4.320 -0.046 0.000 0.313 121 A C -0.203 177.488 177.584 0.179 0.000 1.124 121 A CA -0.780 51.331 52.037 0.123 0.000 0.774 121 A CB 0.925 19.986 19.000 0.101 0.000 1.198 121 A HN 0.728 nan 8.150 nan 0.000 0.465 122 S N 1.026 116.832 115.700 0.175 0.000 2.655 122 S HA 0.619 5.061 4.470 -0.046 0.000 0.265 122 S C 0.029 174.785 174.600 0.260 0.000 1.240 122 S CA -0.598 57.721 58.200 0.199 0.000 0.986 122 S CB 1.012 64.309 63.200 0.161 0.000 0.985 122 S HN 0.772 nan 8.310 nan 0.000 0.562 123 V N 1.616 121.684 119.914 0.257 0.000 2.432 123 V HA 0.191 4.283 4.120 -0.046 0.000 0.275 123 V C -0.549 175.754 176.094 0.349 0.000 1.043 123 V CA -0.677 61.777 62.300 0.258 0.000 0.925 123 V CB 0.088 32.045 31.823 0.224 0.000 0.985 123 V HN 0.820 nan 8.190 nan 0.000 0.466 124 W N 3.466 124.801 121.300 0.057 0.000 2.368 124 W HA 0.386 5.018 4.660 -0.047 0.000 0.316 124 W C 1.100 177.622 176.519 0.004 0.000 1.375 124 W CA -0.644 56.724 57.345 0.037 0.000 1.261 124 W CB 0.006 29.483 29.460 0.029 0.000 1.298 124 W HN 0.711 nan 8.180 nan 0.000 0.539 125 A N 3.279 126.201 122.820 0.170 0.000 2.167 125 A HA -0.013 4.279 4.320 -0.046 0.000 0.214 125 A C 0.813 178.395 177.584 -0.003 0.000 1.151 125 A CA 0.782 52.861 52.037 0.071 0.000 0.735 125 A CB -0.068 18.951 19.000 0.031 0.000 0.802 125 A HN 0.670 nan 8.150 nan 0.000 0.467 126 Q N -1.712 118.047 119.800 -0.069 0.000 2.458 126 Q HA 0.350 4.662 4.340 -0.046 0.000 0.282 126 Q C -2.237 173.694 176.000 -0.114 0.000 1.106 126 Q CA -2.192 53.463 55.803 -0.247 0.000 0.814 126 Q CB 1.611 29.924 28.738 -0.708 0.000 1.425 126 Q HN -0.051 nan 8.270 nan 0.000 0.437 127 P HA -0.096 nan 4.420 nan 0.000 0.230 127 P C -1.056 176.389 177.300 0.242 0.000 1.158 127 P CA 1.190 64.377 63.100 0.145 0.000 0.769 127 P CB 0.007 31.850 31.700 0.238 0.000 0.807 128 Y N -3.232 117.059 120.300 -0.016 0.000 2.570 128 Y HA 0.717 5.239 4.550 -0.046 0.000 0.345 128 Y C -0.381 175.262 175.900 -0.428 0.000 1.014 128 Y CA -2.192 55.747 58.100 -0.268 0.000 1.063 128 Y CB 0.503 38.389 38.460 -0.956 0.000 1.272 128 Y HN -0.253 nan 8.280 nan 0.000 0.477 129 H N 0.592 119.224 119.070 -0.731 0.000 2.476 129 H HA 0.509 5.037 4.556 -0.047 0.000 0.328 129 H C -0.974 174.171 175.328 -0.305 0.000 1.073 129 H CA -0.436 55.064 56.048 -0.913 0.000 1.229 129 H CB 1.532 30.376 29.762 -1.531 0.000 1.432 129 H HN 0.781 nan 8.280 nan 0.000 0.477 130 S N 4.405 119.682 115.700 -0.704 0.000 2.475 130 S HA 0.340 4.782 4.470 -0.046 0.000 0.281 130 S C -0.847 173.431 174.600 -0.536 0.000 1.198 130 S CA -0.772 57.181 58.200 -0.411 0.000 1.063 130 S CB 0.070 63.161 63.200 -0.182 0.000 0.972 130 S HN 0.489 nan 8.310 nan 0.000 0.486 131 V N 9.020 128.754 119.914 -0.299 0.000 2.304 131 V HA 0.380 4.473 4.120 -0.046 0.000 0.269 131 V C -1.983 173.977 176.094 -0.223 0.000 1.036 131 V CA -1.942 60.228 62.300 -0.216 0.000 0.840 131 V CB 0.839 32.571 31.823 -0.152 0.000 1.036 131 V HN 0.735 nan 8.190 nan 0.000 0.466 132 P HA 0.217 nan 4.420 nan 0.000 0.268 132 P C -0.713 176.487 177.300 -0.167 0.000 1.205 132 P CA 0.064 63.093 63.100 -0.118 0.000 0.771 132 P CB 1.181 32.851 31.700 -0.050 0.000 0.858 133 L N 1.912 123.072 121.223 -0.105 0.000 2.322 133 L HA 0.409 4.721 4.340 -0.046 0.000 0.269 133 L C 0.552 177.524 176.870 0.170 0.000 1.012 133 L CA -0.722 54.089 54.840 -0.048 0.000 0.815 133 L CB 1.393 43.498 42.059 0.076 0.000 1.295 133 L HN 0.251 nan 8.230 nan 0.000 0.438 134 D N 1.983 122.581 120.400 0.330 0.000 2.479 134 D HA 0.085 4.697 4.640 -0.046 0.000 0.218 134 D C -0.157 176.116 176.300 -0.044 0.000 1.131 134 D CA -0.344 53.746 54.000 0.150 0.000 0.916 134 D CB 0.497 41.380 40.800 0.137 0.000 1.022 134 D HN 0.231 nan 8.370 nan 0.000 0.515 135 K N 4.044 124.372 120.400 -0.119 0.000 2.412 135 K HA 0.190 4.482 4.320 -0.046 0.000 0.284 135 K C -2.187 174.102 176.600 -0.518 0.000 1.046 135 K CA -1.295 54.732 56.287 -0.433 0.000 0.999 135 K CB 0.475 32.905 32.500 -0.117 0.000 0.941 135 K HN 0.249 nan 8.250 nan 0.000 0.474 136 P HA 0.004 nan 4.420 nan 0.000 0.268 136 P C -1.098 176.044 177.300 -0.263 0.000 1.205 136 P CA -0.244 62.477 63.100 -0.632 0.000 0.771 136 P CB 1.000 32.039 31.700 -1.101 0.000 0.858 137 A N 3.236 125.965 122.820 -0.151 0.000 2.483 137 A HA 0.458 4.750 4.320 -0.046 0.000 0.238 137 A C 1.129 178.758 177.584 0.075 0.000 1.070 137 A CA 0.396 52.407 52.037 -0.044 0.000 0.770 137 A CB -0.503 18.461 19.000 -0.060 0.000 1.008 137 A HN 0.631 nan 8.150 nan 0.000 0.497 138 G N -0.030 108.776 108.800 0.010 0.000 2.684 138 G HA2 0.529 4.461 3.960 -0.046 0.000 0.255 138 G HA3 0.529 4.461 3.960 -0.046 0.000 0.255 138 G C 0.338 175.054 174.900 -0.307 0.000 1.219 138 G CA 0.197 45.216 45.100 -0.135 0.000 0.901 138 G HN 1.472 nan 8.290 nan 0.000 0.548 139 G N -2.237 106.042 108.800 -0.868 0.000 2.749 139 G HA2 0.590 4.522 3.960 -0.046 0.000 0.300 139 G HA3 0.590 4.522 3.960 -0.046 0.000 0.300 139 G C -1.187 173.168 174.900 -0.908 0.000 1.352 139 G CA 0.172 44.807 45.100 -0.775 0.000 0.789 139 G HN 0.848 nan 8.290 nan 0.000 0.509 140 T N -0.643 113.719 114.554 -0.320 0.000 2.876 140 T HA 0.643 4.965 4.350 -0.046 0.000 0.289 140 T C 0.514 175.310 174.700 0.160 0.000 1.014 140 T CA 0.239 62.296 62.100 -0.071 0.000 0.986 140 T CB 1.137 69.962 68.868 -0.072 0.000 1.021 140 T HN 1.095 nan 8.240 nan 0.000 0.458 141 T N 2.809 117.474 114.554 0.185 0.000 2.816 141 T HA 0.417 4.739 4.350 -0.046 0.000 0.282 141 T C -1.788 172.853 174.700 -0.098 0.000 0.993 141 T CA -1.511 60.631 62.100 0.071 0.000 0.994 141 T CB 0.565 69.456 68.868 0.039 0.000 1.025 141 T HN 0.331 nan 8.240 nan 0.000 0.529 142 P HA -0.022 nan 4.420 nan 0.000 0.223 142 P C 1.066 178.193 177.300 -0.289 0.000 1.144 142 P CA 0.852 63.763 63.100 -0.314 0.000 0.783 142 P CB 0.082 31.479 31.700 -0.506 0.000 0.771 143 K N -1.988 118.236 120.400 -0.293 0.000 2.374 143 K HA 0.250 4.542 4.320 -0.046 0.000 0.196 143 K C 1.299 177.856 176.600 -0.072 0.000 1.023 143 K CA 0.668 56.860 56.287 -0.158 0.000 1.103 143 K CB -0.275 32.161 32.500 -0.107 0.000 0.848 143 K HN 0.165 nan 8.250 nan 0.000 0.528 144 G N 2.107 110.869 108.800 -0.063 0.000 2.141 144 G HA2 -0.270 3.662 3.960 -0.046 0.000 0.242 144 G HA3 -0.270 3.662 3.960 -0.046 0.000 0.242 144 G C -0.152 174.743 174.900 -0.009 0.000 0.982 144 G CA 0.176 45.256 45.100 -0.033 0.000 0.662 144 G HN 0.390 nan 8.290 nan 0.000 0.527 145 E N 1.032 121.243 120.200 0.019 0.000 2.229 145 E HA 0.508 4.830 4.350 -0.046 0.000 0.283 145 E C 0.595 177.242 176.600 0.079 0.000 1.030 145 E CA 0.066 56.498 56.400 0.053 0.000 0.836 145 E CB 0.594 30.343 29.700 0.081 0.000 1.068 145 E HN 0.207 nan 8.360 nan 0.000 0.401 146 S N 3.917 119.629 115.700 0.021 0.000 2.580 146 S HA 0.300 4.742 4.470 -0.046 0.000 0.274 146 S C -1.061 173.555 174.600 0.026 0.000 1.329 146 S CA -0.385 57.781 58.200 -0.057 0.000 1.036 146 S CB 0.187 63.343 63.200 -0.073 0.000 0.919 146 S HN 0.473 nan 8.310 nan 0.000 0.515 147 Y N 0.007 120.259 120.300 -0.080 0.000 2.597 147 Y HA 0.730 5.253 4.550 -0.045 0.000 0.340 147 Y C -0.326 175.472 175.900 -0.170 0.000 1.097 147 Y CA -0.962 57.059 58.100 -0.131 0.000 1.037 147 Y CB 0.784 39.137 38.460 -0.178 0.000 1.305 147 Y HN 0.673 nan 8.280 nan 0.000 0.463 148 T N -1.851 112.681 114.554 -0.037 0.000 2.888 148 T HA 0.671 4.993 4.350 -0.046 0.000 0.288 148 T C -1.662 172.959 174.700 -0.131 0.000 1.063 148 T CA -0.904 61.155 62.100 -0.069 0.000 1.010 148 T CB 1.734 70.602 68.868 -0.001 0.000 1.214 148 T HN 0.614 nan 8.240 nan 0.000 0.533 149 Y N 0.695 121.069 120.300 0.123 0.000 2.409 149 Y HA 0.629 5.150 4.550 -0.047 0.000 0.339 149 Y C 0.705 176.775 175.900 0.284 0.000 1.033 149 Y CA -0.501 57.715 58.100 0.194 0.000 1.094 149 Y CB 2.208 40.714 38.460 0.077 0.000 1.210 149 Y HN 1.010 nan 8.280 nan 0.000 0.456 150 S N 1.057 117.077 115.700 0.533 0.000 2.568 150 S HA 0.883 5.325 4.470 -0.046 0.000 0.293 150 S C -0.733 174.095 174.600 0.382 0.000 1.089 150 S CA -1.094 57.365 58.200 0.431 0.000 0.945 150 S CB 1.616 64.941 63.200 0.209 0.000 1.077 150 S HN 0.884 nan 8.310 nan 0.000 0.485 151 A N 2.325 125.169 122.820 0.039 0.000 2.488 151 A HA 0.436 4.728 4.320 -0.046 0.000 0.249 151 A C 0.509 177.977 177.584 -0.193 0.000 1.083 151 A CA -0.358 51.391 52.037 -0.480 0.000 0.768 151 A CB -0.310 18.369 19.000 -0.534 0.000 1.017 151 A HN 0.929 nan 8.150 nan 0.000 0.496 152 N N 0.347 118.925 118.700 -0.204 0.000 3.464 152 N HA 0.139 4.851 4.740 -0.046 0.000 0.335 152 N C -1.089 174.403 175.510 -0.029 0.000 1.489 152 N CA -0.638 52.384 53.050 -0.048 0.000 0.652 152 N CB 0.706 39.216 38.487 0.038 0.000 2.334 152 N HN 0.628 nan 8.380 nan 0.000 0.560 153 D N 0.926 121.368 120.400 0.070 0.000 2.423 153 D HA 0.365 4.977 4.640 -0.046 0.000 0.238 153 D C -0.424 176.010 176.300 0.222 0.000 1.142 153 D CA 0.343 54.427 54.000 0.139 0.000 0.884 153 D CB 1.024 41.958 40.800 0.225 0.000 1.199 153 D HN 0.532 nan 8.370 nan 0.000 0.438 154 A N 1.056 123.983 122.820 0.177 0.000 2.435 154 A HA 0.683 4.975 4.320 -0.046 0.000 0.296 154 A C -0.280 177.408 177.584 0.174 0.000 1.147 154 A CA -0.544 51.630 52.037 0.229 0.000 0.775 154 A CB 2.080 21.118 19.000 0.064 0.000 1.340 154 A HN 0.400 nan 8.150 nan 0.000 0.427 155 S N -1.699 114.137 115.700 0.226 0.000 2.732 155 S HA 0.809 5.251 4.470 -0.046 0.000 0.293 155 S C -1.095 173.549 174.600 0.073 0.000 1.159 155 S CA 0.168 58.412 58.200 0.074 0.000 0.847 155 S CB 1.499 64.718 63.200 0.031 0.000 1.169 155 S HN 1.962 nan 8.310 nan 0.000 0.501 156 V N -0.685 119.227 119.914 -0.003 0.000 2.962 156 V HA 1.058 5.150 4.120 -0.046 0.000 0.313 156 V C 0.027 176.159 176.094 0.064 0.000 1.099 156 V CA -0.228 62.064 62.300 -0.015 0.000 0.971 156 V CB 1.003 32.661 31.823 -0.275 0.000 1.028 156 V HN 1.223 nan 8.190 nan 0.000 0.430 157 G N 0.702 109.633 108.800 0.219 0.000 2.698 157 G HA2 0.524 4.456 3.960 -0.046 0.000 0.293 157 G HA3 0.524 4.456 3.960 -0.046 0.000 0.293 157 G C -2.179 172.923 174.900 0.338 0.000 1.437 157 G CA -0.480 44.795 45.100 0.291 0.000 0.852 157 G HN 0.871 nan 8.290 nan 0.000 0.499 158 D N 0.976 121.520 120.400 0.241 0.000 2.456 158 D HA 0.273 4.885 4.640 -0.046 0.000 0.219 158 D C 1.623 177.987 176.300 0.107 0.000 1.126 158 D CA -0.261 53.804 54.000 0.107 0.000 0.890 158 D CB 1.273 42.047 40.800 -0.043 0.000 1.025 158 D HN 0.424 nan 8.370 nan 0.000 0.511 159 V N 1.435 121.429 119.914 0.133 0.000 3.129 159 V HA 0.040 4.132 4.120 -0.046 0.000 0.259 159 V C 0.903 177.069 176.094 0.120 0.000 1.116 159 V CA 1.368 63.758 62.300 0.151 0.000 1.127 159 V CB -0.209 31.739 31.823 0.209 0.000 0.742 159 V HN 0.465 nan 8.190 nan 0.000 0.474 160 D N -0.381 120.074 120.400 0.091 0.000 2.469 160 D HA 0.259 4.871 4.640 -0.046 0.000 0.213 160 D C 1.586 177.917 176.300 0.052 0.000 1.135 160 D CA 0.514 54.558 54.000 0.073 0.000 0.834 160 D CB 0.268 41.109 40.800 0.069 0.000 1.009 160 D HN 0.863 nan 8.370 nan 0.000 0.507 161 G N 2.084 110.908 108.800 0.040 0.000 2.136 161 G HA2 -0.285 3.647 3.960 -0.046 0.000 0.242 161 G HA3 -0.285 3.647 3.960 -0.046 0.000 0.242 161 G C 0.469 175.375 174.900 0.011 0.000 0.989 161 G CA 0.473 45.588 45.100 0.025 0.000 0.682 161 G HN 0.521 nan 8.290 nan 0.000 0.522 162 D N -0.296 120.106 120.400 0.004 0.000 2.339 162 D HA 0.354 4.967 4.640 -0.046 0.000 0.217 162 D C 1.793 178.078 176.300 -0.025 0.000 1.050 162 D CA 0.617 54.617 54.000 -0.001 0.000 0.856 162 D CB -0.516 40.290 40.800 0.010 0.000 0.922 162 D HN 1.565 nan 8.370 nan 0.000 0.518 163 G N 0.258 109.020 108.800 -0.064 0.000 2.176 163 G HA2 -0.303 3.629 3.960 -0.046 0.000 0.253 163 G HA3 -0.303 3.629 3.960 -0.046 0.000 0.253 163 G C -0.023 174.764 174.900 -0.188 0.000 0.979 163 G CA 0.271 45.300 45.100 -0.118 0.000 0.641 163 G HN 0.630 nan 8.290 nan 0.000 0.530 164 Q N -0.166 119.547 119.800 -0.146 0.000 2.316 164 Q HA 0.618 4.930 4.340 -0.046 0.000 0.264 164 Q C -0.540 175.393 176.000 -0.110 0.000 0.987 164 Q CA -1.069 54.663 55.803 -0.118 0.000 0.852 164 Q CB 0.908 29.641 28.738 -0.007 0.000 1.287 164 Q HN 0.235 nan 8.270 nan 0.000 0.448 165 Y N 1.986 122.324 120.300 0.063 0.000 2.411 165 Y HA 0.090 4.613 4.550 -0.046 0.000 0.333 165 Y C 0.223 176.165 175.900 0.070 0.000 1.186 165 Y CA 0.112 58.251 58.100 0.066 0.000 1.381 165 Y CB 0.675 39.178 38.460 0.070 0.000 1.273 165 Y HN 0.607 nan 8.280 nan 0.000 0.546 166 E N 1.882 122.232 120.200 0.251 0.000 2.283 166 E HA 0.447 4.769 4.350 -0.046 0.000 0.267 166 E C -1.076 175.620 176.600 0.160 0.000 1.045 166 E CA -0.554 55.947 56.400 0.168 0.000 0.884 166 E CB 0.750 30.518 29.700 0.113 0.000 1.106 166 E HN 0.446 nan 8.360 nan 0.000 0.408 167 L N 2.575 123.871 121.223 0.122 0.000 2.289 167 L HA 0.363 4.675 4.340 -0.046 0.000 0.285 167 L C -0.607 176.302 176.870 0.064 0.000 1.049 167 L CA -0.647 54.252 54.840 0.098 0.000 0.804 167 L CB 0.677 42.787 42.059 0.085 0.000 1.195 167 L HN 0.291 nan 8.230 nan 0.000 0.428 168 I N 5.069 125.689 120.570 0.083 0.000 2.328 168 I HA 0.310 4.452 4.170 -0.046 0.000 0.287 168 I C -0.377 175.773 176.117 0.054 0.000 1.012 168 I CA -0.487 60.839 61.300 0.044 0.000 1.195 168 I CB 1.378 39.500 38.000 0.202 0.000 1.350 168 I HN 0.347 nan 8.210 nan 0.000 0.464 169 L N 7.309 128.475 121.223 -0.094 0.000 2.322 169 L HA 0.480 4.792 4.340 -0.046 0.000 0.281 169 L C -0.117 176.559 176.870 -0.324 0.000 1.014 169 L CA -0.343 54.390 54.840 -0.178 0.000 0.815 169 L CB 1.340 43.254 42.059 -0.241 0.000 1.247 169 L HN 0.515 nan 8.230 nan 0.000 0.421 170 K N 4.352 124.563 120.400 -0.315 0.000 2.227 170 K HA 0.296 4.588 4.320 -0.046 0.000 0.280 170 K C -1.452 175.033 176.600 -0.192 0.000 1.041 170 K CA -0.395 55.737 56.287 -0.258 0.000 0.905 170 K CB 0.580 32.991 32.500 -0.149 0.000 1.068 170 K HN 0.610 nan 8.250 nan 0.000 0.470 171 W N 2.585 123.883 121.300 -0.004 0.000 2.376 171 W HA 0.205 4.837 4.660 -0.047 0.000 0.322 171 W C -0.197 176.439 176.519 0.194 0.000 1.160 171 W CA -0.259 57.140 57.345 0.090 0.000 1.218 171 W CB 1.149 30.609 29.460 0.000 0.000 1.205 171 W HN 0.553 nan 8.180 nan 0.000 0.559 172 D N 3.520 124.219 120.400 0.499 0.000 2.391 172 D HA 0.367 4.979 4.640 -0.046 0.000 0.245 172 D C -2.408 174.054 176.300 0.269 0.000 1.069 172 D CA -2.121 52.074 54.000 0.326 0.000 0.831 172 D CB 1.863 42.774 40.800 0.186 0.000 1.204 172 D HN -0.123 nan 8.370 nan 0.000 0.503 173 P HA 0.080 nan 4.420 nan 0.000 0.274 173 P C 0.462 177.679 177.300 -0.139 0.000 1.231 173 P CA -0.334 62.552 63.100 -0.357 0.000 0.790 173 P CB 1.143 32.506 31.700 -0.560 0.000 0.951 174 S N 0.656 116.300 115.700 -0.093 0.000 2.547 174 S HA -0.126 4.316 4.470 -0.046 0.000 0.235 174 S C 0.964 175.559 174.600 -0.008 0.000 0.980 174 S CA 0.591 58.786 58.200 -0.009 0.000 0.941 174 S CB -1.121 62.093 63.200 0.023 0.000 0.763 174 S HN 0.595 nan 8.310 nan 0.000 0.532 175 N N 1.581 120.246 118.700 -0.058 0.000 2.275 175 N HA 0.098 4.810 4.740 -0.046 0.000 0.236 175 N C -0.045 175.428 175.510 -0.061 0.000 1.154 175 N CA 0.066 53.087 53.050 -0.048 0.000 0.866 175 N CB -0.276 38.184 38.487 -0.045 0.000 1.093 175 N HN 0.400 nan 8.380 nan 0.000 0.515 176 S N 0.333 116.004 115.700 -0.048 0.000 2.566 176 S HA 0.195 4.637 4.470 -0.046 0.000 0.280 176 S C 0.053 174.679 174.600 0.044 0.000 1.343 176 S CA -0.191 58.005 58.200 -0.006 0.000 1.036 176 S CB 1.062 64.283 63.200 0.035 0.000 0.866 176 S HN 0.124 nan 8.310 nan 0.000 0.526 177 K N 1.284 121.737 120.400 0.089 0.000 2.422 177 K HA 0.365 4.658 4.320 -0.046 0.000 0.251 177 K C -0.902 175.843 176.600 0.242 0.000 0.933 177 K CA -0.622 55.746 56.287 0.135 0.000 0.798 177 K CB 1.987 34.549 32.500 0.103 0.000 1.238 177 K HN 0.854 nan 8.250 nan 0.000 0.428 178 D N 0.525 121.053 120.400 0.214 0.000 2.362 178 D HA 0.036 4.648 4.640 -0.046 0.000 0.242 178 D C 0.819 177.274 176.300 0.258 0.000 1.132 178 D CA 0.142 54.298 54.000 0.260 0.000 0.907 178 D CB 0.790 41.721 40.800 0.219 0.000 1.195 178 D HN 0.317 nan 8.370 nan 0.000 0.429 179 N N 0.191 119.021 118.700 0.218 0.000 2.364 179 N HA -0.149 4.563 4.740 -0.046 0.000 0.183 179 N C 1.411 177.019 175.510 0.164 0.000 1.022 179 N CA 1.124 54.258 53.050 0.141 0.000 0.883 179 N CB -0.119 38.330 38.487 -0.063 0.000 0.965 179 N HN 0.422 nan 8.380 nan 0.000 0.438 180 S N -0.921 114.881 115.700 0.169 0.000 2.522 180 S HA 0.024 4.466 4.470 -0.046 0.000 0.227 180 S C 0.504 175.209 174.600 0.175 0.000 0.986 180 S CA 0.139 58.468 58.200 0.214 0.000 0.929 180 S CB -0.018 63.261 63.200 0.132 0.000 0.769 180 S HN 0.245 nan 8.310 nan 0.000 0.529 181 Q N 1.616 121.507 119.800 0.151 0.000 2.293 181 Q HA 0.439 4.751 4.340 -0.046 0.000 0.261 181 Q C -1.332 174.724 176.000 0.093 0.000 0.960 181 Q CA -0.819 55.044 55.803 0.099 0.000 0.882 181 Q CB 1.229 30.021 28.738 0.090 0.000 1.275 181 Q HN 0.264 nan 8.270 nan 0.000 0.445 182 D N 0.993 121.427 120.400 0.055 0.000 2.313 182 D HA 0.598 5.210 4.640 -0.046 0.000 0.247 182 D C 0.206 176.514 176.300 0.013 0.000 1.094 182 D CA 0.339 54.356 54.000 0.028 0.000 0.925 182 D CB 1.422 42.230 40.800 0.014 0.000 1.188 182 D HN 0.736 nan 8.370 nan 0.000 0.430 183 G N -0.033 108.747 108.800 -0.033 0.000 2.326 183 G HA2 0.053 3.985 3.960 -0.046 0.000 0.478 183 G HA3 0.053 3.985 3.960 -0.046 0.000 0.478 183 G C -1.552 173.310 174.900 -0.063 0.000 1.551 183 G CA -1.088 44.013 45.100 0.002 0.000 0.946 183 G HN 0.250 nan 8.290 nan 0.000 0.671 184 Y N 0.759 121.042 120.300 -0.027 0.000 2.397 184 Y HA 0.526 5.050 4.550 -0.044 0.000 0.335 184 Y C 1.604 177.441 175.900 -0.105 0.000 1.213 184 Y CA 1.005 59.072 58.100 -0.055 0.000 1.391 184 Y CB 1.485 39.926 38.460 -0.033 0.000 1.293 184 Y HN 0.756 nan 8.280 nan 0.000 0.557 185 T N -0.592 113.953 114.554 -0.015 0.000 2.908 185 T HA 0.704 5.027 4.350 -0.046 0.000 0.290 185 T C 0.271 174.792 174.700 -0.297 0.000 1.034 185 T CA -0.834 61.162 62.100 -0.173 0.000 1.010 185 T CB 1.469 70.233 68.868 -0.175 0.000 1.068 185 T HN 0.843 nan 8.240 nan 0.000 0.481 186 G N 0.932 109.317 108.800 -0.693 0.000 2.667 186 G HA2 0.385 4.317 3.960 -0.046 0.000 0.250 186 G HA3 0.385 4.317 3.960 -0.046 0.000 0.250 186 G C -0.413 174.367 174.900 -0.200 0.000 1.212 186 G CA -0.582 44.022 45.100 -0.827 0.000 0.874 186 G HN 0.808 nan 8.290 nan 0.000 0.561 187 D N -0.885 119.549 120.400 0.056 0.000 2.423 187 D HA 0.171 4.783 4.640 -0.046 0.000 0.238 187 D C 0.407 176.823 176.300 0.194 0.000 1.142 187 D CA 0.142 54.214 54.000 0.120 0.000 0.884 187 D CB 1.486 42.371 40.800 0.142 0.000 1.199 187 D HN 0.002 nan 8.370 nan 0.000 0.438 188 V N 3.100 123.080 119.914 0.110 0.000 2.432 188 V HA 0.276 4.368 4.120 -0.046 0.000 0.275 188 V C 0.397 176.534 176.094 0.071 0.000 1.043 188 V CA -0.547 61.829 62.300 0.127 0.000 0.925 188 V CB 0.782 32.650 31.823 0.074 0.000 0.985 188 V HN 0.252 nan 8.190 nan 0.000 0.466 189 L N 5.846 127.120 121.223 0.084 0.000 2.346 189 L HA 0.639 4.951 4.340 -0.046 0.000 0.276 189 L C -0.791 176.154 176.870 0.124 0.000 1.006 189 L CA -0.596 54.269 54.840 0.042 0.000 0.817 189 L CB 1.942 43.933 42.059 -0.114 0.000 1.272 189 L HN 0.370 nan 8.230 nan 0.000 0.421 190 I N 1.813 122.415 120.570 0.053 0.000 2.418 190 I HA 0.421 4.563 4.170 -0.046 0.000 0.287 190 I C -0.868 175.276 176.117 0.044 0.000 1.008 190 I CA -0.403 60.885 61.300 -0.020 0.000 1.104 190 I CB 1.689 39.621 38.000 -0.114 0.000 1.264 190 I HN 0.500 nan 8.210 nan 0.000 0.438 191 D N 4.187 124.532 120.400 -0.091 0.000 2.350 191 D HA 0.737 5.349 4.640 -0.046 0.000 0.238 191 D C -0.334 175.472 176.300 -0.824 0.000 0.989 191 D CA -0.272 53.501 54.000 -0.378 0.000 0.921 191 D CB 2.548 43.303 40.800 -0.075 0.000 1.297 191 D HN 0.615 nan 8.370 nan 0.000 0.490 192 A N 1.365 123.330 122.820 -1.426 0.000 2.331 192 A HA 0.658 4.950 4.320 -0.046 0.000 0.320 192 A C -1.550 175.502 177.584 -0.888 0.000 1.138 192 A CA -0.546 50.803 52.037 -1.147 0.000 0.790 192 A CB 0.490 18.529 19.000 -1.601 0.000 1.206 192 A HN 0.487 nan 8.150 nan 0.000 0.470 193 Y N 1.359 121.493 120.300 -0.276 0.000 2.425 193 Y HA 0.399 4.921 4.550 -0.047 0.000 0.344 193 Y C 0.533 176.394 175.900 -0.064 0.000 0.969 193 Y CA -0.585 57.432 58.100 -0.139 0.000 1.052 193 Y CB 2.091 40.501 38.460 -0.085 0.000 1.215 193 Y HN 0.632 nan 8.280 nan 0.000 0.451 194 K N 2.577 123.048 120.400 0.117 0.000 2.168 194 K HA 0.245 4.538 4.320 -0.046 0.000 0.258 194 K C 0.729 177.418 176.600 0.148 0.000 1.010 194 K CA -0.405 55.950 56.287 0.114 0.000 0.929 194 K CB 0.760 33.311 32.500 0.084 0.000 0.998 194 K HN 0.708 nan 8.250 nan 0.000 0.479 195 L N 1.281 122.585 121.223 0.134 0.000 2.265 195 L HA -0.186 4.127 4.340 -0.046 0.000 0.215 195 L C 1.602 178.607 176.870 0.225 0.000 1.117 195 L CA 1.028 55.963 54.840 0.158 0.000 0.782 195 L CB -0.600 41.521 42.059 0.104 0.000 0.914 195 L HN 0.740 nan 8.230 nan 0.000 0.441 196 D N -0.340 120.156 120.400 0.160 0.000 2.363 196 D HA -0.005 4.607 4.640 -0.046 0.000 0.226 196 D C 1.465 177.837 176.300 0.119 0.000 1.020 196 D CA 0.868 54.961 54.000 0.155 0.000 0.892 196 D CB 0.194 41.056 40.800 0.102 0.000 0.900 196 D HN 0.282 nan 8.370 nan 0.000 0.531 197 G N -0.699 108.178 108.800 0.128 0.000 2.194 197 G HA2 -0.249 3.683 3.960 -0.046 0.000 0.236 197 G HA3 -0.249 3.683 3.960 -0.046 0.000 0.236 197 G C 0.378 175.394 174.900 0.194 0.000 0.987 197 G CA 0.114 45.289 45.100 0.126 0.000 0.635 197 G HN 0.424 nan 8.290 nan 0.000 0.520 198 T N 1.840 116.479 114.554 0.141 0.000 2.793 198 T HA 0.317 4.640 4.350 -0.046 0.000 0.289 198 T C 0.506 175.242 174.700 0.059 0.000 0.956 198 T CA 0.698 62.854 62.100 0.093 0.000 1.177 198 T CB 1.130 70.031 68.868 0.055 0.000 0.897 198 T HN 0.457 nan 8.240 nan 0.000 0.533 199 K N 4.359 124.754 120.400 -0.008 0.000 2.310 199 K HA 0.219 4.511 4.320 -0.046 0.000 0.290 199 K C 0.830 177.275 176.600 -0.258 0.000 1.077 199 K CA -0.432 55.668 56.287 -0.312 0.000 0.922 199 K CB 0.241 32.599 32.500 -0.236 0.000 1.057 199 K HN 0.575 nan 8.250 nan 0.000 0.479 200 L N 4.666 125.664 121.223 -0.374 0.000 2.131 200 L HA 0.123 4.435 4.340 -0.046 0.000 0.206 200 L C 0.559 177.418 176.870 -0.019 0.000 1.087 200 L CA 0.357 55.085 54.840 -0.187 0.000 0.767 200 L CB -0.225 41.720 42.059 -0.190 0.000 0.917 200 L HN 0.716 nan 8.230 nan 0.000 0.441 201 W N -1.471 119.723 121.300 -0.178 0.000 3.002 201 W HA 0.453 5.085 4.660 -0.047 0.000 0.346 201 W C -1.528 174.882 176.519 -0.180 0.000 1.158 201 W CA -1.039 56.218 57.345 -0.148 0.000 1.150 201 W CB 1.238 30.632 29.460 -0.111 0.000 1.446 201 W HN -0.308 nan 8.180 nan 0.000 0.564 202 R N 1.562 122.247 120.500 0.309 0.000 2.575 202 R HA 0.697 5.009 4.340 -0.046 0.000 0.293 202 R C -1.648 174.773 176.300 0.201 0.000 0.983 202 R CA -0.644 55.582 56.100 0.211 0.000 0.887 202 R CB 1.948 32.262 30.300 0.024 0.000 1.184 202 R HN 0.556 nan 8.270 nan 0.000 0.445 203 I N 3.336 124.002 120.570 0.160 0.000 2.377 203 I HA 0.251 4.393 4.170 -0.046 0.000 0.293 203 I C -0.374 175.710 176.117 -0.055 0.000 0.987 203 I CA -0.906 60.343 61.300 -0.085 0.000 1.185 203 I CB 1.755 39.535 38.000 -0.367 0.000 1.341 203 I HN 0.528 nan 8.210 nan 0.000 0.455 204 N N 6.683 125.352 118.700 -0.051 0.000 2.469 204 N HA 0.289 5.001 4.740 -0.046 0.000 0.253 204 N C 0.418 175.924 175.510 -0.008 0.000 0.970 204 N CA -0.238 52.797 53.050 -0.026 0.000 0.940 204 N CB 1.424 39.901 38.487 -0.017 0.000 1.128 204 N HN 0.600 nan 8.380 nan 0.000 0.503 205 L N 2.541 123.763 121.223 -0.001 0.000 2.275 205 L HA 0.140 4.452 4.340 -0.046 0.000 0.215 205 L C 1.363 178.253 176.870 0.033 0.000 1.119 205 L CA 0.755 55.606 54.840 0.019 0.000 0.790 205 L CB -0.767 41.298 42.059 0.010 0.000 0.919 205 L HN 0.825 nan 8.230 nan 0.000 0.443 206 G N 0.533 109.352 108.800 0.031 0.000 2.757 206 G HA2 -0.287 3.645 3.960 -0.046 0.000 0.638 206 G HA3 -0.287 3.645 3.960 -0.046 0.000 0.638 206 G C 0.460 175.379 174.900 0.031 0.000 1.344 206 G CA 0.031 45.155 45.100 0.039 0.000 0.855 206 G HN 0.347 nan 8.290 nan 0.000 0.537 207 K N -0.629 119.794 120.400 0.039 0.000 2.362 207 K HA -0.008 4.285 4.320 -0.046 0.000 0.200 207 K C 1.433 178.047 176.600 0.024 0.000 1.046 207 K CA 1.845 58.154 56.287 0.037 0.000 0.952 207 K CB -0.103 32.426 32.500 0.050 0.000 0.753 207 K HN 0.419 nan 8.250 nan 0.000 0.466 208 N N 0.433 119.152 118.700 0.031 0.000 2.322 208 N HA 0.120 4.832 4.740 -0.046 0.000 0.194 208 N C -0.817 174.673 175.510 -0.033 0.000 1.126 208 N CA -0.088 52.980 53.050 0.030 0.000 0.845 208 N CB 0.441 38.985 38.487 0.096 0.000 0.976 208 N HN 0.090 nan 8.380 nan 0.000 0.475 209 I N 1.408 121.946 120.570 -0.053 0.000 2.390 209 I HA 0.217 4.359 4.170 -0.046 0.000 0.283 209 I C 0.195 176.218 176.117 -0.157 0.000 1.016 209 I CA -0.546 60.695 61.300 -0.098 0.000 1.151 209 I CB 1.120 39.083 38.000 -0.061 0.000 1.293 209 I HN 0.044 nan 8.210 nan 0.000 0.458 210 R N 3.708 124.018 120.500 -0.316 0.000 2.643 210 R HA 0.489 4.801 4.340 -0.046 0.000 0.270 210 R C -0.017 176.012 176.300 -0.452 0.000 1.061 210 R CA -0.214 55.581 56.100 -0.508 0.000 1.107 210 R CB 0.929 30.657 30.300 -0.954 0.000 0.999 210 R HN 0.745 nan 8.270 nan 0.000 0.460 211 A N 2.067 124.723 122.820 -0.274 0.000 2.309 211 A HA 0.650 4.942 4.320 -0.046 0.000 0.298 211 A C -0.129 177.477 177.584 0.035 0.000 1.165 211 A CA 0.291 52.283 52.037 -0.074 0.000 0.821 211 A CB 1.164 20.139 19.000 -0.042 0.000 1.102 211 A HN 0.889 nan 8.150 nan 0.000 0.500 212 G N -0.986 107.947 108.800 0.222 0.000 2.347 212 G HA2 0.559 4.491 3.960 -0.046 0.000 0.303 212 G HA3 0.559 4.491 3.960 -0.046 0.000 0.303 212 G C 0.418 175.463 174.900 0.242 0.000 1.481 212 G CA -0.056 45.231 45.100 0.312 0.000 0.914 212 G HN 1.573 nan 8.290 nan 0.000 0.638 213 A N -0.219 122.624 122.820 0.039 0.000 1.978 213 A HA -0.044 4.248 4.320 -0.046 0.000 0.220 213 A C 1.579 178.974 177.584 -0.314 0.000 1.170 213 A CA 2.235 54.162 52.037 -0.183 0.000 0.636 213 A CB -0.565 18.223 19.000 -0.353 0.000 0.810 213 A HN 0.736 nan 8.150 nan 0.000 0.448 214 H N -2.938 116.131 119.070 -0.001 0.000 2.551 214 H HA 0.183 4.713 4.556 -0.043 0.000 0.271 214 H C 0.824 176.083 175.328 -0.113 0.000 0.984 214 H CA 0.224 56.198 56.048 -0.122 0.000 1.164 214 H CB -0.000 29.610 29.762 -0.252 0.000 1.437 214 H HN 0.647 nan 8.280 nan 0.000 0.550 215 Y N 1.577 122.009 120.300 0.219 0.000 2.612 215 Y HA 0.039 4.563 4.550 -0.044 0.000 0.230 215 Y C 1.477 177.405 175.900 0.046 0.000 0.993 215 Y CA 0.329 58.538 58.100 0.181 0.000 1.082 215 Y CB -0.563 37.947 38.460 0.084 0.000 1.037 215 Y HN -0.192 nan 8.280 nan 0.000 0.471 216 T N 3.879 118.556 114.554 0.205 0.000 2.853 216 T HA 0.121 4.443 4.350 -0.046 0.000 0.298 216 T C -0.588 174.245 174.700 0.221 0.000 0.978 216 T CA -0.247 61.932 62.100 0.132 0.000 1.152 216 T CB 0.011 68.965 68.868 0.143 0.000 0.914 216 T HN 0.105 nan 8.240 nan 0.000 0.539 217 Q N 3.590 123.509 119.800 0.197 0.000 2.320 217 Q HA 0.355 4.667 4.340 -0.046 0.000 0.268 217 Q C -0.745 175.399 176.000 0.241 0.000 1.023 217 Q CA -0.555 55.372 55.803 0.206 0.000 0.744 217 Q CB 1.250 30.093 28.738 0.175 0.000 1.246 217 Q HN 0.776 nan 8.270 nan 0.000 0.462 218 F N 0.247 120.266 119.950 0.114 0.000 2.436 218 F HA 0.728 5.227 4.527 -0.046 0.000 0.340 218 F C -0.298 175.584 175.800 0.136 0.000 1.113 218 F CA -1.093 56.979 58.000 0.120 0.000 1.022 218 F CB 1.109 40.178 39.000 0.115 0.000 1.128 218 F HN 0.132 nan 8.300 nan 0.000 0.466 219 M N 4.992 124.718 119.600 0.211 0.000 2.205 219 M HA 0.438 4.890 4.480 -0.046 0.000 0.344 219 M C -1.059 175.382 176.300 0.235 0.000 1.085 219 M CA -0.794 54.596 55.300 0.150 0.000 1.001 219 M CB 1.724 34.404 32.600 0.132 0.000 1.626 219 M HN 0.575 nan 8.290 nan 0.000 0.442 220 V N 5.227 125.283 119.914 0.236 0.000 2.378 220 V HA 0.570 4.662 4.120 -0.046 0.000 0.288 220 V C -1.248 175.052 176.094 0.343 0.000 1.016 220 V CA -0.631 61.837 62.300 0.281 0.000 0.840 220 V CB 1.452 33.435 31.823 0.267 0.000 0.994 220 V HN 0.832 nan 8.190 nan 0.000 0.431 221 Y N 2.030 122.421 120.300 0.150 0.000 2.638 221 Y HA 0.292 4.816 4.550 -0.044 0.000 0.334 221 Y C -0.732 175.258 175.900 0.150 0.000 1.182 221 Y CA -1.098 57.090 58.100 0.147 0.000 1.102 221 Y CB 1.684 40.220 38.460 0.126 0.000 1.343 221 Y HN 0.670 nan 8.280 nan 0.000 0.463 222 D N 3.896 124.284 120.400 -0.020 0.000 2.470 222 D HA 0.173 4.785 4.640 -0.046 0.000 0.226 222 D C 0.593 177.063 176.300 0.283 0.000 1.196 222 D CA 0.556 54.624 54.000 0.114 0.000 0.979 222 D CB 0.235 41.040 40.800 0.008 0.000 1.059 222 D HN 0.666 nan 8.370 nan 0.000 0.515 223 L N 1.856 123.278 121.223 0.332 0.000 2.109 223 L HA -0.087 4.225 4.340 -0.046 0.000 0.207 223 L C 1.722 178.723 176.870 0.219 0.000 1.086 223 L CA 1.050 56.076 54.840 0.310 0.000 0.760 223 L CB -0.061 42.207 42.059 0.348 0.000 0.910 223 L HN 0.368 nan 8.230 nan 0.000 0.437 224 D N -1.174 119.355 120.400 0.215 0.000 2.360 224 D HA 0.043 4.656 4.640 -0.046 0.000 0.210 224 D C 1.338 177.675 176.300 0.062 0.000 1.047 224 D CA 0.710 54.746 54.000 0.060 0.000 0.854 224 D CB 0.157 40.906 40.800 -0.085 0.000 0.936 224 D HN 0.166 nan 8.370 nan 0.000 0.514 225 G N 1.828 110.691 108.800 0.105 0.000 2.171 225 G HA2 -0.256 3.677 3.960 -0.046 0.000 0.238 225 G HA3 -0.256 3.677 3.960 -0.046 0.000 0.238 225 G C 0.388 175.345 174.900 0.095 0.000 1.039 225 G CA 0.406 45.570 45.100 0.107 0.000 0.759 225 G HN 0.535 nan 8.290 nan 0.000 0.501 226 D N -0.712 119.738 120.400 0.084 0.000 2.349 226 D HA 0.356 4.968 4.640 -0.046 0.000 0.214 226 D C 1.751 178.092 176.300 0.069 0.000 1.063 226 D CA 0.640 54.683 54.000 0.071 0.000 0.847 226 D CB -0.331 40.508 40.800 0.064 0.000 0.933 226 D HN 1.555 nan 8.370 nan 0.000 0.513 227 G N 0.184 109.026 108.800 0.069 0.000 2.176 227 G HA2 -0.237 3.695 3.960 -0.046 0.000 0.232 227 G HA3 -0.237 3.695 3.960 -0.046 0.000 0.232 227 G C 0.061 174.992 174.900 0.051 0.000 0.986 227 G CA -0.022 45.110 45.100 0.054 0.000 0.643 227 G HN 0.440 nan 8.290 nan 0.000 0.522 228 K N 0.452 120.894 120.400 0.071 0.000 2.324 228 K HA 0.740 5.032 4.320 -0.046 0.000 0.253 228 K C 0.251 176.913 176.600 0.104 0.000 0.932 228 K CA -0.155 56.183 56.287 0.084 0.000 0.799 228 K CB 2.200 34.756 32.500 0.094 0.000 1.154 228 K HN 0.482 nan 8.250 nan 0.000 0.425 229 A N 2.839 125.726 122.820 0.111 0.000 2.388 229 A HA 0.205 4.497 4.320 -0.046 0.000 0.257 229 A C -0.040 177.645 177.584 0.168 0.000 1.095 229 A CA -0.280 51.837 52.037 0.133 0.000 0.791 229 A CB 0.288 19.375 19.000 0.145 0.000 1.029 229 A HN 0.736 nan 8.150 nan 0.000 0.489 230 E N 0.924 121.228 120.200 0.174 0.000 2.281 230 E HA 0.654 4.976 4.350 -0.046 0.000 0.257 230 E C -1.299 175.412 176.600 0.183 0.000 0.971 230 E CA -0.897 55.591 56.400 0.146 0.000 0.839 230 E CB 1.130 30.857 29.700 0.045 0.000 1.238 230 E HN 0.235 nan 8.360 nan 0.000 0.412 231 V N -0.097 119.925 119.914 0.181 0.000 2.487 231 V HA 0.662 4.754 4.120 -0.046 0.000 0.298 231 V C -0.576 175.662 176.094 0.240 0.000 1.028 231 V CA -0.776 61.679 62.300 0.258 0.000 0.860 231 V CB 1.220 33.233 31.823 0.316 0.000 0.991 231 V HN 0.856 nan 8.190 nan 0.000 0.427 232 A N 7.050 129.993 122.820 0.205 0.000 2.355 232 A HA 1.052 5.344 4.320 -0.046 0.000 0.317 232 A C -0.571 177.130 177.584 0.195 0.000 1.094 232 A CA -0.563 51.549 52.037 0.124 0.000 0.764 232 A CB 1.700 20.703 19.000 0.005 0.000 1.230 232 A HN 1.172 nan 8.150 nan 0.000 0.448 233 M N 0.524 120.237 119.600 0.188 0.000 2.833 233 M HA 0.532 4.984 4.480 -0.046 0.000 0.270 233 M C -1.070 175.310 176.300 0.133 0.000 1.209 233 M CA -0.806 54.607 55.300 0.187 0.000 0.826 233 M CB 1.427 34.168 32.600 0.235 0.000 1.657 233 M HN 0.487 nan 8.290 nan 0.000 0.492 234 K N 1.787 122.212 120.400 0.042 0.000 2.368 234 K HA 0.483 4.775 4.320 -0.046 0.000 0.282 234 K C -0.647 175.917 176.600 -0.059 0.000 1.035 234 K CA 0.447 56.666 56.287 -0.114 0.000 0.973 234 K CB 0.753 32.884 32.500 -0.615 0.000 0.957 234 K HN 0.814 nan 8.250 nan 0.000 0.474 235 T N -0.047 114.510 114.554 0.005 0.000 2.831 235 T HA 0.865 5.187 4.350 -0.046 0.000 0.287 235 T C -0.908 173.828 174.700 0.061 0.000 1.070 235 T CA -0.920 61.234 62.100 0.090 0.000 1.010 235 T CB 1.777 70.770 68.868 0.208 0.000 1.264 235 T HN 0.625 nan 8.240 nan 0.000 0.532 236 A N -0.111 122.791 122.820 0.136 0.000 2.588 236 A HA 0.664 4.956 4.320 -0.046 0.000 0.290 236 A C -1.412 176.325 177.584 0.256 0.000 1.136 236 A CA -0.925 51.135 52.037 0.039 0.000 0.681 236 A CB 0.633 19.606 19.000 -0.045 0.000 1.282 236 A HN 0.839 nan 8.150 nan 0.000 0.421 237 D N 0.316 120.864 120.400 0.247 0.000 2.533 237 D HA 0.356 4.968 4.640 -0.046 0.000 0.236 237 D C 1.300 177.707 176.300 0.178 0.000 1.137 237 D CA 2.422 56.601 54.000 0.298 0.000 0.867 237 D CB 0.702 41.678 40.800 0.294 0.000 1.170 237 D HN 1.560 nan 8.370 nan 0.000 0.474 238 G N 2.227 111.113 108.800 0.143 0.000 2.217 238 G HA2 -0.274 3.658 3.960 -0.046 0.000 0.246 238 G HA3 -0.274 3.658 3.960 -0.046 0.000 0.246 238 G C 0.637 175.588 174.900 0.086 0.000 0.990 238 G CA 0.228 45.383 45.100 0.093 0.000 0.627 238 G HN 0.584 nan 8.290 nan 0.000 0.522 239 T N 1.310 115.932 114.554 0.114 0.000 2.902 239 T HA 0.394 4.717 4.350 -0.046 0.000 0.301 239 T C 0.293 175.051 174.700 0.096 0.000 1.012 239 T CA 0.876 63.042 62.100 0.110 0.000 1.151 239 T CB 1.196 70.165 68.868 0.168 0.000 0.946 239 T HN 0.481 nan 8.240 nan 0.000 0.542 240 K N 3.450 123.886 120.400 0.059 0.000 2.307 240 K HA 0.256 4.548 4.320 -0.046 0.000 0.263 240 K C -0.072 176.537 176.600 0.014 0.000 0.973 240 K CA -0.947 55.364 56.287 0.039 0.000 0.846 240 K CB 0.769 33.279 32.500 0.017 0.000 1.100 240 K HN 0.690 nan 8.250 nan 0.000 0.438 241 D N 2.956 123.384 120.400 0.047 0.000 2.393 241 D HA 0.038 4.650 4.640 -0.046 0.000 0.246 241 D C 1.065 177.312 176.300 -0.088 0.000 1.275 241 D CA -0.224 53.781 54.000 0.009 0.000 0.979 241 D CB 0.474 41.378 40.800 0.174 0.000 1.101 241 D HN 0.567 nan 8.370 nan 0.000 0.505 242 G N -1.673 107.008 108.800 -0.199 0.000 2.509 242 G HA2 -0.166 3.766 3.960 -0.046 0.000 0.218 242 G HA3 -0.166 3.766 3.960 -0.046 0.000 0.218 242 G C 1.276 176.152 174.900 -0.039 0.000 1.124 242 G CA 1.214 46.233 45.100 -0.135 0.000 0.776 242 G HN 0.716 nan 8.290 nan 0.000 0.547 243 T N -3.469 111.058 114.554 -0.044 0.000 3.086 243 T HA 0.403 4.725 4.350 -0.046 0.000 0.250 243 T C 1.746 176.443 174.700 -0.006 0.000 1.074 243 T CA 0.872 62.963 62.100 -0.015 0.000 0.988 243 T CB 0.239 69.097 68.868 -0.017 0.000 0.988 243 T HN 1.206 nan 8.240 nan 0.000 0.530 244 G N 1.319 110.116 108.800 -0.006 0.000 2.141 244 G HA2 -0.247 3.685 3.960 -0.046 0.000 0.242 244 G HA3 -0.247 3.685 3.960 -0.046 0.000 0.242 244 G C -0.115 174.787 174.900 0.003 0.000 0.982 244 G CA 0.138 45.237 45.100 -0.001 0.000 0.662 244 G HN 0.808 nan 8.290 nan 0.000 0.527 245 K N 0.718 121.121 120.400 0.005 0.000 2.234 245 K HA 0.560 4.852 4.320 -0.046 0.000 0.282 245 K C 0.373 176.985 176.600 0.020 0.000 1.039 245 K CA -0.571 55.721 56.287 0.007 0.000 0.928 245 K CB 0.974 33.473 32.500 -0.000 0.000 1.039 245 K HN 0.014 nan 8.250 nan 0.000 0.470 246 V N 6.200 126.126 119.914 0.019 0.000 2.465 246 V HA 0.256 4.348 4.120 -0.046 0.000 0.279 246 V C 0.435 176.545 176.094 0.027 0.000 1.045 246 V CA -0.684 61.636 62.300 0.033 0.000 0.938 246 V CB 1.143 32.986 31.823 0.032 0.000 0.986 246 V HN 0.696 nan 8.190 nan 0.000 0.467 247 I N 4.244 124.840 120.570 0.043 0.000 2.472 247 I HA 0.576 4.718 4.170 -0.046 0.000 0.290 247 I C 1.240 177.382 176.117 0.043 0.000 1.016 247 I CA 0.933 62.236 61.300 0.006 0.000 1.348 247 I CB 0.886 38.892 38.000 0.010 0.000 1.417 247 I HN 0.930 nan 8.210 nan 0.000 0.521 248 G N 5.507 114.289 108.800 -0.030 0.000 2.528 248 G HA2 -0.360 3.572 3.960 -0.046 0.000 0.262 248 G HA3 -0.360 3.572 3.960 -0.046 0.000 0.262 248 G C -0.061 174.895 174.900 0.092 0.000 1.200 248 G CA 0.046 45.176 45.100 0.051 0.000 0.951 248 G HN 0.793 nan 8.290 nan 0.000 0.566 249 N N 1.348 120.141 118.700 0.155 0.000 2.402 249 N HA 0.534 5.246 4.740 -0.046 0.000 0.252 249 N C 1.409 176.972 175.510 0.088 0.000 1.118 249 N CA 0.972 54.089 53.050 0.110 0.000 0.945 249 N CB 0.831 39.396 38.487 0.130 0.000 1.147 249 N HN 1.047 nan 8.380 nan 0.000 0.495 250 A N 3.810 126.664 122.820 0.056 0.000 1.948 250 A HA -0.208 4.084 4.320 -0.046 0.000 0.220 250 A C 1.376 178.978 177.584 0.031 0.000 1.177 250 A CA 1.592 53.656 52.037 0.044 0.000 0.636 250 A CB -0.337 18.680 19.000 0.028 0.000 0.815 250 A HN 0.878 nan 8.150 nan 0.000 0.449 251 N N -0.752 117.957 118.700 0.014 0.000 2.236 251 N HA 0.394 5.107 4.740 -0.046 0.000 0.196 251 N C 0.315 175.795 175.510 -0.050 0.000 1.114 251 N CA 0.279 53.322 53.050 -0.011 0.000 0.859 251 N CB 0.278 38.757 38.487 -0.013 0.000 0.982 251 N HN 0.442 nan 8.380 nan 0.000 0.493 252 A N 1.022 123.805 122.820 -0.062 0.000 2.540 252 A HA 0.081 4.374 4.320 -0.046 0.000 0.239 252 A C -0.310 177.114 177.584 -0.267 0.000 1.061 252 A CA 0.489 52.397 52.037 -0.215 0.000 0.758 252 A CB 0.183 19.086 19.000 -0.163 0.000 0.991 252 A HN 0.118 nan 8.150 nan 0.000 0.502 253 D N 1.647 121.798 120.400 -0.416 0.000 2.440 253 D HA 0.390 5.002 4.640 -0.046 0.000 0.252 253 D C -0.911 175.179 176.300 -0.351 0.000 1.180 253 D CA -0.219 53.630 54.000 -0.253 0.000 0.894 253 D CB 0.394 41.125 40.800 -0.114 0.000 1.111 253 D HN 0.409 nan 8.370 nan 0.000 0.544 254 Y N 1.619 121.925 120.300 0.009 0.000 2.524 254 Y HA 0.282 4.806 4.550 -0.044 0.000 0.266 254 Y C 0.875 176.768 175.900 -0.012 0.000 1.180 254 Y CA -0.367 57.731 58.100 -0.003 0.000 1.244 254 Y CB 0.207 38.654 38.460 -0.022 0.000 1.125 254 Y HN 0.034 nan 8.280 nan 0.000 0.524 255 R N 2.599 123.155 120.500 0.093 0.000 2.421 255 R HA 0.038 4.351 4.340 -0.046 0.000 0.305 255 R C 0.383 176.701 176.300 0.031 0.000 1.039 255 R CA -0.242 55.880 56.100 0.037 0.000 1.003 255 R CB 0.141 30.491 30.300 0.082 0.000 0.959 255 R HN 0.304 nan 8.270 nan 0.000 0.427 256 N N 1.857 120.539 118.700 -0.030 0.000 2.418 256 N HA -0.073 4.639 4.740 -0.046 0.000 0.283 256 N C 0.617 176.086 175.510 -0.069 0.000 1.267 256 N CA -0.428 52.614 53.050 -0.014 0.000 0.975 256 N CB 0.406 38.892 38.487 -0.002 0.000 1.167 256 N HN 0.646 nan 8.380 nan 0.000 0.581 257 E N -1.259 118.943 120.200 0.003 0.000 2.338 257 E HA -0.203 4.119 4.350 -0.046 0.000 0.197 257 E C 0.760 177.327 176.600 -0.054 0.000 1.007 257 E CA 0.910 57.343 56.400 0.054 0.000 0.849 257 E CB -0.405 29.344 29.700 0.081 0.000 0.774 257 E HN 0.670 nan 8.360 nan 0.000 0.506 258 Q N 0.322 120.046 119.800 -0.126 0.000 2.444 258 Q HA 0.090 4.402 4.340 -0.046 0.000 0.206 258 Q C 0.994 176.789 176.000 -0.342 0.000 0.948 258 Q CA 0.391 56.108 55.803 -0.143 0.000 0.946 258 Q CB 0.389 29.094 28.738 -0.055 0.000 1.027 258 Q HN 0.548 nan 8.270 nan 0.000 0.513 259 G N 1.700 110.061 108.800 -0.732 0.000 2.153 259 G HA2 -0.317 3.615 3.960 -0.046 0.000 0.252 259 G HA3 -0.317 3.615 3.960 -0.046 0.000 0.252 259 G C -0.120 174.518 174.900 -0.437 0.000 0.994 259 G CA 0.175 44.666 45.100 -1.016 0.000 0.698 259 G HN 0.237 nan 8.290 nan 0.000 0.521 260 R N -1.137 119.201 120.500 -0.269 0.000 2.598 260 R HA 0.633 4.945 4.340 -0.046 0.000 0.279 260 R C -0.355 175.886 176.300 -0.098 0.000 0.984 260 R CA -0.822 55.192 56.100 -0.144 0.000 0.999 260 R CB 2.076 32.344 30.300 -0.053 0.000 1.114 260 R HN 0.074 nan 8.270 nan 0.000 0.493 261 V N 4.122 123.997 119.914 -0.066 0.000 2.275 261 V HA 0.210 4.302 4.120 -0.046 0.000 0.272 261 V C 0.307 176.393 176.094 -0.013 0.000 1.028 261 V CA -0.220 62.068 62.300 -0.021 0.000 0.810 261 V CB 0.877 32.684 31.823 -0.027 0.000 1.043 261 V HN 0.668 nan 8.190 nan 0.000 0.453 262 L N 3.644 124.865 121.223 -0.004 0.000 3.069 262 L HA 0.378 4.690 4.340 -0.046 0.000 0.271 262 L C 0.594 177.451 176.870 -0.022 0.000 1.201 262 L CA 0.128 54.962 54.840 -0.010 0.000 1.015 262 L CB 0.558 42.618 42.059 0.002 0.000 1.371 262 L HN 0.764 nan 8.230 nan 0.000 0.574 263 S N -1.477 114.189 115.700 -0.056 0.000 2.656 263 S HA 0.881 5.323 4.470 -0.046 0.000 0.273 263 S C -0.146 174.193 174.600 -0.436 0.000 1.168 263 S CA -0.256 57.865 58.200 -0.131 0.000 0.817 263 S CB 2.268 65.457 63.200 -0.017 0.000 1.146 263 S HN 0.300 nan 8.310 nan 0.000 0.475 264 G N 0.561 108.968 108.800 -0.655 0.000 2.746 264 G HA2 0.125 4.057 3.960 -0.046 0.000 0.685 264 G HA3 0.125 4.057 3.960 -0.046 0.000 0.685 264 G C -3.303 171.199 174.900 -0.663 0.000 1.350 264 G CA -0.623 43.703 45.100 -1.291 0.000 0.837 264 G HN 0.802 nan 8.290 nan 0.000 0.564 265 P HA 0.388 nan 4.420 nan 0.000 0.270 265 P C -0.201 176.744 177.300 -0.591 0.000 1.223 265 P CA 0.249 63.091 63.100 -0.429 0.000 0.785 265 P CB 0.533 32.024 31.700 -0.348 0.000 0.923 266 E N 0.662 120.555 120.200 -0.511 0.000 2.272 266 E HA 0.446 4.768 4.350 -0.046 0.000 0.269 266 E C -1.115 175.300 176.600 -0.308 0.000 0.877 266 E CA -0.520 55.611 56.400 -0.448 0.000 0.755 266 E CB 1.291 30.877 29.700 -0.191 0.000 1.192 266 E HN 0.345 nan 8.360 nan 0.000 0.422 267 Y N 0.614 120.941 120.300 0.046 0.000 2.562 267 Y HA 0.547 5.070 4.550 -0.046 0.000 0.343 267 Y C -0.643 175.337 175.900 0.133 0.000 1.025 267 Y CA -1.278 56.870 58.100 0.080 0.000 1.082 267 Y CB 1.108 39.573 38.460 0.009 0.000 1.264 267 Y HN 0.354 nan 8.280 nan 0.000 0.478 268 L N 1.442 122.829 121.223 0.274 0.000 2.349 268 L HA 0.757 5.069 4.340 -0.046 0.000 0.278 268 L C -0.783 176.037 176.870 -0.085 0.000 0.996 268 L CA -0.083 54.822 54.840 0.109 0.000 0.825 268 L CB 1.549 43.559 42.059 -0.082 0.000 1.243 268 L HN 0.690 nan 8.230 nan 0.000 0.412 269 T N 4.209 118.669 114.554 -0.157 0.000 2.841 269 T HA 0.604 4.926 4.350 -0.046 0.000 0.283 269 T C -0.839 173.565 174.700 -0.495 0.000 1.000 269 T CA -0.442 61.399 62.100 -0.431 0.000 0.977 269 T CB 1.765 70.201 68.868 -0.719 0.000 0.979 269 T HN 0.312 nan 8.240 nan 0.000 0.446 270 V N 4.072 123.629 119.914 -0.594 0.000 2.370 270 V HA 0.522 4.614 4.120 -0.046 0.000 0.279 270 V C -0.783 174.931 176.094 -0.632 0.000 1.029 270 V CA -0.686 61.265 62.300 -0.582 0.000 0.870 270 V CB 0.352 31.629 31.823 -0.910 0.000 0.984 270 V HN 0.747 nan 8.190 nan 0.000 0.451 271 F N 2.062 121.850 119.950 -0.270 0.000 2.450 271 F HA 0.456 4.955 4.527 -0.047 0.000 0.332 271 F C 0.514 176.173 175.800 -0.235 0.000 1.093 271 F CA -0.600 57.236 58.000 -0.273 0.000 1.003 271 F CB 1.505 40.300 39.000 -0.341 0.000 1.151 271 F HN 0.423 nan 8.300 nan 0.000 0.474 272 Q N 1.340 121.122 119.800 -0.031 0.000 2.289 272 Q HA 0.159 4.471 4.340 -0.046 0.000 0.273 272 Q C 1.205 177.201 176.000 -0.007 0.000 1.029 272 Q CA 0.346 56.141 55.803 -0.014 0.000 0.896 272 Q CB 1.246 29.973 28.738 -0.019 0.000 1.182 272 Q HN 0.998 nan 8.270 nan 0.000 0.385 273 G N 1.989 110.862 108.800 0.121 0.000 2.422 273 G HA2 -0.264 3.669 3.960 -0.046 0.000 0.218 273 G HA3 -0.264 3.669 3.960 -0.046 0.000 0.218 273 G C 1.302 176.454 174.900 0.420 0.000 1.146 273 G CA 0.847 46.112 45.100 0.274 0.000 0.769 273 G HN 0.732 nan 8.290 nan 0.000 0.547 274 S N -0.129 115.728 115.700 0.261 0.000 2.461 274 S HA -0.029 4.413 4.470 -0.046 0.000 0.228 274 S C 1.982 176.789 174.600 0.346 0.000 1.005 274 S CA 1.775 60.144 58.200 0.281 0.000 0.942 274 S CB -0.177 63.119 63.200 0.160 0.000 0.776 274 S HN 0.526 nan 8.310 nan 0.000 0.514 275 T N -4.402 110.222 114.554 0.116 0.000 2.969 275 T HA 0.522 4.844 4.350 -0.046 0.000 0.258 275 T C 1.533 175.874 174.700 -0.599 0.000 0.962 275 T CA 0.607 62.692 62.100 -0.025 0.000 0.903 275 T CB -0.030 68.817 68.868 -0.035 0.000 1.177 275 T HN 1.141 nan 8.240 nan 0.000 0.511 276 G N 2.043 110.107 108.800 -1.226 0.000 2.155 276 G HA2 -0.309 3.624 3.960 -0.046 0.000 0.257 276 G HA3 -0.309 3.624 3.960 -0.046 0.000 0.257 276 G C -0.058 174.522 174.900 -0.535 0.000 0.983 276 G CA 0.528 44.681 45.100 -1.578 0.000 0.676 276 G HN 0.848 nan 8.290 nan 0.000 0.528 277 K N 0.944 121.189 120.400 -0.258 0.000 2.350 277 K HA 0.294 4.586 4.320 -0.046 0.000 0.279 277 K C 0.784 177.390 176.600 0.010 0.000 1.027 277 K CA -0.420 55.825 56.287 -0.070 0.000 0.969 277 K CB 0.345 32.806 32.500 -0.063 0.000 0.954 277 K HN 0.365 nan 8.250 nan 0.000 0.474 278 E N 4.491 124.697 120.200 0.010 0.000 2.480 278 E HA -0.102 4.220 4.350 -0.046 0.000 0.258 278 E C 0.131 176.618 176.600 -0.189 0.000 0.984 278 E CA 0.083 56.354 56.400 -0.214 0.000 0.930 278 E CB 0.510 30.087 29.700 -0.206 0.000 0.936 278 E HN 0.614 nan 8.360 nan 0.000 0.466 279 L N 3.884 124.953 121.223 -0.258 0.000 2.262 279 L HA 0.183 4.495 4.340 -0.046 0.000 0.197 279 L C 0.077 176.873 176.870 -0.124 0.000 1.073 279 L CA 0.291 55.048 54.840 -0.138 0.000 0.800 279 L CB 0.505 42.496 42.059 -0.114 0.000 0.987 279 L HN 0.342 nan 8.230 nan 0.000 0.470 280 V N -0.765 119.013 119.914 -0.227 0.000 2.891 280 V HA 0.345 4.437 4.120 -0.046 0.000 0.304 280 V C -1.012 174.928 176.094 -0.256 0.000 1.171 280 V CA -0.542 61.663 62.300 -0.158 0.000 0.943 280 V CB 2.145 33.968 31.823 -0.000 0.000 1.037 280 V HN 0.056 nan 8.190 nan 0.000 0.427 281 T N 3.651 118.075 114.554 -0.216 0.000 2.848 281 T HA 0.838 5.161 4.350 -0.046 0.000 0.285 281 T C -0.231 174.379 174.700 -0.150 0.000 0.995 281 T CA -0.162 61.800 62.100 -0.230 0.000 0.970 281 T CB 1.784 70.466 68.868 -0.311 0.000 0.976 281 T HN 1.040 nan 8.240 nan 0.000 0.441 282 A N 3.156 125.929 122.820 -0.079 0.000 2.387 282 A HA 0.758 5.051 4.320 -0.046 0.000 0.303 282 A C -0.233 177.432 177.584 0.136 0.000 1.145 282 A CA -1.053 50.988 52.037 0.007 0.000 0.801 282 A CB 0.786 19.794 19.000 0.014 0.000 1.342 282 A HN 0.854 nan 8.150 nan 0.000 0.440 283 N N -0.088 118.722 118.700 0.184 0.000 2.458 283 N HA 0.246 4.958 4.740 -0.046 0.000 0.258 283 N C -0.700 174.950 175.510 0.234 0.000 1.219 283 N CA 0.355 53.566 53.050 0.270 0.000 0.902 283 N CB 0.333 38.937 38.487 0.194 0.000 1.076 283 N HN 0.534 nan 8.380 nan 0.000 0.455 284 F N 2.050 122.065 119.950 0.109 0.000 2.495 284 F HA 0.124 4.621 4.527 -0.050 0.000 0.365 284 F C 0.255 176.140 175.800 0.142 0.000 1.090 284 F CA 0.036 58.089 58.000 0.089 0.000 1.235 284 F CB 0.461 39.477 39.000 0.026 0.000 1.119 284 F HN 0.433 nan 8.300 nan 0.000 0.562 285 E N 6.829 126.746 120.200 -0.472 0.000 2.266 285 E HA 0.308 4.630 4.350 -0.046 0.000 0.268 285 E C -2.601 173.612 176.600 -0.645 0.000 0.879 285 E CA -2.466 53.752 56.400 -0.303 0.000 0.762 285 E CB 1.805 31.457 29.700 -0.080 0.000 1.199 285 E HN 0.328 nan 8.360 nan 0.000 0.422 286 P HA 0.005 nan 4.420 nan 0.000 0.266 286 P C -0.899 176.625 177.300 0.373 0.000 1.215 286 P CA 0.143 63.352 63.100 0.181 0.000 0.763 286 P CB 0.531 32.425 31.700 0.323 0.000 0.806 287 A N 4.198 127.193 122.820 0.293 0.000 2.466 287 A HA 0.041 4.333 4.320 -0.046 0.000 0.238 287 A C 1.809 179.613 177.584 0.366 0.000 1.074 287 A CA -0.076 52.145 52.037 0.306 0.000 0.774 287 A CB -0.046 19.070 19.000 0.193 0.000 1.015 287 A HN 0.609 nan 8.150 nan 0.000 0.498 288 R N 1.266 121.935 120.500 0.281 0.000 2.073 288 R HA 0.030 4.342 4.340 -0.046 0.000 0.234 288 R C 1.501 178.050 176.300 0.415 0.000 1.134 288 R CA 1.737 58.010 56.100 0.289 0.000 0.952 288 R CB -0.700 29.676 30.300 0.127 0.000 0.850 288 R HN 1.541 nan 8.270 nan 0.000 0.433 289 G N 0.678 109.619 108.800 0.235 0.000 2.596 289 G HA2 -0.346 3.586 3.960 -0.046 0.000 0.295 289 G HA3 -0.346 3.586 3.960 -0.046 0.000 0.295 289 G C -0.686 174.302 174.900 0.147 0.000 1.240 289 G CA 0.257 45.449 45.100 0.154 0.000 0.985 289 G HN 0.519 nan 8.290 nan 0.000 0.555 290 N N 0.667 119.432 118.700 0.110 0.000 2.479 290 N HA 0.338 5.050 4.740 -0.046 0.000 0.285 290 N C 1.638 177.262 175.510 0.190 0.000 1.075 290 N CA 0.127 53.235 53.050 0.097 0.000 0.967 290 N CB 1.832 40.339 38.487 0.033 0.000 1.137 290 N HN 0.355 nan 8.380 nan 0.000 0.472 291 V N 2.026 122.038 119.914 0.164 0.000 2.278 291 V HA -0.301 3.791 4.120 -0.046 0.000 0.251 291 V C 2.319 178.535 176.094 0.203 0.000 1.062 291 V CA 2.475 64.887 62.300 0.187 0.000 1.038 291 V CB -0.745 31.117 31.823 0.065 0.000 0.646 291 V HN 0.817 nan 8.190 nan 0.000 0.447 292 S N -0.600 115.157 115.700 0.094 0.000 2.474 292 S HA -0.196 4.246 4.470 -0.046 0.000 0.235 292 S C 1.472 176.069 174.600 -0.004 0.000 0.997 292 S CA 1.232 59.458 58.200 0.043 0.000 0.949 292 S CB -0.527 62.684 63.200 0.017 0.000 0.766 292 S HN 0.602 nan 8.310 nan 0.000 0.517 293 D N 1.129 121.493 120.400 -0.061 0.000 2.221 293 D HA -0.088 4.524 4.640 -0.046 0.000 0.204 293 D C 0.768 176.824 176.300 -0.407 0.000 0.982 293 D CA 0.960 54.780 54.000 -0.300 0.000 0.857 293 D CB -0.331 40.153 40.800 -0.526 0.000 0.934 293 D HN 0.726 nan 8.370 nan 0.000 0.475 294 W N -0.184 121.073 121.300 -0.072 0.000 3.197 294 W HA 0.358 5.011 4.660 -0.010 0.000 0.274 294 W C 1.542 178.006 176.519 -0.092 0.000 1.297 294 W CA 0.456 57.746 57.345 -0.091 0.000 1.662 294 W CB 0.567 29.947 29.460 -0.133 0.000 1.106 294 W HN 0.076 nan 8.180 nan 0.000 0.663 295 G N 0.551 109.391 108.800 0.067 0.000 2.205 295 G HA2 -0.193 3.739 3.960 -0.046 0.000 0.180 295 G HA3 -0.193 3.739 3.960 -0.046 0.000 0.180 295 G C -0.497 174.394 174.900 -0.016 0.000 1.004 295 G CA -0.163 44.946 45.100 0.015 0.000 0.670 295 G HN 0.322 nan 8.290 nan 0.000 0.496 296 D N -1.529 118.848 120.400 -0.039 0.000 2.596 296 D HA 0.690 5.302 4.640 -0.046 0.000 0.262 296 D C 0.500 176.767 176.300 -0.054 0.000 1.210 296 D CA 0.032 53.992 54.000 -0.067 0.000 0.873 296 D CB 0.805 41.477 40.800 -0.213 0.000 1.408 296 D HN -0.065 nan 8.370 nan 0.000 0.441 297 S N -1.307 114.399 115.700 0.009 0.000 2.539 297 S HA 0.052 4.494 4.470 -0.046 0.000 0.221 297 S C 0.661 175.299 174.600 0.062 0.000 0.987 297 S CA -0.289 57.932 58.200 0.035 0.000 0.929 297 S CB -0.366 62.870 63.200 0.061 0.000 0.832 297 S HN 0.591 nan 8.310 nan 0.000 0.492 298 Y N 0.240 120.539 120.300 -0.002 0.000 2.482 298 Y HA 0.539 5.064 4.550 -0.043 0.000 0.270 298 Y C 1.168 177.063 175.900 -0.007 0.000 1.152 298 Y CA 0.204 58.300 58.100 -0.007 0.000 1.292 298 Y CB -0.400 38.053 38.460 -0.013 0.000 1.070 298 Y HN 0.102 nan 8.280 nan 0.000 0.528 299 G N 1.118 109.727 108.800 -0.319 0.000 2.145 299 G HA2 -0.320 3.612 3.960 -0.046 0.000 0.176 299 G HA3 -0.320 3.612 3.960 -0.046 0.000 0.176 299 G C 0.563 175.278 174.900 -0.307 0.000 1.013 299 G CA 0.286 45.254 45.100 -0.220 0.000 0.689 299 G HN 0.469 nan 8.290 nan 0.000 0.506 300 N N 0.391 118.729 118.700 -0.604 0.000 2.244 300 N HA 0.064 4.776 4.740 -0.046 0.000 0.189 300 N C 2.261 177.546 175.510 -0.374 0.000 1.047 300 N CA 1.171 53.947 53.050 -0.456 0.000 0.870 300 N CB -0.145 37.978 38.487 -0.607 0.000 1.041 300 N HN 0.487 nan 8.380 nan 0.000 0.448 301 R N 0.342 120.630 120.500 -0.355 0.000 2.096 301 R HA -0.044 4.269 4.340 -0.046 0.000 0.235 301 R C 2.118 178.183 176.300 -0.392 0.000 1.127 301 R CA 0.931 56.883 56.100 -0.248 0.000 0.968 301 R CB -0.581 29.670 30.300 -0.081 0.000 0.861 301 R HN 0.132 nan 8.270 nan 0.000 0.440 302 V N 1.450 121.107 119.914 -0.429 0.000 2.469 302 V HA -0.202 3.890 4.120 -0.046 0.000 0.251 302 V C 0.295 175.782 176.094 -1.012 0.000 1.064 302 V CA 1.984 63.754 62.300 -0.882 0.000 1.066 302 V CB -0.119 31.385 31.823 -0.531 0.000 0.667 302 V HN 0.250 nan 8.190 nan 0.000 0.461 303 D N 0.222 120.191 120.400 -0.719 0.000 2.615 303 D HA 0.210 4.822 4.640 -0.046 0.000 0.236 303 D C 0.050 175.786 176.300 -0.941 0.000 1.233 303 D CA -0.088 53.467 54.000 -0.741 0.000 0.829 303 D CB -0.043 40.690 40.800 -0.111 0.000 1.024 303 D HN 0.295 nan 8.370 nan 0.000 0.490 304 R N 0.942 120.806 120.500 -1.060 0.000 2.287 304 R HA 0.301 4.614 4.340 -0.046 0.000 0.327 304 R C -0.472 175.385 176.300 -0.738 0.000 1.109 304 R CA -0.397 55.190 56.100 -0.855 0.000 1.013 304 R CB -0.393 29.190 30.300 -1.195 0.000 1.126 304 R HN -0.033 nan 8.270 nan 0.000 0.503 305 F N 2.482 122.364 119.950 -0.113 0.000 2.458 305 F HA 0.551 5.055 4.527 -0.038 0.000 0.330 305 F C 0.654 176.541 175.800 0.145 0.000 1.082 305 F CA -0.693 57.326 58.000 0.030 0.000 0.995 305 F CB 1.262 40.270 39.000 0.014 0.000 1.170 305 F HN 0.078 nan 8.300 nan 0.000 0.478 306 L N 1.465 122.917 121.223 0.382 0.000 2.341 306 L HA 0.986 5.298 4.340 -0.046 0.000 0.254 306 L C -0.772 176.264 176.870 0.276 0.000 1.040 306 L CA -1.158 53.844 54.840 0.270 0.000 0.837 306 L CB 2.218 44.387 42.059 0.183 0.000 1.425 306 L HN 0.749 nan 8.230 nan 0.000 0.414 307 A N -0.303 122.637 122.820 0.199 0.000 2.610 307 A HA 0.948 5.240 4.320 -0.046 0.000 0.291 307 A C -0.983 176.700 177.584 0.165 0.000 1.086 307 A CA 0.051 52.201 52.037 0.189 0.000 0.677 307 A CB 1.872 20.981 19.000 0.183 0.000 1.278 307 A HN 0.882 nan 8.150 nan 0.000 0.414 308 G N -0.503 108.390 108.800 0.155 0.000 2.559 308 G HA2 0.566 4.498 3.960 -0.046 0.000 0.291 308 G HA3 0.566 4.498 3.960 -0.046 0.000 0.291 308 G C -1.775 173.187 174.900 0.103 0.000 1.424 308 G CA -0.527 44.680 45.100 0.179 0.000 0.786 308 G HN 0.640 nan 8.290 nan 0.000 0.485 309 I N 0.868 121.481 120.570 0.071 0.000 2.404 309 I HA 0.711 4.853 4.170 -0.046 0.000 0.293 309 I C 0.232 176.365 176.117 0.026 0.000 0.992 309 I CA -0.910 60.345 61.300 -0.075 0.000 1.149 309 I CB 1.036 38.804 38.000 -0.386 0.000 1.315 309 I HN 0.773 nan 8.210 nan 0.000 0.446 310 A N 6.025 128.866 122.820 0.036 0.000 2.427 310 A HA 0.586 4.879 4.320 -0.046 0.000 0.298 310 A C -1.429 176.257 177.584 0.169 0.000 1.036 310 A CA -0.513 51.623 52.037 0.165 0.000 0.701 310 A CB 0.806 19.907 19.000 0.168 0.000 1.250 310 A HN 0.593 nan 8.150 nan 0.000 0.412 311 Y N 3.714 124.037 120.300 0.038 0.000 2.570 311 Y HA 0.147 4.668 4.550 -0.047 0.000 0.336 311 Y C 1.201 177.148 175.900 0.079 0.000 1.284 311 Y CA -0.193 57.938 58.100 0.052 0.000 1.761 311 Y CB -0.085 38.406 38.460 0.051 0.000 1.724 311 Y HN 0.671 nan 8.280 nan 0.000 0.455 312 L N 0.610 121.941 121.223 0.180 0.000 2.191 312 L HA -0.198 4.114 4.340 -0.046 0.000 0.212 312 L C 1.638 178.605 176.870 0.162 0.000 1.103 312 L CA 1.241 56.219 54.840 0.230 0.000 0.769 312 L CB -0.192 42.033 42.059 0.277 0.000 0.908 312 L HN 0.573 nan 8.230 nan 0.000 0.438 313 D N -1.046 119.422 120.400 0.113 0.000 2.349 313 D HA 0.079 4.691 4.640 -0.046 0.000 0.214 313 D C 1.479 177.821 176.300 0.069 0.000 1.063 313 D CA 0.612 54.656 54.000 0.072 0.000 0.847 313 D CB 0.302 41.142 40.800 0.067 0.000 0.933 313 D HN 0.202 nan 8.370 nan 0.000 0.513 314 G N 0.279 109.152 108.800 0.122 0.000 2.179 314 G HA2 -0.405 3.527 3.960 -0.046 0.000 0.260 314 G HA3 -0.405 3.527 3.960 -0.046 0.000 0.260 314 G C 0.794 175.821 174.900 0.212 0.000 0.977 314 G CA 0.716 45.897 45.100 0.135 0.000 0.641 314 G HN 0.552 nan 8.290 nan 0.000 0.533 315 Q N -1.234 118.728 119.800 0.270 0.000 2.519 315 Q HA 0.289 4.601 4.340 -0.046 0.000 0.248 315 Q C 1.069 177.307 176.000 0.396 0.000 0.804 315 Q CA -0.091 55.910 55.803 0.330 0.000 0.979 315 Q CB 0.852 29.739 28.738 0.247 0.000 1.282 315 Q HN 0.525 nan 8.270 nan 0.000 0.558 316 R N 1.287 121.869 120.500 0.138 0.000 2.803 316 R HA 0.503 4.815 4.340 -0.046 0.000 0.276 316 R C -2.667 173.208 176.300 -0.708 0.000 0.978 316 R CA -2.186 53.816 56.100 -0.164 0.000 0.939 316 R CB 1.833 32.126 30.300 -0.011 0.000 1.179 316 R HN 0.132 nan 8.270 nan 0.000 0.472 317 P HA 0.106 nan 4.420 nan 0.000 0.275 317 P C -0.868 176.232 177.300 -0.332 0.000 1.228 317 P CA -0.126 62.446 63.100 -0.879 0.000 0.786 317 P CB 1.275 32.648 31.700 -0.544 0.000 0.927 318 S N 1.206 116.766 115.700 -0.235 0.000 2.638 318 S HA 0.562 5.004 4.470 -0.046 0.000 0.302 318 S C -0.590 173.965 174.600 -0.075 0.000 1.096 318 S CA -0.615 57.522 58.200 -0.104 0.000 0.953 318 S CB 1.129 64.275 63.200 -0.089 0.000 1.107 318 S HN 0.416 nan 8.310 nan 0.000 0.503 319 L N 2.654 123.867 121.223 -0.016 0.000 2.296 319 L HA 0.601 4.913 4.340 -0.046 0.000 0.286 319 L C -1.394 175.494 176.870 0.031 0.000 1.023 319 L CA -0.341 54.514 54.840 0.025 0.000 0.812 319 L CB 0.565 42.659 42.059 0.058 0.000 1.223 319 L HN 0.460 nan 8.230 nan 0.000 0.421 320 I N 6.069 126.661 120.570 0.036 0.000 2.377 320 I HA 0.431 4.573 4.170 -0.046 0.000 0.293 320 I C -0.245 175.941 176.117 0.115 0.000 0.987 320 I CA -0.465 60.851 61.300 0.027 0.000 1.185 320 I CB 1.546 39.581 38.000 0.058 0.000 1.341 320 I HN 0.592 nan 8.210 nan 0.000 0.455 321 M N 5.426 125.103 119.600 0.128 0.000 2.321 321 M HA 0.407 4.859 4.480 -0.046 0.000 0.315 321 M C 0.002 176.428 176.300 0.209 0.000 1.052 321 M CA -0.442 54.982 55.300 0.207 0.000 0.936 321 M CB 2.137 34.837 32.600 0.167 0.000 1.639 321 M HN 0.727 nan 8.290 nan 0.000 0.433 322 T N 0.857 115.604 114.554 0.321 0.000 2.916 322 T HA 0.857 5.179 4.350 -0.046 0.000 0.292 322 T C -0.825 174.082 174.700 0.345 0.000 1.055 322 T CA -0.903 61.379 62.100 0.302 0.000 1.009 322 T CB 3.006 72.099 68.868 0.374 0.000 1.118 322 T HN 0.800 nan 8.240 nan 0.000 0.497 323 R N 0.464 121.082 120.500 0.195 0.000 2.548 323 R HA 0.576 4.888 4.340 -0.046 0.000 0.280 323 R C -0.254 175.980 176.300 -0.110 0.000 1.061 323 R CA 0.403 56.423 56.100 -0.132 0.000 0.915 323 R CB 1.270 31.453 30.300 -0.194 0.000 1.210 323 R HN 1.615 nan 8.270 nan 0.000 0.442 324 G N 2.658 111.228 108.800 -0.385 0.000 2.716 324 G HA2 -0.263 3.669 3.960 -0.046 0.000 0.686 324 G HA3 -0.263 3.669 3.960 -0.046 0.000 0.686 324 G C -0.730 174.144 174.900 -0.042 0.000 1.337 324 G CA 0.162 45.142 45.100 -0.199 0.000 0.829 324 G HN 0.860 nan 8.290 nan 0.000 0.599 325 Y N -3.505 116.790 120.300 -0.009 0.000 2.551 325 Y HA 0.292 4.810 4.550 -0.053 0.000 0.297 325 Y C 1.985 177.804 175.900 -0.135 0.000 0.968 325 Y CA 0.175 58.255 58.100 -0.033 0.000 1.039 325 Y CB -0.433 37.917 38.460 -0.183 0.000 1.418 325 Y HN 0.465 nan 8.280 nan 0.000 0.589 326 Y N 1.706 122.033 120.300 0.045 0.000 2.242 326 Y HA 0.267 4.783 4.550 -0.056 0.000 0.291 326 Y C 1.972 177.893 175.900 0.034 0.000 1.137 326 Y CA 1.429 59.535 58.100 0.009 0.000 1.181 326 Y CB -0.176 38.222 38.460 -0.104 0.000 0.989 326 Y HN 0.393 nan 8.280 nan 0.000 0.527 327 A N -0.581 122.351 122.820 0.187 0.000 2.597 327 A HA 0.257 4.549 4.320 -0.046 0.000 0.191 327 A C -0.218 177.423 177.584 0.095 0.000 1.336 327 A CA -0.577 51.527 52.037 0.112 0.000 1.516 327 A CB -0.402 18.642 19.000 0.073 0.000 1.849 327 A HN -0.059 nan 8.150 nan 0.000 0.640 328 K N 0.997 121.420 120.400 0.037 0.000 2.550 328 K HA 0.233 4.525 4.320 -0.046 0.000 0.280 328 K C -1.168 175.521 176.600 0.149 0.000 0.987 328 K CA 1.057 57.315 56.287 -0.049 0.000 1.048 328 K CB -0.024 32.240 32.500 -0.394 0.000 0.879 328 K HN 0.484 nan 8.250 nan 0.000 0.491 329 T N 5.285 119.905 114.554 0.111 0.000 2.921 329 T HA 0.436 4.758 4.350 -0.046 0.000 0.297 329 T C -0.721 174.043 174.700 0.107 0.000 1.013 329 T CA -0.704 61.508 62.100 0.186 0.000 0.990 329 T CB 0.973 69.913 68.868 0.120 0.000 1.023 329 T HN 0.550 nan 8.240 nan 0.000 0.447 330 M N 3.316 123.026 119.600 0.183 0.000 2.518 330 M HA 0.634 5.086 4.480 -0.046 0.000 0.300 330 M C -1.703 174.624 176.300 0.045 0.000 1.175 330 M CA -0.904 54.462 55.300 0.110 0.000 0.890 330 M CB 2.191 34.934 32.600 0.238 0.000 1.710 330 M HN 0.303 nan 8.290 nan 0.000 0.453 331 L N 2.021 123.255 121.223 0.018 0.000 2.408 331 L HA 0.812 5.124 4.340 -0.046 0.000 0.268 331 L C -0.961 175.968 176.870 0.098 0.000 0.986 331 L CA -0.626 54.250 54.840 0.060 0.000 0.820 331 L CB 2.120 44.216 42.059 0.062 0.000 1.303 331 L HN 0.495 nan 8.230 nan 0.000 0.411 332 V N 1.676 121.546 119.914 -0.073 0.000 2.876 332 V HA 0.968 5.060 4.120 -0.046 0.000 0.312 332 V C -0.986 174.705 176.094 -0.672 0.000 1.085 332 V CA -0.305 61.783 62.300 -0.353 0.000 0.945 332 V CB 2.054 33.653 31.823 -0.373 0.000 1.017 332 V HN 0.892 nan 8.190 nan 0.000 0.428 333 A N 5.168 127.288 122.820 -1.166 0.000 2.350 333 A HA 0.928 5.221 4.320 -0.046 0.000 0.324 333 A C -1.741 175.314 177.584 -0.880 0.000 1.118 333 A CA -0.447 50.930 52.037 -1.099 0.000 0.783 333 A CB 1.183 19.079 19.000 -1.839 0.000 1.236 333 A HN 0.889 nan 8.150 nan 0.000 0.457 334 Y N 0.333 120.422 120.300 -0.352 0.000 2.545 334 Y HA 0.444 4.967 4.550 -0.046 0.000 0.348 334 Y C 0.267 176.088 175.900 -0.131 0.000 1.002 334 Y CA -0.631 57.347 58.100 -0.203 0.000 1.039 334 Y CB 2.314 40.696 38.460 -0.130 0.000 1.271 334 Y HN 0.800 nan 8.280 nan 0.000 0.467 335 N N 0.917 119.676 118.700 0.098 0.000 2.370 335 N HA 0.481 5.193 4.740 -0.046 0.000 0.303 335 N C -1.974 173.641 175.510 0.174 0.000 1.103 335 N CA -0.705 52.395 53.050 0.084 0.000 0.848 335 N CB 1.565 40.063 38.487 0.017 0.000 1.235 335 N HN 0.444 nan 8.380 nan 0.000 0.496 336 F N 2.513 122.466 119.950 0.005 0.000 2.430 336 F HA 0.505 5.004 4.527 -0.047 0.000 0.362 336 F C -0.886 174.919 175.800 0.008 0.000 1.103 336 F CA -0.420 57.581 58.000 0.001 0.000 1.045 336 F CB 0.418 39.414 39.000 -0.005 0.000 1.276 336 F HN 0.329 nan 8.300 nan 0.000 0.444 337 R N 4.182 124.398 120.500 -0.474 0.000 2.643 337 R HA 0.291 4.603 4.340 -0.046 0.000 0.269 337 R C -1.057 175.015 176.300 -0.380 0.000 1.037 337 R CA -0.883 54.999 56.100 -0.362 0.000 0.894 337 R CB 1.755 31.967 30.300 -0.147 0.000 1.238 337 R HN 0.627 nan 8.270 nan 0.000 0.459 338 D N 0.987 121.208 120.400 -0.298 0.000 2.837 338 D HA -0.203 4.409 4.640 -0.046 0.000 0.230 338 D C 0.748 176.899 176.300 -0.249 0.000 1.152 338 D CA 1.699 55.574 54.000 -0.208 0.000 0.736 338 D CB -0.949 39.774 40.800 -0.129 0.000 1.084 338 D HN 1.095 nan 8.370 nan 0.000 0.429 339 G N -0.430 108.111 108.800 -0.431 0.000 2.184 339 G HA2 -0.365 3.567 3.960 -0.046 0.000 0.264 339 G HA3 -0.365 3.567 3.960 -0.046 0.000 0.264 339 G C 0.223 174.993 174.900 -0.217 0.000 0.975 339 G CA 1.000 45.903 45.100 -0.329 0.000 0.642 339 G HN 0.507 nan 8.290 nan 0.000 0.536 340 K N -0.704 119.518 120.400 -0.295 0.000 2.371 340 K HA 0.675 4.967 4.320 -0.046 0.000 0.251 340 K C -0.802 175.831 176.600 0.055 0.000 0.934 340 K CA -1.128 55.129 56.287 -0.049 0.000 0.798 340 K CB 2.282 34.758 32.500 -0.041 0.000 1.204 340 K HN 0.055 nan 8.250 nan 0.000 0.427 341 L N 1.631 122.975 121.223 0.201 0.000 2.305 341 L HA 0.366 4.678 4.340 -0.046 0.000 0.281 341 L C -0.969 175.984 176.870 0.139 0.000 1.085 341 L CA 0.527 55.499 54.840 0.221 0.000 0.813 341 L CB 1.264 43.409 42.059 0.144 0.000 1.157 341 L HN 0.549 nan 8.230 nan 0.000 0.436 342 S N 4.012 119.802 115.700 0.150 0.000 2.536 342 S HA 0.477 4.919 4.470 -0.046 0.000 0.287 342 S C -0.902 173.749 174.600 0.085 0.000 1.101 342 S CA -0.860 57.395 58.200 0.092 0.000 0.950 342 S CB 1.700 64.918 63.200 0.029 0.000 1.056 342 S HN 0.543 nan 8.310 nan 0.000 0.481 343 K N 2.381 122.770 120.400 -0.017 0.000 2.234 343 K HA 0.439 4.731 4.320 -0.046 0.000 0.282 343 K C 0.133 176.591 176.600 -0.237 0.000 1.039 343 K CA -0.425 55.699 56.287 -0.271 0.000 0.928 343 K CB 0.374 32.709 32.500 -0.275 0.000 1.039 343 K HN 0.603 nan 8.250 nan 0.000 0.470 344 L N 3.802 124.805 121.223 -0.367 0.000 2.269 344 L HA 0.317 4.630 4.340 -0.046 0.000 0.200 344 L C 0.455 177.267 176.870 -0.097 0.000 1.069 344 L CA -0.077 54.617 54.840 -0.244 0.000 0.804 344 L CB -0.027 41.826 42.059 -0.343 0.000 0.987 344 L HN 0.709 nan 8.230 nan 0.000 0.468 345 W N -2.033 119.155 121.300 -0.187 0.000 2.989 345 W HA 0.543 5.173 4.660 -0.049 0.000 0.344 345 W C -1.511 174.888 176.519 -0.199 0.000 1.233 345 W CA -0.739 56.506 57.345 -0.166 0.000 1.187 345 W CB 1.083 30.459 29.460 -0.140 0.000 1.443 345 W HN -0.428 nan 8.180 nan 0.000 0.573 346 T N 2.391 117.148 114.554 0.337 0.000 2.886 346 T HA 0.470 4.792 4.350 -0.046 0.000 0.292 346 T C -1.432 173.359 174.700 0.152 0.000 1.012 346 T CA -0.545 61.683 62.100 0.213 0.000 0.982 346 T CB 2.166 71.058 68.868 0.041 0.000 1.018 346 T HN 0.392 nan 8.240 nan 0.000 0.451 347 L N 3.175 124.462 121.223 0.107 0.000 2.313 347 L HA 0.744 5.057 4.340 -0.046 0.000 0.283 347 L C -1.232 175.602 176.870 -0.060 0.000 1.013 347 L CA -0.294 54.492 54.840 -0.091 0.000 0.816 347 L CB 1.370 43.278 42.059 -0.251 0.000 1.236 347 L HN 0.531 nan 8.230 nan 0.000 0.419 348 D N 1.744 122.103 120.400 -0.068 0.000 2.542 348 D HA 0.231 4.843 4.640 -0.046 0.000 0.252 348 D C 0.785 177.057 176.300 -0.046 0.000 1.222 348 D CA 0.187 54.158 54.000 -0.049 0.000 0.895 348 D CB 1.899 42.672 40.800 -0.046 0.000 1.207 348 D HN 0.603 nan 8.370 nan 0.000 0.558 349 S N 1.755 117.437 115.700 -0.029 0.000 2.442 349 S HA -0.185 4.257 4.470 -0.046 0.000 0.236 349 S C 1.699 176.281 174.600 -0.031 0.000 1.007 349 S CA 1.269 59.477 58.200 0.013 0.000 0.965 349 S CB -0.301 62.920 63.200 0.035 0.000 0.773 349 S HN 0.384 nan 8.310 nan 0.000 0.504 350 S N 0.648 116.296 115.700 -0.087 0.000 2.561 350 S HA 0.168 4.610 4.470 -0.046 0.000 0.225 350 S C 0.529 175.084 174.600 -0.075 0.000 0.977 350 S CA -0.199 57.938 58.200 -0.106 0.000 0.926 350 S CB -0.276 62.819 63.200 -0.176 0.000 0.769 350 S HN 0.239 nan 8.310 nan 0.000 0.533 351 K N 2.794 123.161 120.400 -0.055 0.000 2.205 351 K HA 0.384 4.676 4.320 -0.046 0.000 0.279 351 K C -0.046 176.537 176.600 -0.028 0.000 1.027 351 K CA -0.187 56.074 56.287 -0.044 0.000 0.932 351 K CB 1.243 33.717 32.500 -0.043 0.000 1.032 351 K HN 0.167 nan 8.250 nan 0.000 0.466 352 S N 0.863 116.545 115.700 -0.029 0.000 2.810 352 S HA 0.073 4.515 4.470 -0.046 0.000 0.329 352 S C 1.383 175.977 174.600 -0.011 0.000 1.231 352 S CA 1.330 59.517 58.200 -0.023 0.000 1.042 352 S CB -0.169 63.017 63.200 -0.024 0.000 0.756 352 S HN 0.854 nan 8.310 nan 0.000 0.504 353 G N 3.478 112.276 108.800 -0.004 0.000 2.234 353 G HA2 -0.238 3.695 3.960 -0.046 0.000 0.235 353 G HA3 -0.238 3.695 3.960 -0.046 0.000 0.235 353 G C 0.471 175.410 174.900 0.064 0.000 0.997 353 G CA 0.039 45.148 45.100 0.014 0.000 0.623 353 G HN 0.622 nan 8.290 nan 0.000 0.514 354 N N 0.817 119.565 118.700 0.079 0.000 2.235 354 N HA 0.260 4.972 4.740 -0.046 0.000 0.209 354 N C 1.480 177.070 175.510 0.133 0.000 1.122 354 N CA 0.659 53.842 53.050 0.223 0.000 0.845 354 N CB 0.325 38.906 38.487 0.157 0.000 1.004 354 N HN 0.520 nan 8.380 nan 0.000 0.499 355 E N 1.110 121.306 120.200 -0.007 0.000 2.160 355 E HA -0.079 4.243 4.350 -0.046 0.000 0.195 355 E C 1.760 178.275 176.600 -0.142 0.000 0.991 355 E CA 1.105 57.468 56.400 -0.061 0.000 0.810 355 E CB -0.139 29.520 29.700 -0.069 0.000 0.742 355 E HN 0.330 nan 8.360 nan 0.000 0.466 356 A N -0.174 122.450 122.820 -0.327 0.000 2.121 356 A HA -0.069 4.223 4.320 -0.046 0.000 0.218 356 A C 1.055 178.295 177.584 -0.573 0.000 1.154 356 A CA 0.632 52.364 52.037 -0.509 0.000 0.679 356 A CB -0.417 18.148 19.000 -0.725 0.000 0.795 356 A HN 0.213 nan 8.150 nan 0.000 0.458 357 F N -0.171 119.751 119.950 -0.047 0.000 2.660 357 F HA 0.482 4.972 4.527 -0.061 0.000 0.302 357 F C 1.151 176.932 175.800 -0.032 0.000 1.103 357 F CA -0.212 57.752 58.000 -0.060 0.000 1.340 357 F CB -0.257 38.675 39.000 -0.113 0.000 1.048 357 F HN 0.179 nan 8.300 nan 0.000 0.551 358 A N -0.431 122.427 122.820 0.063 0.000 2.303 358 A HA 0.619 4.911 4.320 -0.046 0.000 0.317 358 A C 1.306 178.936 177.584 0.077 0.000 1.149 358 A CA 0.082 52.160 52.037 0.070 0.000 0.822 358 A CB 0.305 19.319 19.000 0.023 0.000 1.131 358 A HN 0.719 nan 8.150 nan 0.000 0.493 359 G N 0.248 109.120 108.800 0.120 0.000 2.143 359 G HA2 -0.211 3.721 3.960 -0.046 0.000 0.248 359 G HA3 -0.211 3.721 3.960 -0.046 0.000 0.248 359 G C 0.437 175.409 174.900 0.121 0.000 0.991 359 G CA 0.694 45.866 45.100 0.121 0.000 0.689 359 G HN 0.656 nan 8.290 nan 0.000 0.522 360 Q N -0.488 119.401 119.800 0.149 0.000 2.316 360 Q HA 0.243 4.555 4.340 -0.046 0.000 0.235 360 Q C 1.606 177.639 176.000 0.055 0.000 0.863 360 Q CA 0.697 56.571 55.803 0.118 0.000 0.939 360 Q CB 0.456 29.277 28.738 0.138 0.000 1.108 360 Q HN 0.688 nan 8.270 nan 0.000 0.522 361 G N 1.485 110.334 108.800 0.083 0.000 2.527 361 G HA2 0.265 4.197 3.960 -0.046 0.000 0.248 361 G HA3 0.265 4.197 3.960 -0.046 0.000 0.248 361 G C -0.055 174.417 174.900 -0.714 0.000 1.231 361 G CA -0.230 44.630 45.100 -0.399 0.000 0.838 361 G HN 0.026 nan 8.290 nan 0.000 0.570 362 N N -1.055 117.039 118.700 -1.010 0.000 2.447 362 N HA 0.246 4.958 4.740 -0.046 0.000 0.271 362 N C 0.755 175.431 175.510 -1.391 0.000 1.226 362 N CA -0.639 51.769 53.050 -1.070 0.000 0.980 362 N CB 0.497 38.520 38.487 -0.774 0.000 1.206 362 N HN 0.467 nan 8.380 nan 0.000 0.558 363 H N 0.215 118.811 119.070 -0.791 0.000 2.787 363 H HA 0.170 4.701 4.556 -0.042 0.000 0.302 363 H C -0.427 174.658 175.328 -0.405 0.000 1.098 363 H CA 0.220 55.916 56.048 -0.585 0.000 1.192 363 H CB -1.016 28.484 29.762 -0.437 0.000 1.316 363 H HN 0.434 nan 8.280 nan 0.000 0.590 364 N N 0.187 118.607 118.700 -0.468 0.000 3.348 364 N HA 0.252 4.964 4.740 -0.046 0.000 0.233 364 N C -1.385 173.749 175.510 -0.626 0.000 1.440 364 N CA -0.742 52.041 53.050 -0.445 0.000 0.887 364 N CB 1.762 40.022 38.487 -0.378 0.000 1.410 364 N HN 0.005 nan 8.380 nan 0.000 0.502 365 L N -3.134 117.660 121.223 -0.716 0.000 2.502 365 L HA 0.883 5.195 4.340 -0.046 0.000 0.253 365 L C -0.703 175.573 176.870 -0.990 0.000 1.070 365 L CA -0.705 53.728 54.840 -0.679 0.000 0.871 365 L CB 1.389 43.204 42.059 -0.407 0.000 1.487 365 L HN 0.654 nan 8.230 nan 0.000 0.408 366 S N -0.039 115.299 115.700 -0.603 0.000 2.634 366 S HA 0.897 5.339 4.470 -0.046 0.000 0.296 366 S C -0.821 173.742 174.600 -0.061 0.000 1.104 366 S CA -0.484 57.468 58.200 -0.413 0.000 0.920 366 S CB 1.730 64.827 63.200 -0.172 0.000 1.111 366 S HN 0.564 nan 8.310 nan 0.000 0.493 367 I N 1.357 122.061 120.570 0.223 0.000 2.512 367 I HA 0.738 4.880 4.170 -0.046 0.000 0.287 367 I C -0.530 175.711 176.117 0.207 0.000 1.069 367 I CA -0.398 61.031 61.300 0.215 0.000 1.056 367 I CB 1.740 39.902 38.000 0.270 0.000 1.229 367 I HN 0.771 nan 8.210 nan 0.000 0.429 368 A N 3.700 126.608 122.820 0.147 0.000 2.605 368 A HA 0.503 4.796 4.320 -0.046 0.000 0.294 368 A C -1.675 175.973 177.584 0.108 0.000 1.062 368 A CA -0.616 51.496 52.037 0.124 0.000 0.682 368 A CB 1.714 20.782 19.000 0.114 0.000 1.278 368 A HN 0.640 nan 8.150 nan 0.000 0.410 369 D N 1.580 122.036 120.400 0.094 0.000 2.359 369 D HA 0.286 4.899 4.640 -0.046 0.000 0.250 369 D C 1.183 177.533 176.300 0.082 0.000 1.264 369 D CA 0.621 54.672 54.000 0.085 0.000 0.911 369 D CB 0.846 41.686 40.800 0.067 0.000 1.056 369 D HN 0.781 nan 8.370 nan 0.000 0.499 370 V N 1.298 121.264 119.914 0.087 0.000 3.307 370 V HA 0.103 4.195 4.120 -0.046 0.000 0.253 370 V C 1.062 177.202 176.094 0.077 0.000 1.149 370 V CA 0.998 63.347 62.300 0.082 0.000 1.112 370 V CB -0.073 31.805 31.823 0.092 0.000 0.777 370 V HN 0.438 nan 8.190 nan 0.000 0.464 371 D N 0.172 120.620 120.400 0.080 0.000 2.369 371 D HA 0.290 4.902 4.640 -0.046 0.000 0.211 371 D C 1.648 177.984 176.300 0.060 0.000 1.077 371 D CA 0.589 54.633 54.000 0.073 0.000 0.842 371 D CB 0.281 41.131 40.800 0.084 0.000 0.947 371 D HN 0.828 nan 8.370 nan 0.000 0.509 372 G N 1.714 110.548 108.800 0.057 0.000 2.159 372 G HA2 -0.305 3.627 3.960 -0.046 0.000 0.256 372 G HA3 -0.305 3.627 3.960 -0.046 0.000 0.256 372 G C 0.537 175.457 174.900 0.034 0.000 0.977 372 G CA 0.466 45.593 45.100 0.046 0.000 0.652 372 G HN 0.529 nan 8.290 nan 0.000 0.531 373 D N -0.243 120.175 120.400 0.030 0.000 2.340 373 D HA 0.374 4.986 4.640 -0.046 0.000 0.220 373 D C 1.905 178.194 176.300 -0.017 0.000 1.039 373 D CA 0.870 54.872 54.000 0.003 0.000 0.866 373 D CB -0.529 40.268 40.800 -0.005 0.000 0.913 373 D HN 1.567 nan 8.370 nan 0.000 0.523 374 G N -0.115 108.687 108.800 0.004 0.000 2.253 374 G HA2 -0.305 3.627 3.960 -0.046 0.000 0.251 374 G HA3 -0.305 3.627 3.960 -0.046 0.000 0.251 374 G C 0.215 175.125 174.900 0.016 0.000 0.998 374 G CA 0.285 45.392 45.100 0.010 0.000 0.621 374 G HN 0.506 nan 8.290 nan 0.000 0.524 375 K N 0.994 121.383 120.400 -0.019 0.000 2.098 375 K HA 0.516 4.808 4.320 -0.046 0.000 0.258 375 K C -0.956 175.694 176.600 0.084 0.000 0.973 375 K CA -0.897 55.386 56.287 -0.007 0.000 0.898 375 K CB 1.098 33.446 32.500 -0.252 0.000 1.057 375 K HN 0.056 nan 8.250 nan 0.000 0.447 376 D N 2.256 122.749 120.400 0.156 0.000 2.304 376 D HA 0.133 4.746 4.640 -0.046 0.000 0.250 376 D C -0.228 176.189 176.300 0.195 0.000 1.107 376 D CA -0.038 54.066 54.000 0.173 0.000 0.885 376 D CB 1.324 42.245 40.800 0.202 0.000 1.192 376 D HN 0.335 nan 8.370 nan 0.000 0.436 377 E N 0.498 120.788 120.200 0.151 0.000 2.243 377 E HA 0.569 4.891 4.350 -0.046 0.000 0.260 377 E C -0.355 176.305 176.600 0.100 0.000 0.985 377 E CA -0.640 55.828 56.400 0.113 0.000 0.858 377 E CB 1.578 31.322 29.700 0.074 0.000 1.210 377 E HN 0.285 nan 8.360 nan 0.000 0.411 378 I N 1.808 122.413 120.570 0.058 0.000 2.389 378 I HA 0.266 4.408 4.170 -0.046 0.000 0.288 378 I C -0.726 175.399 176.117 0.012 0.000 0.999 378 I CA -0.702 60.636 61.300 0.064 0.000 1.129 378 I CB 1.015 39.080 38.000 0.107 0.000 1.288 378 I HN 0.208 nan 8.210 nan 0.000 0.444 379 I N 6.760 127.327 120.570 -0.005 0.000 2.291 379 I HA 0.137 4.279 4.170 -0.046 0.000 0.292 379 I C -0.450 175.636 176.117 -0.053 0.000 1.064 379 I CA -0.100 61.174 61.300 -0.044 0.000 1.269 379 I CB 0.137 38.095 38.000 -0.070 0.000 1.418 379 I HN 0.472 nan 8.210 nan 0.000 0.485 380 F N 6.455 126.299 119.950 -0.178 0.000 2.334 380 F HA 0.544 5.043 4.527 -0.047 0.000 0.343 380 F C 1.139 176.830 175.800 -0.182 0.000 1.136 380 F CA 0.171 58.066 58.000 -0.175 0.000 1.237 380 F CB 0.214 39.145 39.000 -0.116 0.000 1.525 380 F HN 0.761 nan 8.300 nan 0.000 0.528 381 G N 1.990 110.577 108.800 -0.354 0.000 2.602 381 G HA2 -0.378 3.554 3.960 -0.046 0.000 0.310 381 G HA3 -0.378 3.554 3.960 -0.046 0.000 0.310 381 G C 1.119 175.945 174.900 -0.124 0.000 1.183 381 G CA 0.431 45.335 45.100 -0.326 0.000 0.979 381 G HN 0.450 nan 8.290 nan 0.000 0.545 382 S N 1.479 117.164 115.700 -0.025 0.000 2.593 382 S HA 0.347 4.789 4.470 -0.046 0.000 0.217 382 S C 1.020 175.698 174.600 0.130 0.000 0.966 382 S CA 1.416 59.667 58.200 0.084 0.000 0.914 382 S CB -0.351 62.911 63.200 0.104 0.000 0.776 382 S HN 0.743 nan 8.310 nan 0.000 0.523 383 M N -0.228 119.423 119.600 0.085 0.000 2.796 383 M HA 0.895 5.347 4.480 -0.046 0.000 0.303 383 M C -1.330 174.833 176.300 -0.228 0.000 1.240 383 M CA -1.080 54.214 55.300 -0.009 0.000 0.831 383 M CB 1.863 34.562 32.600 0.165 0.000 1.750 383 M HN -0.106 nan 8.290 nan 0.000 0.484 384 A N 0.957 123.440 122.820 -0.563 0.000 2.475 384 A HA 0.803 5.095 4.320 -0.046 0.000 0.301 384 A C -1.472 175.860 177.584 -0.420 0.000 1.059 384 A CA -0.727 50.999 52.037 -0.518 0.000 0.710 384 A CB 2.052 20.563 19.000 -0.816 0.000 1.288 384 A HN 0.688 nan 8.150 nan 0.000 0.408 385 V N 1.946 121.677 119.914 -0.305 0.000 2.588 385 V HA 0.350 4.442 4.120 -0.046 0.000 0.304 385 V C -0.414 175.505 176.094 -0.291 0.000 1.042 385 V CA -0.677 61.397 62.300 -0.377 0.000 0.877 385 V CB 1.762 33.368 31.823 -0.362 0.000 0.996 385 V HN 0.998 nan 8.190 nan 0.000 0.425 386 D N 1.905 122.079 120.400 -0.378 0.000 2.371 386 D HA 0.084 4.696 4.640 -0.046 0.000 0.242 386 D C 1.567 177.669 176.300 -0.329 0.000 1.218 386 D CA -0.128 53.687 54.000 -0.309 0.000 0.945 386 D CB 0.713 41.277 40.800 -0.392 0.000 1.137 386 D HN 0.809 nan 8.370 nan 0.000 0.464 387 H N 0.368 119.385 119.070 -0.088 0.000 2.518 387 H HA -0.102 4.428 4.556 -0.043 0.000 0.289 387 H C 0.160 175.511 175.328 0.038 0.000 1.051 387 H CA 1.239 57.316 56.048 0.049 0.000 1.280 387 H CB 0.095 29.905 29.762 0.081 0.000 1.380 387 H HN 0.309 nan 8.280 nan 0.000 0.566 388 D N -0.895 119.071 120.400 -0.724 0.000 2.363 388 D HA 0.152 4.764 4.640 -0.046 0.000 0.214 388 D C 1.569 177.033 176.300 -1.393 0.000 1.093 388 D CA 0.304 53.902 54.000 -0.670 0.000 0.837 388 D CB -0.077 40.396 40.800 -0.544 0.000 0.948 388 D HN 0.515 nan 8.370 nan 0.000 0.507 389 G N 0.232 107.852 108.800 -1.966 0.000 2.176 389 G HA2 -0.259 3.673 3.960 -0.046 0.000 0.253 389 G HA3 -0.259 3.673 3.960 -0.046 0.000 0.253 389 G C 0.085 174.309 174.900 -1.127 0.000 0.979 389 G CA -0.129 43.546 45.100 -2.374 0.000 0.641 389 G HN 0.282 nan 8.290 nan 0.000 0.530 390 K N 1.240 121.145 120.400 -0.825 0.000 2.205 390 K HA 0.510 4.803 4.320 -0.046 0.000 0.279 390 K C 1.007 177.217 176.600 -0.651 0.000 1.027 390 K CA 0.116 56.043 56.287 -0.599 0.000 0.932 390 K CB 1.073 33.316 32.500 -0.428 0.000 1.032 390 K HN 0.420 nan 8.250 nan 0.000 0.466 391 G N 2.646 110.937 108.800 -0.848 0.000 2.340 391 G HA2 0.058 3.990 3.960 -0.046 0.000 0.245 391 G HA3 0.058 3.990 3.960 -0.046 0.000 0.245 391 G C 0.777 175.363 174.900 -0.524 0.000 1.294 391 G CA -0.179 44.128 45.100 -1.322 0.000 0.896 391 G HN 0.568 nan 8.290 nan 0.000 0.522 392 M N 1.633 121.048 119.600 -0.308 0.000 2.384 392 M HA 0.231 4.683 4.480 -0.046 0.000 0.258 392 M C 0.310 176.747 176.300 0.228 0.000 1.130 392 M CA 0.981 56.255 55.300 -0.043 0.000 1.187 392 M CB 0.181 32.728 32.600 -0.088 0.000 1.307 392 M HN 0.743 nan 8.290 nan 0.000 0.468 393 Y N -3.063 117.390 120.300 0.255 0.000 2.689 393 Y HA 0.708 5.231 4.550 -0.045 0.000 0.333 393 Y C -1.086 174.936 175.900 0.203 0.000 1.208 393 Y CA -1.949 56.267 58.100 0.193 0.000 1.055 393 Y CB 1.060 39.565 38.460 0.074 0.000 1.304 393 Y HN -0.116 nan 8.280 nan 0.000 0.455 394 S N -0.088 115.782 115.700 0.284 0.000 2.571 394 S HA 0.367 4.809 4.470 -0.046 0.000 0.284 394 S C 0.371 175.076 174.600 0.175 0.000 1.128 394 S CA -0.003 58.297 58.200 0.166 0.000 0.970 394 S CB 1.206 64.349 63.200 -0.095 0.000 1.039 394 S HN 1.245 nan 8.310 nan 0.000 0.485 395 T N 1.408 116.072 114.554 0.183 0.000 3.085 395 T HA 0.244 4.566 4.350 -0.046 0.000 0.263 395 T C 1.613 176.315 174.700 0.002 0.000 1.127 395 T CA 1.084 63.228 62.100 0.074 0.000 1.103 395 T CB -0.603 68.302 68.868 0.063 0.000 0.921 395 T HN 1.891 nan 8.240 nan 0.000 0.510 396 G N 1.223 110.019 108.800 -0.008 0.000 2.184 396 G HA2 -0.261 3.671 3.960 -0.046 0.000 0.264 396 G HA3 -0.261 3.671 3.960 -0.046 0.000 0.264 396 G C 0.672 175.531 174.900 -0.068 0.000 0.975 396 G CA 0.460 45.534 45.100 -0.044 0.000 0.642 396 G HN 0.579 nan 8.290 nan 0.000 0.536 397 L N 0.553 121.715 121.223 -0.101 0.000 2.554 397 L HA 0.414 4.726 4.340 -0.046 0.000 0.226 397 L C 1.904 178.702 176.870 -0.121 0.000 1.137 397 L CA 0.709 55.401 54.840 -0.247 0.000 0.863 397 L CB -0.518 41.164 42.059 -0.628 0.000 0.985 397 L HN 1.093 nan 8.230 nan 0.000 0.451 398 G N -0.324 108.482 108.800 0.011 0.000 2.741 398 G HA2 -0.350 3.582 3.960 -0.046 0.000 0.222 398 G HA3 -0.350 3.582 3.960 -0.046 0.000 0.222 398 G C -0.357 174.620 174.900 0.128 0.000 1.364 398 G CA -0.125 45.025 45.100 0.085 0.000 0.866 398 G HN 0.457 nan 8.290 nan 0.000 0.555 399 H N 0.462 119.534 119.070 0.002 0.000 2.897 399 H HA 0.517 5.044 4.556 -0.049 0.000 0.347 399 H C 0.867 176.123 175.328 -0.119 0.000 1.068 399 H CA 1.966 57.931 56.048 -0.139 0.000 1.426 399 H CB 0.591 30.262 29.762 -0.152 0.000 1.410 399 H HN 1.366 nan 8.280 nan 0.000 0.597 400 G N 2.642 110.783 108.800 -1.099 0.000 2.727 400 G HA2 0.243 4.175 3.960 -0.046 0.000 0.289 400 G HA3 0.243 4.175 3.960 -0.046 0.000 0.289 400 G C -0.703 173.683 174.900 -0.857 0.000 1.418 400 G CA -0.555 44.029 45.100 -0.860 0.000 0.818 400 G HN 0.600 nan 8.290 nan 0.000 0.486 401 D N -0.640 119.531 120.400 -0.381 0.000 2.449 401 D HA 0.488 5.100 4.640 -0.046 0.000 0.210 401 D C 0.843 177.098 176.300 -0.075 0.000 1.094 401 D CA 0.826 54.808 54.000 -0.029 0.000 0.846 401 D CB 1.225 42.125 40.800 0.167 0.000 1.003 401 D HN 0.625 nan 8.370 nan 0.000 0.504 402 A N 0.209 122.888 122.820 -0.235 0.000 2.556 402 A HA 0.771 5.063 4.320 -0.046 0.000 0.294 402 A C -1.918 175.441 177.584 -0.375 0.000 1.091 402 A CA -0.554 51.340 52.037 -0.240 0.000 0.704 402 A CB 1.665 20.592 19.000 -0.121 0.000 1.300 402 A HN 0.038 nan 8.150 nan 0.000 0.406 403 L N 1.397 122.337 121.223 -0.472 0.000 2.592 403 L HA 0.585 4.897 4.340 -0.046 0.000 0.258 403 L C -1.865 174.603 176.870 -0.669 0.000 0.926 403 L CA -0.003 54.545 54.840 -0.486 0.000 0.885 403 L CB 1.994 43.763 42.059 -0.484 0.000 1.380 403 L HN 0.819 nan 8.230 nan 0.000 0.415 404 H N 3.142 122.106 119.070 -0.177 0.000 2.924 404 H HA 0.520 5.048 4.556 -0.046 0.000 0.333 404 H C -1.163 173.997 175.328 -0.280 0.000 0.979 404 H CA -0.590 55.354 56.048 -0.173 0.000 1.326 404 H CB 2.076 31.782 29.762 -0.094 0.000 1.600 404 H HN 0.496 nan 8.280 nan 0.000 0.520 405 T N 2.618 117.054 114.554 -0.198 0.000 2.815 405 T HA 0.620 4.942 4.350 -0.046 0.000 0.289 405 T C 0.501 175.110 174.700 -0.151 0.000 1.000 405 T CA -0.618 61.393 62.100 -0.148 0.000 0.958 405 T CB 1.756 70.592 68.868 -0.053 0.000 0.944 405 T HN 0.863 nan 8.240 nan 0.000 0.442 406 G N 1.409 110.124 108.800 -0.142 0.000 2.490 406 G HA2 0.422 4.354 3.960 -0.046 0.000 0.308 406 G HA3 0.422 4.354 3.960 -0.046 0.000 0.308 406 G C -1.809 173.109 174.900 0.030 0.000 1.286 406 G CA -0.684 44.400 45.100 -0.027 0.000 0.825 406 G HN 0.440 nan 8.290 nan 0.000 0.479 407 D N 0.934 121.409 120.400 0.126 0.000 2.483 407 D HA 0.319 4.931 4.640 -0.046 0.000 0.220 407 D C 1.621 178.061 176.300 0.233 0.000 1.173 407 D CA -0.272 53.832 54.000 0.173 0.000 0.964 407 D CB 0.241 41.184 40.800 0.238 0.000 1.046 407 D HN 0.268 nan 8.370 nan 0.000 0.517 408 L N 1.072 122.390 121.223 0.158 0.000 2.162 408 L HA 0.101 4.413 4.340 -0.046 0.000 0.205 408 L C 0.906 177.927 176.870 0.252 0.000 1.086 408 L CA 0.551 55.533 54.840 0.236 0.000 0.778 408 L CB 0.055 42.236 42.059 0.204 0.000 0.928 408 L HN 0.209 nan 8.230 nan 0.000 0.446 409 D N 0.708 121.244 120.400 0.226 0.000 2.464 409 D HA 0.163 4.775 4.640 -0.046 0.000 0.243 409 D C -1.823 174.485 176.300 0.012 0.000 1.104 409 D CA -2.318 51.760 54.000 0.130 0.000 0.883 409 D CB 1.500 42.449 40.800 0.248 0.000 1.050 409 D HN -0.081 nan 8.370 nan 0.000 0.524 410 P HA 0.060 nan 4.420 nan 0.000 0.237 410 P C 1.113 178.371 177.300 -0.071 0.000 1.178 410 P CA 0.275 63.285 63.100 -0.149 0.000 0.766 410 P CB 0.379 31.800 31.700 -0.465 0.000 0.876 411 G N -0.484 108.280 108.800 -0.060 0.000 2.880 411 G HA2 -0.057 3.875 3.960 -0.046 0.000 0.209 411 G HA3 -0.057 3.875 3.960 -0.046 0.000 0.209 411 G C 0.806 175.716 174.900 0.016 0.000 1.157 411 G CA -0.183 44.905 45.100 -0.020 0.000 0.779 411 G HN 0.201 nan 8.290 nan 0.000 0.539 412 R N 0.898 121.420 120.500 0.036 0.000 2.360 412 R HA 0.373 4.685 4.340 -0.046 0.000 0.318 412 R C -2.838 173.496 176.300 0.056 0.000 0.950 412 R CA -1.875 54.259 56.100 0.056 0.000 0.837 412 R CB 1.686 32.040 30.300 0.091 0.000 1.165 412 R HN -0.084 nan 8.270 nan 0.000 0.458 413 P HA 0.113 nan 4.420 nan 0.000 0.264 413 P C -0.234 177.096 177.300 0.051 0.000 1.183 413 P CA 0.716 63.845 63.100 0.050 0.000 0.763 413 P CB 0.807 32.532 31.700 0.042 0.000 0.807 414 G N 1.310 110.144 108.800 0.058 0.000 2.525 414 G HA2 -0.081 3.851 3.960 -0.046 0.000 0.685 414 G HA3 -0.081 3.851 3.960 -0.046 0.000 0.685 414 G C -1.230 173.703 174.900 0.055 0.000 1.290 414 G CA -0.993 44.139 45.100 0.053 0.000 0.915 414 G HN 0.495 nan 8.290 nan 0.000 0.548 415 L N -0.067 121.182 121.223 0.042 0.000 2.416 415 L HA 0.788 5.100 4.340 -0.046 0.000 0.262 415 L C 0.454 177.302 176.870 -0.037 0.000 1.093 415 L CA -0.738 54.115 54.840 0.022 0.000 0.801 415 L CB 1.397 43.473 42.059 0.030 0.000 1.191 415 L HN 0.676 nan 8.230 nan 0.000 0.459 416 E N -0.099 120.037 120.200 -0.107 0.000 2.312 416 E HA 0.575 4.897 4.350 -0.046 0.000 0.267 416 E C -1.443 174.952 176.600 -0.342 0.000 0.894 416 E CA -0.558 55.670 56.400 -0.287 0.000 0.773 416 E CB 2.668 32.099 29.700 -0.448 0.000 1.241 416 E HN 0.135 nan 8.360 nan 0.000 0.432 417 V N 2.389 122.049 119.914 -0.424 0.000 2.444 417 V HA 0.427 4.519 4.120 -0.046 0.000 0.294 417 V C -1.197 174.667 176.094 -0.384 0.000 1.022 417 V CA -0.817 61.294 62.300 -0.315 0.000 0.850 417 V CB 0.934 32.646 31.823 -0.185 0.000 0.992 417 V HN 0.578 nan 8.190 nan 0.000 0.426 418 F N 4.574 124.279 119.950 -0.407 0.000 2.436 418 F HA 0.698 5.199 4.527 -0.043 0.000 0.340 418 F C -0.137 175.543 175.800 -0.200 0.000 1.113 418 F CA -0.089 57.731 58.000 -0.300 0.000 1.022 418 F CB 1.399 40.311 39.000 -0.148 0.000 1.128 418 F HN 0.569 nan 8.300 nan 0.000 0.466 419 Q N 5.249 124.471 119.800 -0.963 0.000 2.379 419 Q HA 0.676 4.988 4.340 -0.046 0.000 0.278 419 Q C -1.792 173.575 176.000 -1.055 0.000 1.068 419 Q CA -0.983 54.316 55.803 -0.839 0.000 0.816 419 Q CB 2.669 31.064 28.738 -0.571 0.000 1.387 419 Q HN 0.678 nan 8.270 nan 0.000 0.413 420 V N -0.736 118.638 119.914 -0.901 0.000 2.994 420 V HA 0.705 4.798 4.120 -0.046 0.000 0.318 420 V C -0.933 174.624 176.094 -0.894 0.000 1.085 420 V CA -0.546 61.323 62.300 -0.718 0.000 0.998 420 V CB 1.976 33.568 31.823 -0.386 0.000 1.063 420 V HN 0.814 nan 8.190 nan 0.000 0.447 421 H N 0.932 119.899 119.070 -0.172 0.000 2.637 421 H HA 0.455 4.982 4.556 -0.048 0.000 0.363 421 H C 0.088 175.376 175.328 -0.066 0.000 1.131 421 H CA -0.209 55.760 56.048 -0.131 0.000 1.183 421 H CB 2.834 32.549 29.762 -0.078 0.000 1.637 421 H HN 0.967 nan 8.280 nan 0.000 0.531 422 E N 1.093 121.335 120.200 0.070 0.000 2.276 422 E HA -0.078 4.244 4.350 -0.046 0.000 0.193 422 E C -0.185 176.494 176.600 0.131 0.000 0.983 422 E CA -0.002 56.467 56.400 0.116 0.000 0.861 422 E CB 0.475 30.317 29.700 0.236 0.000 0.817 422 E HN 0.429 nan 8.360 nan 0.000 0.485 423 D N 1.169 121.649 120.400 0.133 0.000 2.358 423 D HA -0.060 4.552 4.640 -0.046 0.000 0.258 423 D C 0.904 177.246 176.300 0.071 0.000 1.223 423 D CA 0.105 54.167 54.000 0.102 0.000 0.886 423 D CB 1.043 41.898 40.800 0.091 0.000 1.120 423 D HN 0.180 nan 8.370 nan 0.000 0.482 424 K N 2.519 122.954 120.400 0.058 0.000 2.360 424 K HA -0.141 4.151 4.320 -0.046 0.000 0.201 424 K C 0.435 177.069 176.600 0.056 0.000 1.046 424 K CA 1.104 57.411 56.287 0.032 0.000 0.945 424 K CB -0.124 32.397 32.500 0.034 0.000 0.750 424 K HN 0.305 nan 8.250 nan 0.000 0.464 425 N N 0.644 119.392 118.700 0.080 0.000 2.230 425 N HA 0.145 4.857 4.740 -0.046 0.000 0.202 425 N C -0.418 175.154 175.510 0.103 0.000 1.119 425 N CA -0.228 52.890 53.050 0.114 0.000 0.851 425 N CB 0.780 39.310 38.487 0.072 0.000 0.990 425 N HN 0.258 nan 8.380 nan 0.000 0.497 426 A N 1.286 124.150 122.820 0.072 0.000 2.498 426 A HA -0.011 4.281 4.320 -0.046 0.000 0.239 426 A C 1.458 179.076 177.584 0.056 0.000 1.068 426 A CA -0.035 52.010 52.037 0.013 0.000 0.766 426 A CB 0.351 19.334 19.000 -0.028 0.000 1.003 426 A HN 0.279 nan 8.150 nan 0.000 0.497 427 K N 0.494 120.832 120.400 -0.104 0.000 2.113 427 K HA -0.155 4.137 4.320 -0.046 0.000 0.208 427 K C -0.736 175.708 176.600 -0.260 0.000 1.047 427 K CA 1.436 57.562 56.287 -0.269 0.000 0.928 427 K CB -0.199 31.979 32.500 -0.538 0.000 0.716 427 K HN 0.678 nan 8.250 nan 0.000 0.446 428 Y N -1.753 118.578 120.300 0.051 0.000 2.442 428 Y HA 0.367 4.888 4.550 -0.047 0.000 0.344 428 Y C 0.918 176.837 175.900 0.032 0.000 0.976 428 Y CA -1.030 57.106 58.100 0.059 0.000 1.040 428 Y CB 2.032 40.487 38.460 -0.008 0.000 1.228 428 Y HN -0.056 nan 8.280 nan 0.000 0.451 429 G N 1.844 110.778 108.800 0.223 0.000 2.603 429 G HA2 0.215 4.147 3.960 -0.046 0.000 0.214 429 G HA3 0.215 4.147 3.960 -0.046 0.000 0.214 429 G C -0.123 174.883 174.900 0.176 0.000 1.140 429 G CA 0.130 45.324 45.100 0.157 0.000 0.800 429 G HN 0.461 nan 8.290 nan 0.000 0.533 430 L N -0.583 120.739 121.223 0.166 0.000 2.436 430 L HA 0.786 5.099 4.340 -0.046 0.000 0.268 430 L C -0.801 176.014 176.870 -0.091 0.000 0.974 430 L CA -1.040 53.787 54.840 -0.021 0.000 0.826 430 L CB 2.384 44.477 42.059 0.057 0.000 1.291 430 L HN -0.054 nan 8.230 nan 0.000 0.406 431 S N 1.436 117.006 115.700 -0.216 0.000 2.536 431 S HA 0.798 5.240 4.470 -0.046 0.000 0.287 431 S C -1.171 173.229 174.600 -0.333 0.000 1.101 431 S CA -0.564 57.472 58.200 -0.274 0.000 0.950 431 S CB 2.073 65.266 63.200 -0.011 0.000 1.056 431 S HN 0.627 nan 8.310 nan 0.000 0.481 432 F N 3.167 122.699 119.950 -0.697 0.000 2.499 432 F HA 0.657 5.156 4.527 -0.045 0.000 0.333 432 F C -0.209 175.324 175.800 -0.445 0.000 1.138 432 F CA -0.589 57.025 58.000 -0.643 0.000 0.945 432 F CB 1.330 39.476 39.000 -1.423 0.000 1.181 432 F HN 0.959 nan 8.300 nan 0.000 0.435 433 R N 3.697 123.959 120.500 -0.397 0.000 2.808 433 R HA 0.385 4.697 4.340 -0.046 0.000 0.272 433 R C -1.436 174.727 176.300 -0.229 0.000 0.995 433 R CA -1.013 54.948 56.100 -0.232 0.000 0.917 433 R CB 1.453 31.634 30.300 -0.199 0.000 1.217 433 R HN 0.467 nan 8.270 nan 0.000 0.471 434 D N 1.200 121.509 120.400 -0.151 0.000 2.412 434 D HA 0.035 4.647 4.640 -0.046 0.000 0.257 434 D C 0.917 177.132 176.300 -0.140 0.000 1.217 434 D CA 0.491 54.419 54.000 -0.121 0.000 0.897 434 D CB 1.603 42.340 40.800 -0.104 0.000 1.132 434 D HN 0.632 nan 8.370 nan 0.000 0.493 435 A N 4.199 126.976 122.820 -0.073 0.000 1.972 435 A HA -0.083 4.209 4.320 -0.046 0.000 0.219 435 A C 2.031 179.696 177.584 0.135 0.000 1.169 435 A CA 1.879 53.927 52.037 0.017 0.000 0.635 435 A CB -0.251 18.758 19.000 0.014 0.000 0.810 435 A HN 0.656 nan 8.150 nan 0.000 0.446 436 A N -0.965 121.898 122.820 0.072 0.000 1.935 436 A HA 0.075 4.367 4.320 -0.046 0.000 0.214 436 A C 2.316 179.975 177.584 0.126 0.000 1.178 436 A CA 2.065 54.183 52.037 0.135 0.000 0.640 436 A CB -0.712 18.333 19.000 0.075 0.000 0.825 436 A HN 0.724 nan 8.150 nan 0.000 0.447 437 T N -5.554 108.934 114.554 -0.109 0.000 3.015 437 T HA 0.408 4.730 4.350 -0.046 0.000 0.250 437 T C 1.496 175.771 174.700 -0.708 0.000 1.057 437 T CA 1.186 63.160 62.100 -0.210 0.000 1.066 437 T CB 0.311 69.103 68.868 -0.127 0.000 0.959 437 T HN 1.654 nan 8.240 nan 0.000 0.488 438 G N 1.835 109.972 108.800 -1.105 0.000 2.179 438 G HA2 -0.283 3.649 3.960 -0.046 0.000 0.260 438 G HA3 -0.283 3.649 3.960 -0.046 0.000 0.260 438 G C 0.107 174.699 174.900 -0.514 0.000 0.977 438 G CA 0.281 44.561 45.100 -1.366 0.000 0.641 438 G HN 0.805 nan 8.290 nan 0.000 0.533 439 K N 1.324 121.530 120.400 -0.323 0.000 2.472 439 K HA 0.143 4.435 4.320 -0.046 0.000 0.280 439 K C 0.722 177.253 176.600 -0.114 0.000 1.028 439 K CA -0.320 55.874 56.287 -0.154 0.000 1.045 439 K CB -0.051 32.393 32.500 -0.094 0.000 0.902 439 K HN 0.167 nan 8.250 nan 0.000 0.478 440 I N 7.422 127.956 120.570 -0.060 0.000 2.517 440 I HA -0.087 4.055 4.170 -0.046 0.000 0.285 440 I C 1.567 177.679 176.117 -0.008 0.000 1.106 440 I CA 0.225 61.495 61.300 -0.049 0.000 1.402 440 I CB 0.209 38.216 38.000 0.012 0.000 1.399 440 I HN 0.666 nan 8.210 nan 0.000 0.535 441 L N 6.719 127.947 121.223 0.008 0.000 2.127 441 L HA 0.063 4.375 4.340 -0.046 0.000 0.203 441 L C 0.437 177.433 176.870 0.210 0.000 1.080 441 L CA 0.909 55.830 54.840 0.134 0.000 0.768 441 L CB -0.042 42.182 42.059 0.276 0.000 0.924 441 L HN 0.676 nan 8.230 nan 0.000 0.444 442 W N -1.415 119.867 121.300 -0.029 0.000 3.153 442 W HA 0.639 5.273 4.660 -0.042 0.000 0.316 442 W C -0.830 175.488 176.519 -0.334 0.000 1.255 442 W CA -0.985 56.258 57.345 -0.170 0.000 1.192 442 W CB 0.559 29.910 29.460 -0.180 0.000 1.400 442 W HN -0.137 nan 8.180 nan 0.000 0.568 443 G N 0.184 108.763 108.800 -0.368 0.000 2.692 443 G HA2 0.642 4.574 3.960 -0.046 0.000 0.291 443 G HA3 0.642 4.574 3.960 -0.046 0.000 0.291 443 G C -2.452 172.284 174.900 -0.274 0.000 1.423 443 G CA -0.801 43.783 45.100 -0.859 0.000 0.843 443 G HN 0.554 nan 8.290 nan 0.000 0.486 444 V N 0.935 120.862 119.914 0.021 0.000 2.577 444 V HA 0.343 4.436 4.120 -0.046 0.000 0.303 444 V C -0.868 175.475 176.094 0.414 0.000 1.042 444 V CA -0.917 61.552 62.300 0.281 0.000 0.872 444 V CB 1.466 33.425 31.823 0.225 0.000 0.998 444 V HN 0.784 nan 8.190 nan 0.000 0.423 445 Y N 4.068 124.568 120.300 0.332 0.000 2.526 445 Y HA 0.436 4.957 4.550 -0.049 0.000 0.330 445 Y C 0.889 176.891 175.900 0.170 0.000 1.156 445 Y CA 0.640 58.870 58.100 0.217 0.000 1.419 445 Y CB 1.437 39.978 38.460 0.135 0.000 1.250 445 Y HN 0.720 nan 8.280 nan 0.000 0.540 446 A N 3.837 126.347 122.820 -0.516 0.000 2.013 446 A HA 0.359 4.651 4.320 -0.046 0.000 0.204 446 A C 1.718 178.889 177.584 -0.688 0.000 1.262 446 A CA 0.490 52.280 52.037 -0.412 0.000 0.800 446 A CB -0.827 18.088 19.000 -0.143 0.000 0.909 446 A HN 1.715 nan 8.150 nan 0.000 0.472 447 G N 0.033 108.175 108.800 -1.097 0.000 2.153 447 G HA2 -0.289 3.643 3.960 -0.046 0.000 0.252 447 G HA3 -0.289 3.643 3.960 -0.046 0.000 0.252 447 G C 0.085 174.878 174.900 -0.178 0.000 0.994 447 G CA 1.153 45.919 45.100 -0.557 0.000 0.698 447 G HN 1.203 nan 8.290 nan 0.000 0.521 448 K N -1.099 119.209 120.400 -0.153 0.000 2.548 448 K HA 0.559 4.851 4.320 -0.046 0.000 0.282 448 K C -1.512 175.079 176.600 -0.015 0.000 1.006 448 K CA -0.978 55.281 56.287 -0.047 0.000 0.892 448 K CB 1.095 33.579 32.500 -0.027 0.000 1.499 448 K HN -0.069 nan 8.250 nan 0.000 0.433 449 D N 1.637 122.050 120.400 0.021 0.000 2.434 449 D HA 0.046 4.658 4.640 -0.046 0.000 0.252 449 D C -1.089 175.230 176.300 0.032 0.000 1.185 449 D CA 0.009 54.035 54.000 0.043 0.000 0.886 449 D CB 1.137 41.976 40.800 0.064 0.000 1.148 449 D HN 0.395 nan 8.370 nan 0.000 0.483 450 V N 5.149 125.077 119.914 0.023 0.000 2.294 450 V HA 0.534 4.626 4.120 -0.046 0.000 0.272 450 V C 1.166 177.256 176.094 -0.007 0.000 1.027 450 V CA -0.020 62.290 62.300 0.016 0.000 0.823 450 V CB 0.896 32.728 31.823 0.017 0.000 1.030 450 V HN 0.682 nan 8.190 nan 0.000 0.457 451 G N 6.847 115.656 108.800 0.016 0.000 2.623 451 G HA2 0.140 4.072 3.960 -0.046 0.000 0.214 451 G HA3 0.140 4.072 3.960 -0.046 0.000 0.214 451 G C 0.654 175.551 174.900 -0.005 0.000 1.138 451 G CA -0.089 45.021 45.100 0.016 0.000 0.794 451 G HN 0.522 nan 8.290 nan 0.000 0.535 452 R N -0.718 119.780 120.500 -0.002 0.000 2.725 452 R HA 0.652 4.964 4.340 -0.046 0.000 0.277 452 R C -0.789 175.509 176.300 -0.004 0.000 0.987 452 R CA -0.429 55.672 56.100 0.001 0.000 0.901 452 R CB 1.762 32.081 30.300 0.033 0.000 1.207 452 R HN 0.134 nan 8.270 nan 0.000 0.463 453 G N 1.408 110.199 108.800 -0.015 0.000 2.742 453 G HA2 0.610 4.542 3.960 -0.046 0.000 0.296 453 G HA3 0.610 4.542 3.960 -0.046 0.000 0.296 453 G C -1.221 173.652 174.900 -0.046 0.000 1.436 453 G CA -0.394 44.725 45.100 0.032 0.000 0.928 453 G HN 0.180 nan 8.290 nan 0.000 0.520 454 M N 0.462 119.771 119.600 -0.486 0.000 2.591 454 M HA 0.800 5.253 4.480 -0.046 0.000 0.306 454 M C -0.662 174.968 176.300 -1.116 0.000 1.190 454 M CA -0.921 53.734 55.300 -1.075 0.000 0.889 454 M CB 2.173 33.647 32.600 -1.878 0.000 1.728 454 M HN 0.912 nan 8.290 nan 0.000 0.458 455 A N 1.934 124.090 122.820 -1.106 0.000 2.359 455 A HA 0.954 5.246 4.320 -0.046 0.000 0.303 455 A C -1.297 176.174 177.584 -0.188 0.000 1.066 455 A CA -0.339 51.386 52.037 -0.520 0.000 0.730 455 A CB 1.259 20.061 19.000 -0.330 0.000 1.211 455 A HN 1.060 nan 8.150 nan 0.000 0.439 456 A N 1.880 124.722 122.820 0.036 0.000 2.582 456 A HA 0.578 4.870 4.320 -0.046 0.000 0.297 456 A C -1.565 176.168 177.584 0.247 0.000 1.059 456 A CA -0.549 51.582 52.037 0.156 0.000 0.705 456 A CB 1.000 20.094 19.000 0.157 0.000 1.279 456 A HN 0.775 nan 8.150 nan 0.000 0.404 457 D N 2.148 122.713 120.400 0.275 0.000 2.359 457 D HA 0.303 4.915 4.640 -0.046 0.000 0.250 457 D C 1.001 177.450 176.300 0.248 0.000 1.264 457 D CA 0.345 54.524 54.000 0.298 0.000 0.911 457 D CB 0.104 41.129 40.800 0.375 0.000 1.056 457 D HN 0.557 nan 8.370 nan 0.000 0.499 458 I N -0.209 120.485 120.570 0.207 0.000 4.288 458 I HA 0.386 4.528 4.170 -0.046 0.000 0.331 458 I C -0.016 176.264 176.117 0.272 0.000 1.322 458 I CA -0.313 61.123 61.300 0.227 0.000 1.149 458 I CB 0.694 38.734 38.000 0.066 0.000 1.112 458 I HN 0.019 nan 8.210 nan 0.000 0.403 459 D N 3.163 123.650 120.400 0.144 0.000 2.542 459 D HA 0.316 4.928 4.640 -0.046 0.000 0.252 459 D C -2.128 174.119 176.300 -0.088 0.000 1.222 459 D CA -1.933 52.061 54.000 -0.011 0.000 0.895 459 D CB 2.576 43.507 40.800 0.219 0.000 1.207 459 D HN -0.042 nan 8.370 nan 0.000 0.558 460 P HA 0.056 nan 4.420 nan 0.000 0.241 460 P C 0.834 178.068 177.300 -0.111 0.000 1.191 460 P CA 0.151 63.163 63.100 -0.148 0.000 0.771 460 P CB 0.481 32.079 31.700 -0.171 0.000 0.929 461 R N -1.291 119.118 120.500 -0.151 0.000 2.236 461 R HA 0.029 4.341 4.340 -0.046 0.000 0.208 461 R C 0.160 176.254 176.300 -0.342 0.000 1.036 461 R CA 0.728 56.708 56.100 -0.199 0.000 1.001 461 R CB -0.327 29.854 30.300 -0.197 0.000 0.896 461 R HN 0.289 nan 8.270 nan 0.000 0.464 462 Y N 0.616 120.896 120.300 -0.033 0.000 2.326 462 Y HA 0.321 4.844 4.550 -0.046 0.000 0.331 462 Y C -2.217 173.672 175.900 -0.018 0.000 0.962 462 Y CA -3.372 54.713 58.100 -0.026 0.000 1.167 462 Y CB 1.345 39.789 38.460 -0.026 0.000 1.148 462 Y HN -0.166 nan 8.280 nan 0.000 0.463 463 P HA 0.187 nan 4.420 nan 0.000 0.266 463 P C 0.486 177.760 177.300 -0.043 0.000 1.195 463 P CA 0.900 63.999 63.100 -0.002 0.000 0.768 463 P CB 0.704 32.372 31.700 -0.054 0.000 0.838 464 G N 2.128 110.828 108.800 -0.166 0.000 2.660 464 G HA2 -0.152 3.780 3.960 -0.046 0.000 0.247 464 G HA3 -0.152 3.780 3.960 -0.046 0.000 0.247 464 G C -1.180 173.857 174.900 0.229 0.000 1.328 464 G CA -0.865 44.094 45.100 -0.236 0.000 0.884 464 G HN 0.540 nan 8.290 nan 0.000 0.531 465 Q N 0.518 120.500 119.800 0.304 0.000 2.286 465 Q HA 0.464 4.776 4.340 -0.046 0.000 0.257 465 Q C -0.028 176.084 176.000 0.186 0.000 0.941 465 Q CA -0.346 55.644 55.803 0.312 0.000 0.912 465 Q CB 1.117 30.048 28.738 0.322 0.000 1.192 465 Q HN 0.509 nan 8.270 nan 0.000 0.410 466 E N 0.908 121.204 120.200 0.160 0.000 2.374 466 E HA 0.271 4.593 4.350 -0.046 0.000 0.260 466 E C -0.575 176.074 176.600 0.082 0.000 1.101 466 E CA -0.283 56.174 56.400 0.095 0.000 0.907 466 E CB 0.996 30.740 29.700 0.073 0.000 1.014 466 E HN 0.414 nan 8.360 nan 0.000 0.427 467 V N -1.156 118.769 119.914 0.017 0.000 2.962 467 V HA 0.887 4.980 4.120 -0.046 0.000 0.313 467 V C -1.569 174.594 176.094 0.116 0.000 1.099 467 V CA -1.073 61.064 62.300 -0.271 0.000 0.971 467 V CB 1.268 32.433 31.823 -1.096 0.000 1.028 467 V HN 0.818 nan 8.190 nan 0.000 0.430 468 W N 2.219 123.437 121.300 -0.136 0.000 3.127 468 W HA 1.009 5.643 4.660 -0.044 0.000 0.330 468 W C -0.825 175.844 176.519 0.250 0.000 1.187 468 W CA -0.519 56.869 57.345 0.073 0.000 1.198 468 W CB 1.386 30.795 29.460 -0.086 0.000 1.408 468 W HN 1.230 nan 8.180 nan 0.000 0.529 469 A N 2.851 125.970 122.820 0.499 0.000 2.599 469 A HA 0.536 4.829 4.320 -0.046 0.000 0.294 469 A C -0.163 177.615 177.584 0.324 0.000 1.055 469 A CA -0.494 51.759 52.037 0.359 0.000 0.683 469 A CB 1.123 20.333 19.000 0.349 0.000 1.278 469 A HN 1.425 nan 8.150 nan 0.000 0.412 470 N N -0.301 118.529 118.700 0.217 0.000 2.727 470 N HA -0.087 4.625 4.740 -0.046 0.000 0.249 470 N C 1.111 176.718 175.510 0.162 0.000 1.048 470 N CA 3.015 56.165 53.050 0.167 0.000 0.714 470 N CB -0.973 37.607 38.487 0.154 0.000 0.959 470 N HN 2.634 nan 8.380 nan 0.000 0.544 471 G N -2.921 105.973 108.800 0.158 0.000 2.176 471 G HA2 -0.237 3.695 3.960 -0.046 0.000 0.253 471 G HA3 -0.237 3.695 3.960 -0.046 0.000 0.253 471 G C -0.017 174.917 174.900 0.056 0.000 0.979 471 G CA 0.468 45.628 45.100 0.101 0.000 0.641 471 G HN 0.783 nan 8.290 nan 0.000 0.530 472 S N -0.658 115.088 115.700 0.076 0.000 2.542 472 S HA 0.747 5.189 4.470 -0.046 0.000 0.293 472 S C -0.699 173.790 174.600 -0.185 0.000 1.089 472 S CA -0.626 57.491 58.200 -0.138 0.000 0.961 472 S CB 2.332 65.361 63.200 -0.286 0.000 1.062 472 S HN 0.934 nan 8.310 nan 0.000 0.483 473 L N 3.120 124.116 121.223 -0.379 0.000 2.309 473 L HA 0.694 5.006 4.340 -0.046 0.000 0.282 473 L C -1.834 174.704 176.870 -0.554 0.000 1.036 473 L CA -0.136 54.527 54.840 -0.296 0.000 0.806 473 L CB 0.470 42.319 42.059 -0.350 0.000 1.220 473 L HN 0.677 nan 8.230 nan 0.000 0.429 474 Y N 1.619 121.837 120.300 -0.135 0.000 2.545 474 Y HA 0.570 5.093 4.550 -0.045 0.000 0.348 474 Y C 0.444 176.136 175.900 -0.347 0.000 1.002 474 Y CA -0.646 57.280 58.100 -0.291 0.000 1.039 474 Y CB 1.956 40.224 38.460 -0.320 0.000 1.271 474 Y HN 0.717 nan 8.280 nan 0.000 0.467 475 S N 0.499 115.998 115.700 -0.334 0.000 2.617 475 S HA 0.398 4.840 4.470 -0.046 0.000 0.259 475 S C 1.267 175.715 174.600 -0.254 0.000 1.301 475 S CA -0.171 57.846 58.200 -0.306 0.000 0.984 475 S CB 1.126 64.136 63.200 -0.318 0.000 0.954 475 S HN 0.925 nan 8.310 nan 0.000 0.572 476 A N 0.670 123.395 122.820 -0.158 0.000 2.125 476 A HA -0.029 4.263 4.320 -0.046 0.000 0.219 476 A C 1.839 179.178 177.584 -0.409 0.000 1.156 476 A CA 0.986 52.886 52.037 -0.228 0.000 0.671 476 A CB -0.508 18.497 19.000 0.009 0.000 0.794 476 A HN 0.702 nan 8.150 nan 0.000 0.459 477 K N -1.349 118.825 120.400 -0.376 0.000 2.404 477 K HA 0.184 4.477 4.320 -0.046 0.000 0.194 477 K C 1.094 177.088 176.600 -1.009 0.000 1.023 477 K CA 0.714 56.741 56.287 -0.433 0.000 1.094 477 K CB -0.049 32.316 32.500 -0.226 0.000 0.841 477 K HN 0.776 nan 8.250 nan 0.000 0.523 478 G N 1.136 108.979 108.800 -1.594 0.000 2.141 478 G HA2 -0.224 3.708 3.960 -0.046 0.000 0.242 478 G HA3 -0.224 3.708 3.960 -0.046 0.000 0.242 478 G C 0.021 174.379 174.900 -0.904 0.000 0.982 478 G CA 0.032 43.711 45.100 -2.368 0.000 0.662 478 G HN 0.108 nan 8.290 nan 0.000 0.527 479 V N 1.510 121.108 119.914 -0.528 0.000 2.408 479 V HA 0.326 4.418 4.120 -0.046 0.000 0.267 479 V C 1.077 177.028 176.094 -0.238 0.000 1.047 479 V CA -0.291 61.849 62.300 -0.265 0.000 0.937 479 V CB 1.451 33.173 31.823 -0.168 0.000 0.999 479 V HN 0.439 nan 8.190 nan 0.000 0.472 480 K N 5.391 125.685 120.400 -0.176 0.000 2.451 480 K HA 0.247 4.539 4.320 -0.046 0.000 0.280 480 K C -0.628 175.791 176.600 -0.301 0.000 1.020 480 K CA -0.070 55.994 56.287 -0.373 0.000 1.008 480 K CB 0.292 32.608 32.500 -0.308 0.000 0.917 480 K HN 0.605 nan 8.250 nan 0.000 0.478 481 I N 5.191 125.546 120.570 -0.359 0.000 2.330 481 I HA 0.217 4.360 4.170 -0.046 0.000 0.289 481 I C 0.958 177.014 176.117 -0.103 0.000 1.001 481 I CA -0.119 61.039 61.300 -0.237 0.000 1.193 481 I CB 1.105 38.905 38.000 -0.334 0.000 1.345 481 I HN 1.072 nan 8.210 nan 0.000 0.461 482 G N 5.598 114.385 108.800 -0.021 0.000 2.594 482 G HA2 -0.254 3.679 3.960 -0.046 0.000 0.297 482 G HA3 -0.254 3.679 3.960 -0.046 0.000 0.297 482 G C -0.137 174.749 174.900 -0.023 0.000 1.273 482 G CA 0.167 45.273 45.100 0.011 0.000 0.974 482 G HN 0.884 nan 8.290 nan 0.000 0.552 483 S N -0.640 115.063 115.700 0.005 0.000 2.542 483 S HA 0.881 5.323 4.470 -0.046 0.000 0.293 483 S C 0.616 175.228 174.600 0.021 0.000 1.089 483 S CA 0.597 58.793 58.200 -0.006 0.000 0.961 483 S CB 1.668 64.868 63.200 0.002 0.000 1.062 483 S HN 2.953 nan 8.310 nan 0.000 0.483 484 G N 0.221 109.020 108.800 -0.001 0.000 2.796 484 G HA2 0.147 4.080 3.960 -0.046 0.000 0.226 484 G HA3 0.147 4.080 3.960 -0.046 0.000 0.226 484 G C -0.361 174.516 174.900 -0.037 0.000 1.381 484 G CA -0.086 45.022 45.100 0.013 0.000 0.867 484 G HN 2.205 nan 8.290 nan 0.000 0.552 485 V N -3.961 115.906 119.914 -0.078 0.000 3.160 485 V HA 0.901 4.994 4.120 -0.046 0.000 0.310 485 V C -2.466 173.349 176.094 -0.465 0.000 1.181 485 V CA -1.860 60.206 62.300 -0.390 0.000 1.047 485 V CB 1.553 33.219 31.823 -0.261 0.000 1.068 485 V HN 0.866 nan 8.190 nan 0.000 0.441 486 P HA 0.121 nan 4.420 nan 0.000 0.267 486 P C 0.937 178.149 177.300 -0.147 0.000 1.201 486 P CA 0.650 63.369 63.100 -0.634 0.000 0.775 486 P CB 0.489 31.510 31.700 -1.133 0.000 0.854 487 S N -0.595 115.130 115.700 0.042 0.000 2.555 487 S HA 0.023 4.465 4.470 -0.046 0.000 0.230 487 S C 0.596 175.257 174.600 0.102 0.000 0.978 487 S CA 0.375 58.621 58.200 0.077 0.000 0.934 487 S CB -0.719 62.530 63.200 0.082 0.000 0.766 487 S HN 0.553 nan 8.310 nan 0.000 0.533 488 S N -0.425 115.368 115.700 0.155 0.000 2.595 488 S HA 0.692 5.134 4.470 -0.046 0.000 0.281 488 S C -0.749 174.091 174.600 0.401 0.000 1.117 488 S CA -0.718 57.609 58.200 0.211 0.000 0.873 488 S CB 1.915 65.217 63.200 0.170 0.000 1.108 488 S HN 0.063 nan 8.310 nan 0.000 0.477 489 T N 2.018 116.749 114.554 0.294 0.000 3.542 489 T HA 0.420 4.743 4.350 -0.046 0.000 0.276 489 T C -0.049 174.716 174.700 0.108 0.000 1.412 489 T CA -0.541 61.690 62.100 0.219 0.000 1.664 489 T CB -0.108 68.868 68.868 0.179 0.000 0.863 489 T HN 0.630 nan 8.240 nan 0.000 0.661 490 N N 0.691 119.483 118.700 0.154 0.000 3.379 490 N HA 0.405 5.117 4.740 -0.046 0.000 0.197 490 N C -1.020 174.721 175.510 0.385 0.000 1.350 490 N CA -0.103 53.078 53.050 0.219 0.000 1.140 490 N CB 0.435 39.016 38.487 0.158 0.000 1.164 490 N HN 0.193 nan 8.380 nan 0.000 0.627 491 F N 0.549 120.509 119.950 0.016 0.000 2.507 491 F HA 0.717 5.216 4.527 -0.047 0.000 0.327 491 F C 0.959 176.739 175.800 -0.033 0.000 1.068 491 F CA -1.039 56.951 58.000 -0.017 0.000 0.965 491 F CB 1.615 40.586 39.000 -0.049 0.000 1.192 491 F HN 0.186 nan 8.300 nan 0.000 0.476 492 G N 1.987 110.784 108.800 -0.006 0.000 2.388 492 G HA2 0.656 4.588 3.960 -0.046 0.000 0.330 492 G HA3 0.656 4.588 3.960 -0.046 0.000 0.330 492 G C -1.713 173.062 174.900 -0.208 0.000 1.142 492 G CA -0.580 44.455 45.100 -0.108 0.000 0.908 492 G HN 0.663 nan 8.290 nan 0.000 0.473 493 I N 0.590 121.049 120.570 -0.185 0.000 2.656 493 I HA 0.398 4.540 4.170 -0.046 0.000 0.292 493 I C -1.086 174.981 176.117 -0.084 0.000 1.144 493 I CA -1.319 59.908 61.300 -0.120 0.000 1.038 493 I CB 1.756 39.783 38.000 0.044 0.000 1.244 493 I HN 0.454 nan 8.210 nan 0.000 0.420 494 W N 8.089 129.512 121.300 0.205 0.000 2.481 494 W HA 0.070 4.702 4.660 -0.047 0.000 0.320 494 W C 0.290 176.894 176.519 0.141 0.000 1.209 494 W CA -0.242 57.209 57.345 0.177 0.000 1.400 494 W CB 0.680 30.266 29.460 0.210 0.000 1.361 494 W HN 0.731 nan 8.180 nan 0.000 0.456 495 W N 3.071 124.431 121.300 0.100 0.000 3.638 495 W HA -0.096 4.536 4.660 -0.046 0.000 0.226 495 W C 0.385 176.878 176.519 -0.043 0.000 1.065 495 W CA 0.484 57.834 57.345 0.008 0.000 1.751 495 W CB 0.288 29.770 29.460 0.037 0.000 0.873 495 W HN 0.217 nan 8.180 nan 0.000 0.786 496 D N -0.528 119.918 120.400 0.076 0.000 2.469 496 D HA 0.250 4.862 4.640 -0.046 0.000 0.278 496 D C 1.418 177.682 176.300 -0.058 0.000 1.231 496 D CA 0.328 54.300 54.000 -0.046 0.000 1.075 496 D CB -0.357 40.511 40.800 0.114 0.000 1.121 496 D HN -0.007 nan 8.370 nan 0.000 0.571 497 G N -1.608 107.201 108.800 0.016 0.000 2.777 497 G HA2 0.055 3.987 3.960 -0.046 0.000 0.211 497 G HA3 0.055 3.987 3.960 -0.046 0.000 0.211 497 G C 0.147 175.232 174.900 0.308 0.000 1.149 497 G CA 0.494 45.649 45.100 0.091 0.000 0.785 497 G HN 0.724 nan 8.290 nan 0.000 0.536 498 D N -0.375 120.206 120.400 0.302 0.000 2.388 498 D HA 0.217 4.829 4.640 -0.046 0.000 0.254 498 D C 1.303 177.853 176.300 0.417 0.000 1.111 498 D CA -0.870 53.346 54.000 0.360 0.000 0.993 498 D CB 0.935 41.898 40.800 0.271 0.000 1.118 498 D HN -0.012 nan 8.370 nan 0.000 0.502 499 L N -0.583 120.788 121.223 0.247 0.000 2.552 499 L HA 0.108 4.420 4.340 -0.046 0.000 0.227 499 L C 0.762 177.791 176.870 0.266 0.000 1.146 499 L CA 0.000 54.913 54.840 0.121 0.000 0.858 499 L CB -0.497 41.445 42.059 -0.194 0.000 0.969 499 L HN 0.225 nan 8.230 nan 0.000 0.451 500 L N -0.060 121.347 121.223 0.306 0.000 2.476 500 L HA 0.123 4.435 4.340 -0.046 0.000 0.264 500 L C 0.677 177.816 176.870 0.449 0.000 1.224 500 L CA 0.023 55.063 54.840 0.334 0.000 0.821 500 L CB 0.205 42.431 42.059 0.278 0.000 1.101 500 L HN 0.104 nan 8.230 nan 0.000 0.488 501 R N 0.572 121.269 120.500 0.328 0.000 2.460 501 R HA 0.308 4.621 4.340 -0.046 0.000 0.303 501 R C -0.722 175.658 176.300 0.133 0.000 0.968 501 R CA -0.663 55.503 56.100 0.109 0.000 0.889 501 R CB 1.301 31.459 30.300 -0.237 0.000 1.123 501 R HN 0.525 nan 8.270 nan 0.000 0.455 502 E N 1.492 121.766 120.200 0.124 0.000 2.359 502 E HA 0.198 4.520 4.350 -0.046 0.000 0.255 502 E C -0.904 175.765 176.600 0.115 0.000 1.191 502 E CA -0.382 56.115 56.400 0.163 0.000 0.952 502 E CB 0.718 30.546 29.700 0.214 0.000 1.152 502 E HN 0.319 nan 8.360 nan 0.000 0.496 503 Q N 0.162 120.042 119.800 0.134 0.000 2.342 503 Q HA 0.631 4.943 4.340 -0.046 0.000 0.267 503 Q C -1.265 174.794 176.000 0.098 0.000 1.038 503 Q CA -0.496 55.397 55.803 0.150 0.000 0.832 503 Q CB 1.968 30.828 28.738 0.203 0.000 1.323 503 Q HN 0.438 nan 8.270 nan 0.000 0.448 504 L N 1.340 122.632 121.223 0.115 0.000 2.386 504 L HA 0.797 5.109 4.340 -0.046 0.000 0.271 504 L C -1.714 175.195 176.870 0.065 0.000 0.993 504 L CA -0.363 54.517 54.840 0.066 0.000 0.819 504 L CB 1.891 43.964 42.059 0.023 0.000 1.294 504 L HN 0.567 nan 8.230 nan 0.000 0.414 505 D N 2.323 122.746 120.400 0.039 0.000 2.769 505 D HA 0.407 5.020 4.640 -0.046 0.000 0.219 505 D C -0.240 176.061 176.300 0.001 0.000 1.245 505 D CA 0.776 54.782 54.000 0.010 0.000 0.801 505 D CB 2.259 43.082 40.800 0.038 0.000 1.598 505 D HN 0.766 nan 8.370 nan 0.000 0.485 506 S N 2.217 117.905 115.700 -0.020 0.000 3.927 506 S HA -0.319 4.124 4.470 -0.046 0.000 0.618 506 S C 0.542 175.097 174.600 -0.075 0.000 2.201 506 S CA 1.736 59.904 58.200 -0.054 0.000 4.160 506 S CB -1.037 62.104 63.200 -0.098 0.000 0.266 506 S HN 0.833 nan 8.310 nan 0.000 0.760 507 N N 2.096 120.576 118.700 -0.367 0.000 2.378 507 N HA 0.244 4.956 4.740 -0.046 0.000 0.243 507 N C -0.171 174.917 175.510 -0.703 0.000 1.137 507 N CA -0.083 52.397 53.050 -0.951 0.000 0.862 507 N CB -0.389 37.484 38.487 -1.024 0.000 1.116 507 N HN 0.495 nan 8.380 nan 0.000 0.499 508 R N 0.095 120.447 120.500 -0.246 0.000 2.686 508 R HA 0.556 4.868 4.340 -0.046 0.000 0.286 508 R C -0.638 175.635 176.300 -0.045 0.000 0.969 508 R CA -0.686 55.319 56.100 -0.158 0.000 0.898 508 R CB 2.134 32.369 30.300 -0.108 0.000 1.183 508 R HN 0.097 nan 8.270 nan 0.000 0.456 509 I N 2.331 122.833 120.570 -0.115 0.000 2.378 509 I HA 0.304 4.446 4.170 -0.046 0.000 0.291 509 I C -0.583 175.506 176.117 -0.047 0.000 0.992 509 I CA -0.635 60.587 61.300 -0.130 0.000 1.154 509 I CB 1.747 39.508 38.000 -0.398 0.000 1.315 509 I HN 0.390 nan 8.210 nan 0.000 0.448 510 D N 5.049 125.463 120.400 0.024 0.000 2.350 510 D HA 0.432 5.045 4.640 -0.046 0.000 0.238 510 D C -0.695 175.679 176.300 0.124 0.000 0.989 510 D CA -0.696 53.346 54.000 0.070 0.000 0.921 510 D CB 2.496 43.346 40.800 0.083 0.000 1.297 510 D HN 0.171 nan 8.370 nan 0.000 0.490 511 K N 0.406 120.890 120.400 0.139 0.000 2.292 511 K HA 0.224 4.516 4.320 -0.046 0.000 0.257 511 K C -1.323 175.410 176.600 0.221 0.000 0.940 511 K CA -0.779 55.618 56.287 0.183 0.000 0.811 511 K CB 1.310 33.900 32.500 0.151 0.000 1.120 511 K HN 0.438 nan 8.250 nan 0.000 0.428 512 W N 6.181 127.506 121.300 0.043 0.000 2.388 512 W HA 0.163 4.797 4.660 -0.045 0.000 0.308 512 W C -0.593 175.961 176.519 0.059 0.000 1.263 512 W CA -0.325 57.025 57.345 0.010 0.000 1.286 512 W CB 0.905 30.346 29.460 -0.032 0.000 1.294 512 W HN 0.623 nan 8.180 nan 0.000 0.493 513 D N 6.778 126.906 120.400 -0.454 0.000 2.422 513 D HA -0.074 4.539 4.640 -0.046 0.000 0.227 513 D C 0.848 176.607 176.300 -0.902 0.000 1.190 513 D CA -0.261 53.425 54.000 -0.524 0.000 0.905 513 D CB 0.077 40.627 40.800 -0.417 0.000 1.034 513 D HN 0.487 nan 8.370 nan 0.000 0.507 514 Y N 2.096 122.052 120.300 -0.573 0.000 2.314 514 Y HA -0.046 4.476 4.550 -0.046 0.000 0.293 514 Y C 1.830 177.588 175.900 -0.236 0.000 1.129 514 Y CA 0.732 58.580 58.100 -0.420 0.000 1.201 514 Y CB -0.466 38.049 38.460 0.092 0.000 0.999 514 Y HN 0.285 nan 8.280 nan 0.000 0.541 515 Q N 0.404 119.791 119.800 -0.688 0.000 2.291 515 Q HA -0.076 4.236 4.340 -0.046 0.000 0.205 515 Q C 0.942 176.776 176.000 -0.276 0.000 0.970 515 Q CA 1.225 56.787 55.803 -0.402 0.000 0.876 515 Q CB -0.013 28.430 28.738 -0.491 0.000 0.935 515 Q HN 0.577 nan 8.270 nan 0.000 0.455 516 N N -1.397 117.084 118.700 -0.365 0.000 2.171 516 N HA 0.096 4.808 4.740 -0.046 0.000 0.212 516 N C 0.279 175.578 175.510 -0.351 0.000 1.184 516 N CA 0.810 53.682 53.050 -0.297 0.000 0.888 516 N CB 1.618 39.943 38.487 -0.270 0.000 1.038 516 N HN 0.226 nan 8.380 nan 0.000 0.517 517 G N 1.312 109.779 108.800 -0.554 0.000 2.272 517 G HA2 -0.214 3.718 3.960 -0.046 0.000 0.280 517 G HA3 -0.214 3.718 3.960 -0.046 0.000 0.280 517 G C -0.430 174.025 174.900 -0.740 0.000 1.067 517 G CA 0.714 45.436 45.100 -0.630 0.000 0.902 517 G HN 0.332 nan 8.290 nan 0.000 0.500 518 V N -0.850 118.452 119.914 -1.020 0.000 3.012 518 V HA 0.773 4.865 4.120 -0.046 0.000 0.307 518 V C 0.208 176.091 176.094 -0.353 0.000 1.166 518 V CA -0.000 62.022 62.300 -0.464 0.000 0.974 518 V CB 2.274 33.960 31.823 -0.230 0.000 1.040 518 V HN 0.584 nan 8.190 nan 0.000 0.428 519 S N 5.603 121.338 115.700 0.059 0.000 2.565 519 S HA 0.627 5.069 4.470 -0.046 0.000 0.274 519 S C -0.694 173.927 174.600 0.036 0.000 1.309 519 S CA -0.666 57.622 58.200 0.147 0.000 1.043 519 S CB 0.831 64.160 63.200 0.216 0.000 0.939 519 S HN 0.607 nan 8.310 nan 0.000 0.504 520 K N 2.248 122.669 120.400 0.035 0.000 2.378 520 K HA 0.339 4.631 4.320 -0.046 0.000 0.252 520 K C -0.664 175.956 176.600 0.034 0.000 0.931 520 K CA -0.837 55.459 56.287 0.013 0.000 0.794 520 K CB 1.535 34.028 32.500 -0.012 0.000 1.181 520 K HN 0.550 nan 8.250 nan 0.000 0.425 521 N N 1.909 120.620 118.700 0.019 0.000 2.492 521 N HA 0.094 4.806 4.740 -0.046 0.000 0.262 521 N C 0.650 176.176 175.510 0.027 0.000 1.202 521 N CA 0.430 53.488 53.050 0.014 0.000 0.926 521 N CB 0.580 39.062 38.487 -0.009 0.000 1.078 521 N HN 0.500 nan 8.380 nan 0.000 0.454 522 M N 1.451 121.072 119.600 0.035 0.000 2.691 522 M HA 0.185 4.637 4.480 -0.046 0.000 0.261 522 M C -0.444 175.891 176.300 0.059 0.000 1.227 522 M CA 0.145 55.490 55.300 0.075 0.000 1.197 522 M CB 0.352 33.037 32.600 0.142 0.000 1.294 522 M HN 0.437 nan 8.290 nan 0.000 0.508 523 L N 0.296 121.506 121.223 -0.022 0.000 2.436 523 L HA 0.478 4.790 4.340 -0.046 0.000 0.268 523 L C -1.316 175.470 176.870 -0.140 0.000 0.974 523 L CA 0.154 54.957 54.840 -0.061 0.000 0.826 523 L CB 2.302 44.275 42.059 -0.144 0.000 1.291 523 L HN -0.154 nan 8.230 nan 0.000 0.406 524 T N 4.565 119.035 114.554 -0.139 0.000 2.833 524 T HA 0.630 4.952 4.350 -0.046 0.000 0.297 524 T C -0.109 174.430 174.700 -0.268 0.000 1.015 524 T CA -0.149 61.818 62.100 -0.222 0.000 0.963 524 T CB 1.288 70.066 68.868 -0.150 0.000 0.955 524 T HN 0.774 nan 8.240 nan 0.000 0.449 525 A N 3.487 125.999 122.820 -0.513 0.000 2.915 525 A HA 0.492 4.785 4.320 -0.046 0.000 0.292 525 A C 0.756 178.120 177.584 -0.368 0.000 1.632 525 A CA -0.517 51.203 52.037 -0.530 0.000 1.337 525 A CB -0.407 17.901 19.000 -1.153 0.000 1.111 525 A HN 0.688 nan 8.150 nan 0.000 0.569 526 S N 0.790 116.387 115.700 -0.171 0.000 2.537 526 S HA 0.413 4.855 4.470 -0.046 0.000 0.286 526 S C 1.513 176.049 174.600 -0.107 0.000 1.299 526 S CA 0.830 58.954 58.200 -0.127 0.000 1.067 526 S CB 0.635 63.803 63.200 -0.054 0.000 0.864 526 S HN 1.888 nan 8.310 nan 0.000 0.494 527 G N 1.624 110.346 108.800 -0.130 0.000 2.195 527 G HA2 -0.134 3.798 3.960 -0.046 0.000 0.246 527 G HA3 -0.134 3.798 3.960 -0.046 0.000 0.246 527 G C 0.113 174.922 174.900 -0.153 0.000 0.984 527 G CA -0.089 44.944 45.100 -0.111 0.000 0.633 527 G HN 1.182 nan 8.290 nan 0.000 0.525 528 A N -0.211 122.465 122.820 -0.240 0.000 2.312 528 A HA 1.033 5.325 4.320 -0.046 0.000 0.328 528 A C 0.295 177.654 177.584 -0.374 0.000 1.158 528 A CA 0.682 52.546 52.037 -0.288 0.000 0.821 528 A CB 1.531 20.294 19.000 -0.396 0.000 1.170 528 A HN 2.088 nan 8.150 nan 0.000 0.490 529 A N 0.536 123.203 122.820 -0.255 0.000 2.414 529 A HA 0.819 5.111 4.320 -0.046 0.000 0.306 529 A C 0.147 177.680 177.584 -0.084 0.000 1.054 529 A CA 0.013 51.928 52.037 -0.203 0.000 0.724 529 A CB 1.111 20.052 19.000 -0.099 0.000 1.267 529 A HN 2.148 nan 8.150 nan 0.000 0.418 530 A N 1.552 124.330 122.820 -0.070 0.000 2.240 530 A HA 0.718 5.010 4.320 -0.046 0.000 0.292 530 A C 0.170 177.766 177.584 0.020 0.000 1.121 530 A CA -0.504 51.577 52.037 0.073 0.000 0.851 530 A CB 0.300 19.328 19.000 0.047 0.000 1.167 530 A HN 0.934 nan 8.150 nan 0.000 0.503 531 N N -0.395 118.312 118.700 0.012 0.000 2.453 531 N HA 0.436 5.148 4.740 -0.046 0.000 0.290 531 N C -0.988 174.516 175.510 -0.009 0.000 1.250 531 N CA -0.960 52.093 53.050 0.005 0.000 0.815 531 N CB 0.786 39.280 38.487 0.011 0.000 1.381 531 N HN 0.568 nan 8.380 nan 0.000 0.510 532 N N 0.016 118.719 118.700 0.005 0.000 2.780 532 N HA -0.174 4.538 4.740 -0.046 0.000 0.248 532 N C 0.627 176.122 175.510 -0.025 0.000 1.102 532 N CA 1.089 54.139 53.050 0.000 0.000 0.697 532 N CB -1.548 36.939 38.487 0.001 0.000 1.028 532 N HN 1.022 nan 8.380 nan 0.000 0.554 533 G N 0.312 109.102 108.800 -0.017 0.000 2.583 533 G HA2 -0.474 3.458 3.960 -0.046 0.000 0.292 533 G HA3 -0.474 3.458 3.960 -0.046 0.000 0.292 533 G C 1.109 175.984 174.900 -0.042 0.000 1.203 533 G CA 2.359 47.445 45.100 -0.023 0.000 0.987 533 G HN 0.968 nan 8.290 nan 0.000 0.554 534 T N -0.808 113.716 114.554 -0.050 0.000 2.977 534 T HA 0.039 4.361 4.350 -0.046 0.000 0.271 534 T C 1.988 176.640 174.700 -0.081 0.000 1.105 534 T CA 1.907 63.973 62.100 -0.057 0.000 1.116 534 T CB -0.108 68.730 68.868 -0.050 0.000 0.878 534 T HN 0.518 nan 8.240 nan 0.000 0.509 535 K N 1.754 122.085 120.400 -0.116 0.000 2.148 535 K HA 0.250 4.542 4.320 -0.046 0.000 0.204 535 K C 1.550 178.096 176.600 -0.089 0.000 1.050 535 K CA 0.797 57.004 56.287 -0.134 0.000 0.942 535 K CB -0.934 31.451 32.500 -0.191 0.000 0.724 535 K HN 0.627 nan 8.250 nan 0.000 0.446 536 A N 2.099 124.874 122.820 -0.075 0.000 2.466 536 A HA -0.165 4.127 4.320 -0.046 0.000 0.295 536 A C 0.401 177.919 177.584 -0.111 0.000 1.465 536 A CA 1.136 53.132 52.037 -0.069 0.000 0.744 536 A CB -2.329 16.637 19.000 -0.057 0.000 1.098 536 A HN 0.458 nan 8.150 nan 0.000 0.402 537 T N -0.749 113.724 114.554 -0.134 0.000 2.907 537 T HA 0.749 5.071 4.350 -0.046 0.000 0.284 537 T C -2.075 172.499 174.700 -0.210 0.000 1.004 537 T CA -1.718 60.210 62.100 -0.287 0.000 1.063 537 T CB 2.124 70.868 68.868 -0.208 0.000 0.992 537 T HN 0.412 nan 8.240 nan 0.000 0.483 538 P HA 0.195 nan 4.420 nan 0.000 0.274 538 P C 0.823 178.000 177.300 -0.206 0.000 1.237 538 P CA -0.321 62.584 63.100 -0.325 0.000 0.793 538 P CB 0.498 31.770 31.700 -0.713 0.000 0.977 539 T N 0.086 114.557 114.554 -0.139 0.000 2.699 539 T HA -0.084 4.238 4.350 -0.046 0.000 0.268 539 T C 0.731 175.382 174.700 -0.082 0.000 1.036 539 T CA 1.547 63.596 62.100 -0.085 0.000 1.147 539 T CB -0.417 68.405 68.868 -0.077 0.000 0.862 539 T HN 0.331 nan 8.240 nan 0.000 0.446 540 L N -0.292 120.847 121.223 -0.140 0.000 2.591 540 L HA 0.419 4.731 4.340 -0.046 0.000 0.257 540 L C -1.673 175.124 176.870 -0.122 0.000 0.935 540 L CA -0.585 54.205 54.840 -0.083 0.000 0.873 540 L CB 2.248 44.277 42.059 -0.051 0.000 1.397 540 L HN -0.035 nan 8.230 nan 0.000 0.414 541 Q N 3.318 123.109 119.800 -0.014 0.000 2.325 541 Q HA 0.889 5.202 4.340 -0.046 0.000 0.270 541 Q C -1.722 174.305 176.000 0.045 0.000 1.020 541 Q CA -0.373 55.437 55.803 0.012 0.000 0.785 541 Q CB 1.884 30.705 28.738 0.138 0.000 1.259 541 Q HN 0.963 nan 8.270 nan 0.000 0.452 542 A N 3.209 126.088 122.820 0.098 0.000 2.594 542 A HA 0.262 4.554 4.320 -0.046 0.000 0.296 542 A C -1.652 176.067 177.584 0.224 0.000 1.056 542 A CA -0.766 51.380 52.037 0.180 0.000 0.693 542 A CB 1.566 20.593 19.000 0.044 0.000 1.278 542 A HN 0.779 nan 8.150 nan 0.000 0.408 543 D N 1.757 122.331 120.400 0.291 0.000 2.441 543 D HA 0.299 4.911 4.640 -0.046 0.000 0.243 543 D C 0.815 177.214 176.300 0.165 0.000 1.257 543 D CA 0.041 54.143 54.000 0.170 0.000 1.027 543 D CB -0.019 40.819 40.800 0.063 0.000 1.084 543 D HN 0.573 nan 8.370 nan 0.000 0.514 544 L N 1.335 122.661 121.223 0.172 0.000 2.731 544 L HA 0.477 4.789 4.340 -0.046 0.000 0.240 544 L C -0.315 176.715 176.870 0.266 0.000 1.120 544 L CA -0.026 54.955 54.840 0.235 0.000 0.913 544 L CB 0.045 42.201 42.059 0.162 0.000 1.213 544 L HN 0.143 nan 8.230 nan 0.000 0.515 545 L N -0.210 121.126 121.223 0.187 0.000 2.465 545 L HA 0.796 5.108 4.340 -0.046 0.000 0.257 545 L C 0.563 177.477 176.870 0.073 0.000 0.988 545 L CA -0.448 54.480 54.840 0.146 0.000 0.827 545 L CB 1.784 43.951 42.059 0.180 0.000 1.397 545 L HN 0.237 nan 8.230 nan 0.000 0.410 546 G N 1.615 110.440 108.800 0.043 0.000 2.562 546 G HA2 -0.241 3.691 3.960 -0.046 0.000 0.250 546 G HA3 -0.241 3.691 3.960 -0.046 0.000 0.250 546 G C -0.563 174.309 174.900 -0.047 0.000 1.269 546 G CA 0.282 45.372 45.100 -0.016 0.000 0.919 546 G HN 0.949 nan 8.290 nan 0.000 0.574 547 D N -0.272 120.044 120.400 -0.141 0.000 2.398 547 D HA 0.229 4.841 4.640 -0.046 0.000 0.264 547 D C 1.870 178.122 176.300 -0.081 0.000 1.263 547 D CA 0.384 54.291 54.000 -0.154 0.000 1.037 547 D CB -0.454 40.182 40.800 -0.274 0.000 1.101 547 D HN 0.964 nan 8.370 nan 0.000 0.551 548 W N -1.001 120.237 121.300 -0.104 0.000 2.468 548 W HA 0.018 4.650 4.660 -0.047 0.000 0.262 548 W C -0.011 176.480 176.519 -0.047 0.000 1.241 548 W CA -0.477 56.813 57.345 -0.093 0.000 1.232 548 W CB -0.896 28.485 29.460 -0.132 0.000 1.124 548 W HN -0.005 nan 8.180 nan 0.000 0.597 549 R N 2.179 122.287 120.500 -0.655 0.000 2.784 549 R HA 0.071 4.383 4.340 -0.046 0.000 0.266 549 R C 0.106 176.385 176.300 -0.035 0.000 1.044 549 R CA 0.292 56.120 56.100 -0.454 0.000 1.151 549 R CB 0.292 30.225 30.300 -0.611 0.000 1.037 549 R HN 0.109 nan 8.270 nan 0.000 0.478 550 E N 1.293 121.597 120.200 0.174 0.000 2.249 550 E HA 0.124 4.446 4.350 -0.046 0.000 0.280 550 E C -0.566 176.220 176.600 0.310 0.000 1.016 550 E CA -0.578 55.979 56.400 0.262 0.000 0.830 550 E CB 1.174 31.077 29.700 0.338 0.000 1.081 550 E HN 0.330 nan 8.360 nan 0.000 0.395 551 E N 0.898 121.250 120.200 0.255 0.000 2.349 551 E HA 0.255 4.577 4.350 -0.046 0.000 0.262 551 E C -0.861 175.830 176.600 0.151 0.000 1.088 551 E CA -0.381 56.195 56.400 0.292 0.000 0.899 551 E CB 1.111 30.963 29.700 0.254 0.000 1.044 551 E HN 0.123 nan 8.360 nan 0.000 0.420 552 V N 1.706 121.662 119.914 0.071 0.000 2.540 552 V HA 0.371 4.463 4.120 -0.046 0.000 0.302 552 V C -0.635 175.349 176.094 -0.184 0.000 1.035 552 V CA -0.980 61.129 62.300 -0.317 0.000 0.873 552 V CB 1.858 33.088 31.823 -0.989 0.000 0.992 552 V HN 0.366 nan 8.190 nan 0.000 0.428 553 V N 3.847 123.608 119.914 -0.255 0.000 2.328 553 V HA 0.446 4.538 4.120 -0.046 0.000 0.278 553 V C -0.745 175.237 176.094 -0.187 0.000 1.021 553 V CA -0.467 61.772 62.300 -0.100 0.000 0.838 553 V CB 1.222 33.014 31.823 -0.050 0.000 0.999 553 V HN 0.778 nan 8.190 nan 0.000 0.447 554 W N 4.452 125.761 121.300 0.015 0.000 2.666 554 W HA 0.555 5.187 4.660 -0.047 0.000 0.334 554 W C 0.423 176.897 176.519 -0.075 0.000 1.051 554 W CA -1.003 56.306 57.345 -0.059 0.000 1.224 554 W CB 2.140 31.546 29.460 -0.090 0.000 1.405 554 W HN 0.636 nan 8.180 nan 0.000 0.513 555 R N 0.233 120.817 120.500 0.139 0.000 2.641 555 R HA 0.351 4.663 4.340 -0.046 0.000 0.269 555 R C 0.575 176.882 176.300 0.013 0.000 1.074 555 R CA -0.190 55.923 56.100 0.023 0.000 1.133 555 R CB 0.168 30.456 30.300 -0.021 0.000 1.029 555 R HN 0.385 nan 8.270 nan 0.000 0.488 556 T N -1.355 113.183 114.554 -0.026 0.000 2.813 556 T HA 0.001 4.323 4.350 -0.046 0.000 0.297 556 T C 1.036 175.721 174.700 -0.025 0.000 1.036 556 T CA -0.415 61.659 62.100 -0.044 0.000 1.044 556 T CB 1.095 69.937 68.868 -0.044 0.000 0.993 556 T HN 0.778 nan 8.240 nan 0.000 0.535 557 E N 0.947 121.124 120.200 -0.037 0.000 2.114 557 E HA -0.197 4.125 4.350 -0.046 0.000 0.199 557 E C 1.529 178.135 176.600 0.010 0.000 1.008 557 E CA 1.995 58.380 56.400 -0.024 0.000 0.810 557 E CB -0.270 29.410 29.700 -0.034 0.000 0.739 557 E HN 0.894 nan 8.360 nan 0.000 0.456 558 D N -1.577 118.835 120.400 0.019 0.000 2.328 558 D HA 0.050 4.662 4.640 -0.046 0.000 0.221 558 D C -0.102 176.252 176.300 0.089 0.000 1.072 558 D CA 0.566 54.593 54.000 0.046 0.000 0.850 558 D CB -0.034 40.785 40.800 0.031 0.000 0.922 558 D HN -0.018 nan 8.370 nan 0.000 0.516 559 S N -0.995 114.758 115.700 0.088 0.000 3.473 559 S HA -0.249 4.193 4.470 -0.046 0.000 0.339 559 S C 1.326 176.028 174.600 0.170 0.000 1.148 559 S CA 0.865 59.150 58.200 0.141 0.000 0.969 559 S CB -2.273 61.107 63.200 0.301 0.000 0.936 559 S HN 0.660 nan 8.310 nan 0.000 0.530 560 S N -0.677 115.074 115.700 0.085 0.000 2.489 560 S HA 0.561 5.003 4.470 -0.046 0.000 0.228 560 S C 0.614 175.223 174.600 0.015 0.000 0.995 560 S CA 0.373 58.611 58.200 0.063 0.000 0.934 560 S CB 0.171 63.389 63.200 0.030 0.000 0.771 560 S HN 1.436 nan 8.310 nan 0.000 0.522 561 A N 0.273 123.079 122.820 -0.023 0.000 2.606 561 A HA 0.708 5.000 4.320 -0.046 0.000 0.293 561 A C -1.273 176.244 177.584 -0.112 0.000 1.082 561 A CA -0.931 51.052 52.037 -0.090 0.000 0.685 561 A CB 0.834 19.780 19.000 -0.088 0.000 1.284 561 A HN 0.305 nan 8.150 nan 0.000 0.408 562 L N 1.041 122.170 121.223 -0.158 0.000 2.307 562 L HA 0.583 4.895 4.340 -0.046 0.000 0.282 562 L C 0.244 177.063 176.870 -0.085 0.000 1.051 562 L CA -0.474 54.297 54.840 -0.115 0.000 0.804 562 L CB 1.484 43.456 42.059 -0.145 0.000 1.197 562 L HN 0.724 nan 8.230 nan 0.000 0.431 563 R N 3.591 124.081 120.500 -0.018 0.000 2.338 563 R HA 0.559 4.871 4.340 -0.046 0.000 0.317 563 R C -0.898 175.475 176.300 0.122 0.000 0.968 563 R CA -0.582 55.499 56.100 -0.031 0.000 0.849 563 R CB 1.761 31.937 30.300 -0.207 0.000 1.128 563 R HN 0.519 nan 8.270 nan 0.000 0.448 564 I N 4.117 124.747 120.570 0.099 0.000 2.297 564 I HA 0.204 4.346 4.170 -0.046 0.000 0.291 564 I C -0.541 175.787 176.117 0.352 0.000 1.033 564 I CA -0.515 60.927 61.300 0.237 0.000 1.253 564 I CB 0.479 38.630 38.000 0.251 0.000 1.396 564 I HN 0.413 nan 8.210 nan 0.000 0.476 565 Y N 4.189 124.728 120.300 0.399 0.000 2.320 565 Y HA 0.364 4.886 4.550 -0.046 0.000 0.334 565 Y C 0.719 176.970 175.900 0.584 0.000 1.055 565 Y CA -0.196 58.238 58.100 0.557 0.000 1.143 565 Y CB 1.794 40.550 38.460 0.492 0.000 1.193 565 Y HN 0.407 nan 8.280 nan 0.000 0.477 566 T N 2.322 117.260 114.554 0.639 0.000 2.876 566 T HA 0.223 4.545 4.350 -0.046 0.000 0.289 566 T C -0.349 174.296 174.700 -0.091 0.000 1.014 566 T CA -0.554 61.699 62.100 0.256 0.000 0.986 566 T CB 1.073 69.951 68.868 0.017 0.000 1.021 566 T HN 0.660 nan 8.240 nan 0.000 0.458 567 T N 1.757 115.900 114.554 -0.684 0.000 2.926 567 T HA 0.303 4.625 4.350 -0.046 0.000 0.307 567 T C 1.319 175.440 174.700 -0.966 0.000 1.059 567 T CA 0.360 61.740 62.100 -1.200 0.000 1.122 567 T CB 0.358 68.207 68.868 -1.697 0.000 0.972 567 T HN 0.818 nan 8.240 nan 0.000 0.545 568 T N 2.262 116.210 114.554 -1.011 0.000 3.182 568 T HA 0.367 4.689 4.350 -0.046 0.000 0.277 568 T C 0.523 174.499 174.700 -1.207 0.000 1.013 568 T CA -0.379 60.737 62.100 -1.640 0.000 0.900 568 T CB -0.449 67.894 68.868 -0.874 0.000 1.098 568 T HN 0.525 nan 8.240 nan 0.000 0.543 569 I N 3.360 123.442 120.570 -0.813 0.000 2.452 569 I HA 0.288 4.430 4.170 -0.046 0.000 0.287 569 I C -2.258 173.693 176.117 -0.277 0.000 1.079 569 I CA -2.460 58.580 61.300 -0.434 0.000 1.387 569 I CB 0.760 38.552 38.000 -0.347 0.000 1.404 569 I HN 0.007 nan 8.210 nan 0.000 0.522 570 P HA 0.083 nan 4.420 nan 0.000 0.269 570 P C -0.425 176.872 177.300 -0.006 0.000 1.215 570 P CA -0.145 63.001 63.100 0.076 0.000 0.780 570 P CB 0.742 32.474 31.700 0.053 0.000 0.898 571 T N 0.027 114.581 114.554 -0.001 0.000 2.906 571 T HA 0.231 4.553 4.350 -0.046 0.000 0.295 571 T C 0.571 175.234 174.700 -0.062 0.000 1.061 571 T CA -0.513 61.594 62.100 0.011 0.000 1.000 571 T CB 0.944 69.889 68.868 0.129 0.000 1.103 571 T HN 0.305 nan 8.240 nan 0.000 0.486 572 E N 1.058 121.139 120.200 -0.199 0.000 2.442 572 E HA 0.047 4.369 4.350 -0.046 0.000 0.195 572 E C -0.003 176.411 176.600 -0.310 0.000 1.030 572 E CA 0.224 56.443 56.400 -0.301 0.000 0.869 572 E CB 0.166 29.626 29.700 -0.400 0.000 0.857 572 E HN 0.524 nan 8.360 nan 0.000 0.505 573 H N 0.754 119.871 119.070 0.079 0.000 2.458 573 H HA 0.351 4.879 4.556 -0.046 0.000 0.330 573 H C -0.247 175.100 175.328 0.030 0.000 1.111 573 H CA -0.377 55.675 56.048 0.008 0.000 1.245 573 H CB 1.192 30.923 29.762 -0.050 0.000 1.456 573 H HN -0.038 nan 8.280 nan 0.000 0.488 574 R N 3.360 123.826 120.500 -0.056 0.000 2.387 574 R HA 0.544 4.856 4.340 -0.046 0.000 0.314 574 R C -1.439 174.684 176.300 -0.295 0.000 0.958 574 R CA -0.545 55.460 56.100 -0.158 0.000 0.846 574 R CB 0.710 30.816 30.300 -0.325 0.000 1.147 574 R HN 0.510 nan 8.270 nan 0.000 0.447 575 L N 3.694 124.754 121.223 -0.272 0.000 2.371 575 L HA 0.456 4.768 4.340 -0.046 0.000 0.262 575 L C -0.817 176.078 176.870 0.042 0.000 1.006 575 L CA -1.344 53.335 54.840 -0.269 0.000 0.818 575 L CB 1.733 43.420 42.059 -0.619 0.000 1.354 575 L HN 0.562 nan 8.230 nan 0.000 0.415 576 Y N 0.494 120.862 120.300 0.114 0.000 2.702 576 Y HA -0.059 4.463 4.550 -0.046 0.000 0.336 576 Y C 1.294 177.225 175.900 0.052 0.000 1.235 576 Y CA 0.557 58.662 58.100 0.009 0.000 1.492 576 Y CB 0.321 38.701 38.460 -0.133 0.000 1.308 576 Y HN 0.454 nan 8.280 nan 0.000 0.589 577 T N 4.434 119.117 114.554 0.215 0.000 2.905 577 T HA -0.021 4.301 4.350 -0.046 0.000 0.299 577 T C 1.293 176.018 174.700 0.043 0.000 1.024 577 T CA -0.221 61.934 62.100 0.092 0.000 1.151 577 T CB 0.129 68.991 68.868 -0.010 0.000 0.987 577 T HN 0.661 nan 8.240 nan 0.000 0.535 578 L N 4.589 125.770 121.223 -0.070 0.000 2.265 578 L HA -0.066 4.247 4.340 -0.046 0.000 0.215 578 L C 2.469 179.290 176.870 -0.080 0.000 1.117 578 L CA 0.690 55.354 54.840 -0.294 0.000 0.782 578 L CB -0.417 41.025 42.059 -1.027 0.000 0.914 578 L HN 0.657 nan 8.230 nan 0.000 0.441 579 M N -1.296 118.331 119.600 0.044 0.000 2.630 579 M HA -0.084 4.369 4.480 -0.046 0.000 0.254 579 M C 1.321 177.748 176.300 0.212 0.000 1.092 579 M CA 1.356 56.768 55.300 0.187 0.000 1.087 579 M CB -1.100 31.625 32.600 0.209 0.000 1.453 579 M HN 0.349 nan 8.290 nan 0.000 0.509 580 H N -1.398 117.742 119.070 0.117 0.000 2.549 580 H HA 0.114 4.642 4.556 -0.047 0.000 0.279 580 H C -0.183 175.170 175.328 0.041 0.000 1.018 580 H CA -0.485 55.594 56.048 0.052 0.000 1.175 580 H CB 0.541 30.301 29.762 -0.003 0.000 1.485 580 H HN 0.261 nan 8.280 nan 0.000 0.543 581 D N 0.787 121.321 120.400 0.223 0.000 2.225 581 D HA 0.061 4.673 4.640 -0.046 0.000 0.248 581 D C -1.705 174.695 176.300 0.168 0.000 1.096 581 D CA -2.263 51.866 54.000 0.214 0.000 0.863 581 D CB 1.663 42.640 40.800 0.296 0.000 1.156 581 D HN -0.048 nan 8.370 nan 0.000 0.450 582 P HA -0.092 nan 4.420 nan 0.000 0.225 582 P C 0.824 178.147 177.300 0.039 0.000 1.148 582 P CA 0.425 63.523 63.100 -0.004 0.000 0.779 582 P CB 0.354 32.017 31.700 -0.062 0.000 0.780 583 V N -2.293 117.689 119.914 0.113 0.000 2.672 583 V HA -0.111 3.982 4.120 -0.046 0.000 0.242 583 V C 2.134 178.292 176.094 0.106 0.000 1.059 583 V CA 0.755 63.130 62.300 0.125 0.000 1.081 583 V CB -1.124 30.789 31.823 0.150 0.000 0.752 583 V HN -0.011 nan 8.190 nan 0.000 0.472 584 Y N 1.708 122.028 120.300 0.034 0.000 2.145 584 Y HA -0.295 4.228 4.550 -0.045 0.000 0.286 584 Y C 2.756 178.614 175.900 -0.069 0.000 1.145 584 Y CA 2.371 60.467 58.100 -0.007 0.000 1.148 584 Y CB -0.026 38.469 38.460 0.058 0.000 0.981 584 Y HN 0.140 nan 8.280 nan 0.000 0.507 585 R N 0.716 121.338 120.500 0.203 0.000 2.096 585 R HA -0.139 4.173 4.340 -0.046 0.000 0.235 585 R C 1.998 178.298 176.300 0.000 0.000 1.127 585 R CA 1.952 58.143 56.100 0.152 0.000 0.968 585 R CB -0.926 29.520 30.300 0.243 0.000 0.861 585 R HN 0.523 nan 8.270 nan 0.000 0.440 586 L N -0.833 120.367 121.223 -0.038 0.000 2.141 586 L HA 0.026 4.338 4.340 -0.046 0.000 0.209 586 L C 2.380 178.872 176.870 -0.629 0.000 1.094 586 L CA 1.292 56.056 54.840 -0.127 0.000 0.763 586 L CB -0.899 41.181 42.059 0.035 0.000 0.908 586 L HN 0.456 nan 8.230 nan 0.000 0.437 587 G N 0.634 108.904 108.800 -0.884 0.000 2.442 587 G HA2 -0.222 3.710 3.960 -0.046 0.000 0.219 587 G HA3 -0.222 3.710 3.960 -0.046 0.000 0.219 587 G C 1.502 175.518 174.900 -1.473 0.000 1.141 587 G CA 0.443 44.414 45.100 -1.882 0.000 0.763 587 G HN 0.153 nan 8.290 nan 0.000 0.554 588 I N 1.927 121.996 120.570 -0.835 0.000 2.286 588 I HA -0.093 4.050 4.170 -0.046 0.000 0.248 588 I C 3.221 179.113 176.117 -0.375 0.000 1.115 588 I CA 0.947 61.930 61.300 -0.529 0.000 1.392 588 I CB -1.405 36.395 38.000 -0.333 0.000 1.065 588 I HN 0.255 nan 8.210 nan 0.000 0.418 589 A N 1.401 124.042 122.820 -0.299 0.000 1.908 589 A HA -0.195 4.097 4.320 -0.046 0.000 0.218 589 A C 2.071 179.593 177.584 -0.104 0.000 1.181 589 A CA 1.605 53.572 52.037 -0.117 0.000 0.627 589 A CB -1.066 17.953 19.000 0.030 0.000 0.818 589 A HN 0.722 nan 8.150 nan 0.000 0.445 590 W N -0.872 120.377 121.300 -0.086 0.000 3.290 590 W HA 0.219 4.854 4.660 -0.040 0.000 0.287 590 W C 1.289 177.733 176.519 -0.124 0.000 1.288 590 W CA 0.330 57.614 57.345 -0.103 0.000 1.725 590 W CB -0.518 28.900 29.460 -0.069 0.000 1.103 590 W HN 0.488 nan 8.180 nan 0.000 0.670 591 Q N 2.865 122.654 119.800 -0.018 0.000 2.112 591 Q HA -0.280 4.032 4.340 -0.046 0.000 0.206 591 Q C 2.304 178.375 176.000 0.119 0.000 0.987 591 Q CA 2.619 58.459 55.803 0.062 0.000 0.858 591 Q CB -0.416 28.257 28.738 -0.109 0.000 0.905 591 Q HN 0.397 nan 8.270 nan 0.000 0.420 592 N N 1.114 119.799 118.700 -0.024 0.000 2.309 592 N HA -0.138 4.574 4.740 -0.046 0.000 0.182 592 N C 0.989 176.518 175.510 0.032 0.000 1.018 592 N CA 0.755 53.777 53.050 -0.047 0.000 0.876 592 N CB -0.779 37.502 38.487 -0.343 0.000 0.972 592 N HN 0.459 nan 8.380 nan 0.000 0.434 593 I N -1.876 118.729 120.570 0.059 0.000 2.710 593 I HA 0.315 4.457 4.170 -0.046 0.000 0.286 593 I C 1.201 177.366 176.117 0.081 0.000 1.181 593 I CA -0.282 61.063 61.300 0.074 0.000 1.430 593 I CB 0.747 38.798 38.000 0.085 0.000 1.367 593 I HN 0.285 nan 8.210 nan 0.000 0.577 594 A N 5.297 128.154 122.820 0.061 0.000 5.328 594 A HA -0.320 3.972 4.320 -0.046 0.000 0.346 594 A C 0.154 177.789 177.584 0.085 0.000 1.675 594 A CA 1.729 53.752 52.037 -0.024 0.000 0.717 594 A CB -1.917 17.129 19.000 0.076 0.000 1.467 594 A HN 0.890 nan 8.150 nan 0.000 0.409 595 Y N 2.089 122.422 120.300 0.056 0.000 2.627 595 Y HA 0.355 4.879 4.550 -0.043 0.000 0.347 595 Y C 0.571 176.504 175.900 0.055 0.000 1.099 595 Y CA -0.987 57.134 58.100 0.036 0.000 1.408 595 Y CB -0.988 37.494 38.460 0.037 0.000 1.247 595 Y HN 0.458 nan 8.280 nan 0.000 0.506 596 N N 3.323 122.181 118.700 0.263 0.000 2.217 596 N HA -0.086 4.626 4.740 -0.046 0.000 0.268 596 N C -0.052 175.640 175.510 0.302 0.000 1.290 596 N CA 0.482 53.700 53.050 0.281 0.000 0.831 596 N CB 0.356 39.043 38.487 0.335 0.000 1.057 596 N HN 0.418 nan 8.380 nan 0.000 0.481 597 Q N 2.145 122.048 119.800 0.171 0.000 2.348 597 Q HA 0.530 4.842 4.340 -0.046 0.000 0.271 597 Q C -2.384 173.356 176.000 -0.433 0.000 1.067 597 Q CA -1.774 53.985 55.803 -0.073 0.000 0.839 597 Q CB 1.685 30.335 28.738 -0.147 0.000 1.354 597 Q HN 0.415 nan 8.270 nan 0.000 0.447 598 P HA 0.257 nan 4.420 nan 0.000 0.274 598 P C -2.549 174.443 177.300 -0.512 0.000 1.237 598 P CA -1.314 61.126 63.100 -1.100 0.000 0.793 598 P CB 0.251 31.372 31.700 -0.966 0.000 0.977 599 P HA 0.304 nan 4.420 nan 0.000 0.282 599 P C -0.646 176.395 177.300 -0.431 0.000 1.259 599 P CA 0.024 62.782 63.100 -0.571 0.000 0.826 599 P CB 1.074 32.176 31.700 -0.997 0.000 1.064 600 H N -0.782 118.277 119.070 -0.017 0.000 2.797 600 H HA 0.332 4.860 4.556 -0.046 0.000 0.372 600 H C 0.079 175.554 175.328 0.244 0.000 1.168 600 H CA -0.292 55.864 56.048 0.179 0.000 1.163 600 H CB 2.171 32.023 29.762 0.149 0.000 1.778 600 H HN 0.387 nan 8.280 nan 0.000 0.551 601 T N -1.297 113.457 114.554 0.333 0.000 2.899 601 T HA 0.096 4.418 4.350 -0.046 0.000 0.284 601 T C 1.458 176.137 174.700 -0.035 0.000 1.004 601 T CA -0.303 61.794 62.100 -0.005 0.000 1.043 601 T CB 1.119 69.561 68.868 -0.711 0.000 1.013 601 T HN 0.609 nan 8.240 nan 0.000 0.518 602 S N 0.574 116.289 115.700 0.024 0.000 2.447 602 S HA 0.056 4.498 4.470 -0.046 0.000 0.233 602 S C 0.464 175.170 174.600 0.176 0.000 1.006 602 S CA -0.244 58.037 58.200 0.135 0.000 0.957 602 S CB -1.010 62.309 63.200 0.197 0.000 0.773 602 S HN 0.774 nan 8.310 nan 0.000 0.507 603 F N -0.825 119.208 119.950 0.138 0.000 2.557 603 F HA 0.741 5.240 4.527 -0.046 0.000 0.336 603 F C -0.426 175.491 175.800 0.195 0.000 1.058 603 F CA -2.491 55.593 58.000 0.140 0.000 0.988 603 F CB 0.284 39.331 39.000 0.078 0.000 1.275 603 F HN -0.053 nan 8.300 nan 0.000 0.488 604 F N 3.539 123.634 119.950 0.241 0.000 2.466 604 F HA 0.370 4.868 4.527 -0.047 0.000 0.363 604 F C -0.849 175.084 175.800 0.222 0.000 1.109 604 F CA -0.792 57.308 58.000 0.167 0.000 1.161 604 F CB 0.259 39.358 39.000 0.164 0.000 1.117 604 F HN 0.547 nan 8.300 nan 0.000 0.539 605 L N 7.606 128.507 121.223 -0.536 0.000 2.262 605 L HA 0.767 5.079 4.340 -0.046 0.000 0.288 605 L C -0.053 176.330 176.870 -0.811 0.000 1.035 605 L CA 0.059 54.558 54.840 -0.568 0.000 0.820 605 L CB 0.304 41.979 42.059 -0.641 0.000 1.204 605 L HN 0.859 nan 8.230 nan 0.000 0.424 606 G N 2.878 111.137 108.800 -0.901 0.000 2.321 606 G HA2 0.027 3.959 3.960 -0.046 0.000 0.296 606 G HA3 0.027 3.959 3.960 -0.046 0.000 0.296 606 G C -1.892 172.897 174.900 -0.186 0.000 1.287 606 G CA -0.865 43.910 45.100 -0.543 0.000 0.846 606 G HN 0.511 nan 8.290 nan 0.000 0.508 607 D N -0.550 119.918 120.400 0.114 0.000 2.425 607 D HA 0.446 5.059 4.640 -0.046 0.000 0.247 607 D C 1.398 177.858 176.300 0.266 0.000 1.147 607 D CA 2.159 56.249 54.000 0.150 0.000 0.879 607 D CB 0.467 41.354 40.800 0.146 0.000 1.179 607 D HN 1.797 nan 8.370 nan 0.000 0.456 608 G N 3.184 112.084 108.800 0.167 0.000 2.159 608 G HA2 -0.295 3.637 3.960 -0.046 0.000 0.256 608 G HA3 -0.295 3.637 3.960 -0.046 0.000 0.256 608 G C 0.574 175.610 174.900 0.227 0.000 0.977 608 G CA 0.470 45.675 45.100 0.175 0.000 0.652 608 G HN 0.718 nan 8.290 nan 0.000 0.531 609 M N 0.193 119.935 119.600 0.236 0.000 2.240 609 M HA 0.679 5.132 4.480 -0.046 0.000 0.317 609 M C 0.615 176.980 176.300 0.107 0.000 1.087 609 M CA 0.349 55.792 55.300 0.239 0.000 1.176 609 M CB 0.708 33.319 32.600 0.018 0.000 1.439 609 M HN 0.975 nan 8.290 nan 0.000 0.452 610 A N 1.559 124.448 122.820 0.114 0.000 2.302 610 A HA 0.332 4.624 4.320 -0.046 0.000 0.285 610 A C -0.258 177.312 177.584 -0.022 0.000 1.105 610 A CA -0.689 51.374 52.037 0.044 0.000 0.816 610 A CB 0.222 19.256 19.000 0.056 0.000 1.067 610 A HN 0.900 nan 8.150 nan 0.000 0.489 611 E N 1.379 121.556 120.200 -0.039 0.000 2.415 611 E HA 0.080 4.403 4.350 -0.046 0.000 0.263 611 E C -0.350 176.197 176.600 -0.089 0.000 0.995 611 E CA -0.025 56.330 56.400 -0.074 0.000 0.915 611 E CB 0.409 30.084 29.700 -0.042 0.000 0.951 611 E HN 0.452 nan 8.360 nan 0.000 0.449 612 Q N 3.510 123.214 119.800 -0.160 0.000 2.259 612 Q HA 0.266 4.578 4.340 -0.046 0.000 0.249 612 Q C -2.010 173.967 176.000 -0.038 0.000 0.914 612 Q CA -1.957 53.721 55.803 -0.207 0.000 0.904 612 Q CB 0.587 29.008 28.738 -0.528 0.000 1.213 612 Q HN 0.400 nan 8.270 nan 0.000 0.428 613 P HA 0.123 nan 4.420 nan 0.000 0.276 613 P C -0.351 176.922 177.300 -0.045 0.000 1.261 613 P CA -0.493 62.606 63.100 -0.002 0.000 0.800 613 P CB 0.978 32.656 31.700 -0.036 0.000 1.066 614 K N 1.426 121.772 120.400 -0.089 0.000 2.489 614 K HA 0.077 4.369 4.320 -0.046 0.000 0.278 614 K C -1.741 174.616 176.600 -0.403 0.000 1.000 614 K CA -0.897 55.138 56.287 -0.420 0.000 1.012 614 K CB -0.406 31.956 32.500 -0.231 0.000 0.903 614 K HN 0.385 nan 8.250 nan 0.000 0.485 615 P HA -0.016 nan 4.420 nan 0.000 0.269 615 P C -0.784 176.380 177.300 -0.227 0.000 1.209 615 P CA -0.198 62.711 63.100 -0.318 0.000 0.776 615 P CB 0.433 31.943 31.700 -0.317 0.000 0.876 616 N N 3.186 121.804 118.700 -0.136 0.000 2.482 616 N HA 0.272 4.984 4.740 -0.046 0.000 0.242 616 N C -0.381 175.087 175.510 -0.070 0.000 1.100 616 N CA -0.132 52.869 53.050 -0.081 0.000 0.946 616 N CB -0.672 37.792 38.487 -0.038 0.000 1.227 616 N HN 0.397 nan 8.380 nan 0.000 0.508 617 M N 1.343 120.895 119.600 -0.079 0.000 2.569 617 M HA 0.526 4.978 4.480 -0.046 0.000 0.279 617 M C -1.637 174.666 176.300 0.005 0.000 1.253 617 M CA -1.106 54.135 55.300 -0.098 0.000 0.867 617 M CB 2.174 34.633 32.600 -0.234 0.000 1.727 617 M HN 0.136 nan 8.290 nan 0.000 0.467 618 Y N -1.450 118.819 120.300 -0.052 0.000 2.605 618 Y HA 0.934 5.456 4.550 -0.047 0.000 0.343 618 Y C -0.833 175.054 175.900 -0.022 0.000 1.036 618 Y CA -0.676 57.401 58.100 -0.037 0.000 1.065 618 Y CB 1.295 39.752 38.460 -0.007 0.000 1.288 618 Y HN 0.918 nan 8.280 nan 0.000 0.481 619 T N -0.462 114.162 114.554 0.116 0.000 2.940 619 T HA 0.716 5.038 4.350 -0.046 0.000 0.288 619 T C -2.535 172.288 174.700 0.205 0.000 1.033 619 T CA -1.957 60.174 62.100 0.051 0.000 1.033 619 T CB 1.379 70.265 68.868 0.031 0.000 1.079 619 T HN 0.581 nan 8.240 nan 0.000 0.496 620 P HA 0.000 nan 4.420 nan 0.000 0.216 620 P CA 0.000 63.199 63.100 0.164 0.000 0.800 620 P CB 0.000 31.767 31.700 0.111 0.000 0.726