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 2q5j_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKLAEALLRA LKDRGAQAMF GIPGDFALPF FKVAEETQIL PLHTLSHEPA DATA SEQUENCE VGFAADAAAR YSSTLGVAAV TYGAGAFNMV NAVAGAYAEK SPVVVISGAP DATA SEQUENCE GTTEGNAGLL XXXXXXXXDT QFQVFKEITV AQARLDDPAK APAEIARVLG DATA SEQUENCE AARAQSRPVY LEIPRNMVNA EVEPVGDDPA WPVDRDALAA CADEVLAAMR DATA SEQUENCE SATSPVLMVC VEVRRYGLEA KVAELAQRLG VPVVTTFMGR GLLADAPTPP DATA SEQUENCE LGTYIGVAGD AEITRLVEES DGLFLLGAIL SDTNFAVSQR KIDLRKTIHA DATA SEQUENCE FDRAVTLGYH TYADIPLAGL VDALLERLPP SDRTTRGKEP HAYPTGLQAD DATA SEQUENCE GEPIAPMDIA RAVNDRVRAG QEPLLIAADM GDCLFTAMDM IDAGLMAPGY DATA SEQUENCE YAGMGFGVPA GIGAQCVSGG KRILTVVGDG AFQMTGWELG NCRRLGIDPI DATA SEQUENCE VILFNNASWE MLRTFQPESA FNDLDDWRFA DMAAGMGGDG VRVRTRAELK DATA SEQUENCE AALDKAFATR GRFQLIEAMI PRGVLSDTLA RFVQGQKR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.301 176.300 0.002 0.000 1.140 1 M CA 0.000 55.299 55.300 -0.002 0.000 0.988 1 M CB 0.000 32.599 32.600 -0.002 0.000 1.302 2 K N 3.171 123.571 120.400 0.001 0.000 2.414 2 K HA 0.125 4.447 4.320 0.003 0.000 0.272 2 K C 0.831 177.441 176.600 0.017 0.000 0.993 2 K CA -0.143 56.148 56.287 0.008 0.000 0.964 2 K CB 0.819 33.321 32.500 0.003 0.000 0.925 2 K HN 0.723 nan 8.250 nan 0.000 0.487 3 L N 2.600 123.840 121.223 0.028 0.000 1.970 3 L HA -0.275 4.067 4.340 0.003 0.000 0.212 3 L C 2.207 179.117 176.870 0.067 0.000 1.071 3 L CA 1.938 56.802 54.840 0.039 0.000 0.751 3 L CB -0.433 41.649 42.059 0.038 0.000 0.889 3 L HN 0.910 nan 8.230 nan 0.000 0.432 4 A N -0.594 122.289 122.820 0.104 0.000 1.948 4 A HA -0.320 4.002 4.320 0.003 0.000 0.220 4 A C 2.170 179.801 177.584 0.079 0.000 1.177 4 A CA 2.136 54.286 52.037 0.188 0.000 0.636 4 A CB -0.676 18.446 19.000 0.203 0.000 0.815 4 A HN 0.668 nan 8.150 nan 0.000 0.449 5 E N -0.275 119.932 120.200 0.011 0.000 2.015 5 E HA -0.086 4.266 4.350 0.003 0.000 0.191 5 E C 2.203 178.801 176.600 -0.002 0.000 0.991 5 E CA 0.993 57.379 56.400 -0.024 0.000 0.802 5 E CB -0.334 29.348 29.700 -0.030 0.000 0.759 5 E HN 0.495 nan 8.360 nan 0.000 0.447 6 A N 1.215 124.041 122.820 0.010 0.000 2.009 6 A HA -0.242 4.080 4.320 0.003 0.000 0.222 6 A C 2.107 179.703 177.584 0.019 0.000 1.175 6 A CA 1.740 53.784 52.037 0.012 0.000 0.651 6 A CB -0.746 18.263 19.000 0.016 0.000 0.815 6 A HN 0.421 nan 8.150 nan 0.000 0.459 7 L N -0.581 120.666 121.223 0.039 0.000 1.993 7 L HA -0.012 4.330 4.340 0.003 0.000 0.206 7 L C 2.317 179.209 176.870 0.037 0.000 1.074 7 L CA 1.836 56.706 54.840 0.050 0.000 0.746 7 L CB -0.907 41.209 42.059 0.095 0.000 0.896 7 L HN 0.377 nan 8.230 nan 0.000 0.435 8 L N -0.364 120.879 121.223 0.034 0.000 2.051 8 L HA -0.278 4.064 4.340 0.003 0.000 0.214 8 L C 2.802 179.659 176.870 -0.023 0.000 1.076 8 L CA 1.682 56.516 54.840 -0.011 0.000 0.758 8 L CB -0.615 41.398 42.059 -0.076 0.000 0.890 8 L HN 0.287 nan 8.230 nan 0.000 0.433 9 R N -0.354 120.133 120.500 -0.021 0.000 2.083 9 R HA -0.187 4.154 4.340 0.003 0.000 0.237 9 R C 2.453 178.748 176.300 -0.009 0.000 1.137 9 R CA 1.393 57.481 56.100 -0.020 0.000 0.951 9 R CB -0.655 29.635 30.300 -0.016 0.000 0.851 9 R HN 0.415 nan 8.270 nan 0.000 0.434 10 A N 1.582 124.403 122.820 0.001 0.000 1.873 10 A HA -0.206 4.116 4.320 0.003 0.000 0.218 10 A C 2.247 179.835 177.584 0.007 0.000 1.193 10 A CA 1.516 53.558 52.037 0.008 0.000 0.629 10 A CB -0.818 18.192 19.000 0.015 0.000 0.826 10 A HN 0.209 nan 8.150 nan 0.000 0.447 11 L N -0.801 120.425 121.223 0.006 0.000 2.043 11 L HA -0.269 4.073 4.340 0.003 0.000 0.212 11 L C 2.695 179.563 176.870 -0.004 0.000 1.075 11 L CA 2.179 57.021 54.840 0.004 0.000 0.752 11 L CB -0.470 41.590 42.059 0.001 0.000 0.891 11 L HN 0.481 nan 8.230 nan 0.000 0.432 12 K N 0.041 120.432 120.400 -0.015 0.000 2.002 12 K HA -0.202 4.120 4.320 0.003 0.000 0.209 12 K C 1.662 178.257 176.600 -0.008 0.000 1.048 12 K CA 1.764 58.039 56.287 -0.019 0.000 0.930 12 K CB -0.070 32.412 32.500 -0.030 0.000 0.714 12 K HN 0.262 nan 8.250 nan 0.000 0.438 13 D N 0.338 120.735 120.400 -0.005 0.000 2.315 13 D HA -0.154 4.488 4.640 0.003 0.000 0.211 13 D C 1.132 177.435 176.300 0.005 0.000 0.977 13 D CA 1.054 55.054 54.000 0.000 0.000 0.894 13 D CB 0.021 40.823 40.800 0.003 0.000 0.910 13 D HN 0.263 nan 8.370 nan 0.000 0.490 14 R N -0.851 119.653 120.500 0.007 0.000 2.468 14 R HA 0.275 4.617 4.340 0.003 0.000 0.280 14 R C 0.979 177.287 176.300 0.013 0.000 0.963 14 R CA 0.332 56.439 56.100 0.012 0.000 1.083 14 R CB 0.880 31.190 30.300 0.016 0.000 1.200 14 R HN 0.078 nan 8.270 nan 0.000 0.541 15 G N 0.729 109.535 108.800 0.010 0.000 2.131 15 G HA2 -0.273 3.689 3.960 0.003 0.000 0.223 15 G HA3 -0.273 3.689 3.960 0.003 0.000 0.223 15 G C 0.240 175.151 174.900 0.017 0.000 0.990 15 G CA -0.071 45.038 45.100 0.015 0.000 0.671 15 G HN 0.466 nan 8.290 nan 0.000 0.521 16 A N -0.623 122.202 122.820 0.007 0.000 2.466 16 A HA 0.649 4.971 4.320 0.003 0.000 0.238 16 A C 1.074 178.651 177.584 -0.012 0.000 1.074 16 A CA 1.306 53.344 52.037 0.001 0.000 0.774 16 A CB 0.325 19.316 19.000 -0.015 0.000 1.015 16 A HN 0.561 nan 8.150 nan 0.000 0.498 17 Q N -0.549 119.239 119.800 -0.019 0.000 2.171 17 Q HA 0.449 4.791 4.340 0.003 0.000 0.250 17 Q C 0.086 176.016 176.000 -0.116 0.000 0.791 17 Q CA 0.601 56.383 55.803 -0.036 0.000 0.950 17 Q CB 0.946 29.695 28.738 0.017 0.000 1.151 17 Q HN 0.982 nan 8.270 nan 0.000 0.480 18 A N 0.816 123.526 122.820 -0.183 0.000 2.467 18 A HA 0.751 5.073 4.320 0.003 0.000 0.301 18 A C -1.927 175.410 177.584 -0.411 0.000 1.126 18 A CA -0.612 51.181 52.037 -0.408 0.000 0.632 18 A CB 1.235 19.873 19.000 -0.603 0.000 1.331 18 A HN 0.095 nan 8.150 nan 0.000 0.482 19 M N 1.204 120.446 119.600 -0.596 0.000 2.197 19 M HA 0.519 5.000 4.480 0.003 0.000 0.226 19 M C -2.055 174.013 176.300 -0.387 0.000 0.970 19 M CA -0.224 54.850 55.300 -0.376 0.000 1.036 19 M CB 0.285 32.711 32.600 -0.290 0.000 2.437 19 M HN 0.546 nan 8.290 nan 0.000 0.432 20 F N 2.155 122.097 119.950 -0.014 0.000 2.418 20 F HA 0.822 5.351 4.527 0.004 0.000 0.341 20 F C 1.205 177.045 175.800 0.067 0.000 1.120 20 F CA 0.627 58.656 58.000 0.048 0.000 1.232 20 F CB 1.283 40.324 39.000 0.069 0.000 1.175 20 F HN 0.628 nan 8.300 nan 0.000 0.569 21 G N 1.650 110.648 108.800 0.330 0.000 2.325 21 G HA2 0.489 4.450 3.960 0.003 0.000 0.297 21 G HA3 0.489 4.450 3.960 0.003 0.000 0.297 21 G C -2.062 173.129 174.900 0.486 0.000 1.448 21 G CA -0.980 44.358 45.100 0.397 0.000 0.838 21 G HN 0.536 nan 8.290 nan 0.000 0.579 22 I N 1.972 122.795 120.570 0.422 0.000 2.499 22 I HA 0.411 4.582 4.170 0.003 0.000 0.288 22 I C -2.218 173.798 176.117 -0.168 0.000 1.048 22 I CA -2.069 59.329 61.300 0.164 0.000 1.062 22 I CB 2.972 41.041 38.000 0.115 0.000 1.238 22 I HN 0.298 nan 8.210 nan 0.000 0.426 23 P HA 0.496 nan 4.420 nan 0.000 0.279 23 P C -0.452 176.632 177.300 -0.361 0.000 1.276 23 P CA -0.145 62.407 63.100 -0.914 0.000 0.801 23 P CB 1.980 33.003 31.700 -1.127 0.000 1.127 24 G N -0.481 108.149 108.800 -0.283 0.000 2.608 24 G HA2 0.283 4.245 3.960 0.003 0.000 0.291 24 G HA3 0.283 4.245 3.960 0.003 0.000 0.291 24 G C -0.282 174.523 174.900 -0.158 0.000 1.425 24 G CA -0.501 44.502 45.100 -0.160 0.000 0.787 24 G HN 0.319 nan 8.290 nan 0.000 0.484 25 D N -0.015 120.251 120.400 -0.222 0.000 2.633 25 D HA -0.275 4.366 4.640 0.003 0.000 0.206 25 D C 1.930 178.112 176.300 -0.197 0.000 1.055 25 D CA 2.550 56.358 54.000 -0.321 0.000 0.903 25 D CB -0.353 40.035 40.800 -0.687 0.000 1.115 25 D HN 0.390 nan 8.370 nan 0.000 0.479 26 F N -0.124 119.829 119.950 0.006 0.000 2.449 26 F HA -0.020 4.506 4.527 -0.001 0.000 0.299 26 F C 2.242 178.062 175.800 0.034 0.000 1.092 26 F CA 0.370 58.375 58.000 0.009 0.000 1.446 26 F CB -0.065 38.935 39.000 -0.000 0.000 1.084 26 F HN 0.014 nan 8.300 nan 0.000 0.567 27 A N -0.409 122.507 122.820 0.159 0.000 2.303 27 A HA 0.212 4.533 4.320 0.003 0.000 0.217 27 A C 1.920 179.607 177.584 0.171 0.000 1.205 27 A CA -0.106 52.033 52.037 0.171 0.000 0.875 27 A CB -0.421 18.629 19.000 0.083 0.000 0.910 27 A HN 0.347 nan 8.150 nan 0.000 0.501 28 L N -0.054 121.199 121.223 0.050 0.000 2.012 28 L HA -0.128 4.214 4.340 0.003 0.000 0.210 28 L C -0.538 176.428 176.870 0.159 0.000 1.073 28 L CA 1.619 56.488 54.840 0.049 0.000 0.748 28 L CB -1.335 40.721 42.059 -0.003 0.000 0.891 28 L HN 0.218 nan 8.230 nan 0.000 0.431 29 P HA -0.224 nan 4.420 nan 0.000 0.216 29 P C 1.464 178.879 177.300 0.191 0.000 1.150 29 P CA 1.433 64.623 63.100 0.149 0.000 0.837 29 P CB -0.033 31.752 31.700 0.141 0.000 0.786 30 F N -1.600 118.441 119.950 0.150 0.000 2.293 30 F HA 0.011 4.539 4.527 0.001 0.000 0.297 30 F C 1.762 177.659 175.800 0.162 0.000 1.089 30 F CA 0.954 59.037 58.000 0.139 0.000 1.377 30 F CB -0.416 38.675 39.000 0.152 0.000 1.051 30 F HN -0.246 nan 8.300 nan 0.000 0.511 31 F N 0.939 120.879 119.950 -0.018 0.000 2.259 31 F HA 0.006 4.533 4.527 -0.001 0.000 0.298 31 F C 2.433 178.141 175.800 -0.153 0.000 1.088 31 F CA 1.136 59.073 58.000 -0.105 0.000 1.358 31 F CB -0.739 38.275 39.000 0.022 0.000 1.040 31 F HN -0.100 nan 8.300 nan 0.000 0.505 32 K N 0.250 120.699 120.400 0.082 0.000 2.026 32 K HA -0.125 4.197 4.320 0.003 0.000 0.208 32 K C 1.840 178.392 176.600 -0.079 0.000 1.048 32 K CA 1.553 57.846 56.287 0.011 0.000 0.929 32 K CB -0.192 32.328 32.500 0.033 0.000 0.713 32 K HN 0.104 nan 8.250 nan 0.000 0.439 33 V N 0.859 120.687 119.914 -0.143 0.000 2.970 33 V HA -0.097 4.025 4.120 0.003 0.000 0.260 33 V C 2.167 178.089 176.094 -0.287 0.000 1.100 33 V CA 1.489 63.677 62.300 -0.186 0.000 1.122 33 V CB -0.142 31.571 31.823 -0.183 0.000 0.721 33 V HN 0.424 nan 8.190 nan 0.000 0.483 34 A N -0.198 122.372 122.820 -0.417 0.000 1.930 34 A HA -0.141 4.181 4.320 0.003 0.000 0.215 34 A C 2.266 179.681 177.584 -0.282 0.000 1.176 34 A CA 1.513 53.272 52.037 -0.462 0.000 0.632 34 A CB -0.215 18.382 19.000 -0.673 0.000 0.819 34 A HN 0.552 nan 8.150 nan 0.000 0.445 35 E N -0.120 119.962 120.200 -0.198 0.000 2.021 35 E HA -0.157 4.195 4.350 0.003 0.000 0.189 35 E C 1.923 178.463 176.600 -0.100 0.000 0.980 35 E CA 0.945 57.272 56.400 -0.121 0.000 0.803 35 E CB -0.135 29.533 29.700 -0.053 0.000 0.766 35 E HN 0.666 nan 8.360 nan 0.000 0.449 36 E N -0.248 119.901 120.200 -0.085 0.000 2.097 36 E HA -0.214 4.138 4.350 0.003 0.000 0.196 36 E C 2.191 178.746 176.600 -0.074 0.000 1.000 36 E CA 1.927 58.287 56.400 -0.066 0.000 0.804 36 E CB -0.149 29.519 29.700 -0.053 0.000 0.740 36 E HN 0.453 nan 8.360 nan 0.000 0.454 37 T N -2.841 111.654 114.554 -0.099 0.000 2.904 37 T HA -0.123 4.229 4.350 0.003 0.000 0.267 37 T C 1.642 176.286 174.700 -0.093 0.000 1.059 37 T CA 1.768 63.811 62.100 -0.094 0.000 1.137 37 T CB -0.292 68.508 68.868 -0.113 0.000 0.879 37 T HN 0.326 nan 8.240 nan 0.000 0.467 38 Q N 0.105 119.836 119.800 -0.114 0.000 2.416 38 Q HA -0.210 4.132 4.340 0.003 0.000 0.235 38 Q C 1.435 177.366 176.000 -0.115 0.000 0.773 38 Q CA 1.219 56.955 55.803 -0.111 0.000 1.286 38 Q CB -2.993 25.697 28.738 -0.080 0.000 1.556 38 Q HN 0.681 nan 8.270 nan 0.000 0.650 39 I N -0.960 119.537 120.570 -0.122 0.000 2.091 39 I HA -0.049 4.123 4.170 0.003 0.000 0.239 39 I C 1.556 177.598 176.117 -0.125 0.000 1.061 39 I CA 1.496 62.730 61.300 -0.110 0.000 1.317 39 I CB -0.768 37.166 38.000 -0.109 0.000 1.031 39 I HN 0.651 nan 8.210 nan 0.000 0.401 40 L N 0.863 121.986 121.223 -0.167 0.000 2.329 40 L HA 0.368 4.710 4.340 0.003 0.000 0.279 40 L C -2.312 174.394 176.870 -0.273 0.000 1.014 40 L CA -1.846 52.874 54.840 -0.201 0.000 0.814 40 L CB 1.392 43.327 42.059 -0.207 0.000 1.257 40 L HN -0.119 nan 8.230 nan 0.000 0.424 41 P HA -0.010 nan 4.420 nan 0.000 0.264 41 P C -0.809 176.101 177.300 -0.651 0.000 1.193 41 P CA -0.162 62.672 63.100 -0.443 0.000 0.763 41 P CB 0.466 31.883 31.700 -0.472 0.000 0.810 42 L N 5.960 126.890 121.223 -0.489 0.000 2.287 42 L HA 0.268 4.609 4.340 0.003 0.000 0.280 42 L C -0.478 176.222 176.870 -0.282 0.000 1.055 42 L CA -0.247 54.344 54.840 -0.414 0.000 0.863 42 L CB -0.534 41.373 42.059 -0.254 0.000 1.245 42 L HN 0.370 nan 8.230 nan 0.000 0.432 43 H N 2.510 121.466 119.070 -0.191 0.000 2.517 43 H HA 0.515 5.073 4.556 0.004 0.000 0.317 43 H C -0.023 175.366 175.328 0.102 0.000 1.080 43 H CA -0.477 55.546 56.048 -0.042 0.000 1.301 43 H CB 1.150 30.883 29.762 -0.048 0.000 1.425 43 H HN 0.573 nan 8.280 nan 0.000 0.471 44 T N 1.974 116.683 114.554 0.259 0.000 2.823 44 T HA 0.675 5.027 4.350 0.003 0.000 0.279 44 T C 0.200 175.031 174.700 0.218 0.000 0.998 44 T CA -0.885 61.366 62.100 0.251 0.000 0.994 44 T CB 1.103 70.102 68.868 0.217 0.000 0.960 44 T HN 0.296 nan 8.240 nan 0.000 0.448 45 L N 1.754 123.104 121.223 0.211 0.000 2.335 45 L HA 0.488 4.830 4.340 0.003 0.000 0.268 45 L C 1.506 178.460 176.870 0.140 0.000 1.016 45 L CA -1.135 53.798 54.840 0.157 0.000 0.805 45 L CB 1.521 43.662 42.059 0.136 0.000 1.311 45 L HN 0.707 nan 8.230 nan 0.000 0.456 46 S N -2.411 113.364 115.700 0.126 0.000 2.395 46 S HA -0.019 4.452 4.470 0.003 0.000 0.225 46 S C 0.250 174.947 174.600 0.162 0.000 1.027 46 S CA 0.738 59.009 58.200 0.118 0.000 0.965 46 S CB -0.070 63.190 63.200 0.100 0.000 0.812 46 S HN 0.502 nan 8.310 nan 0.000 0.482 47 H N -0.427 118.688 119.070 0.075 0.000 2.717 47 H HA 0.244 4.802 4.556 0.002 0.000 0.366 47 H C 0.120 175.487 175.328 0.065 0.000 1.132 47 H CA -0.623 55.468 56.048 0.073 0.000 1.180 47 H CB 1.437 31.250 29.762 0.086 0.000 1.678 47 H HN -0.077 nan 8.280 nan 0.000 0.537 48 E N 2.932 123.217 120.200 0.142 0.000 2.130 48 E HA -0.152 4.200 4.350 0.003 0.000 0.196 48 E C -1.257 175.284 176.600 -0.098 0.000 0.998 48 E CA 1.597 58.009 56.400 0.021 0.000 0.806 48 E CB -0.740 28.971 29.700 0.020 0.000 0.738 48 E HN 0.562 nan 8.360 nan 0.000 0.459 49 P HA -0.186 nan 4.420 nan 0.000 0.216 49 P C 0.889 178.088 177.300 -0.169 0.000 1.150 49 P CA 2.009 64.941 63.100 -0.281 0.000 0.837 49 P CB 0.018 31.601 31.700 -0.195 0.000 0.786 50 A N -0.998 121.849 122.820 0.045 0.000 1.968 50 A HA -0.091 4.231 4.320 0.003 0.000 0.217 50 A C 2.277 179.852 177.584 -0.016 0.000 1.169 50 A CA 1.139 53.238 52.037 0.103 0.000 0.638 50 A CB -1.555 17.482 19.000 0.060 0.000 0.812 50 A HN -0.008 nan 8.150 nan 0.000 0.446 51 V N -0.032 119.878 119.914 -0.007 0.000 2.255 51 V HA -0.236 3.886 4.120 0.003 0.000 0.247 51 V C 2.795 178.865 176.094 -0.040 0.000 1.051 51 V CA 2.239 64.555 62.300 0.025 0.000 1.018 51 V CB -1.271 30.611 31.823 0.098 0.000 0.641 51 V HN 0.596 nan 8.190 nan 0.000 0.445 52 G N -1.293 107.441 108.800 -0.111 0.000 2.394 52 G HA2 -0.193 3.769 3.960 0.003 0.000 0.215 52 G HA3 -0.193 3.769 3.960 0.003 0.000 0.215 52 G C 1.411 176.235 174.900 -0.126 0.000 1.165 52 G CA 0.565 45.582 45.100 -0.137 0.000 0.784 52 G HN 0.426 nan 8.290 nan 0.000 0.535 53 F N 1.859 121.746 119.950 -0.105 0.000 2.171 53 F HA 0.079 4.608 4.527 0.003 0.000 0.300 53 F C 2.938 178.525 175.800 -0.355 0.000 1.090 53 F CA 0.500 58.385 58.000 -0.192 0.000 1.293 53 F CB -0.586 38.250 39.000 -0.272 0.000 1.013 53 F HN 0.253 nan 8.300 nan 0.000 0.486 54 A N -0.217 122.448 122.820 -0.259 0.000 1.897 54 A HA 0.080 4.402 4.320 0.003 0.000 0.215 54 A C 2.442 179.661 177.584 -0.609 0.000 1.181 54 A CA 1.384 53.052 52.037 -0.615 0.000 0.620 54 A CB -1.231 17.150 19.000 -1.031 0.000 0.821 54 A HN 0.260 nan 8.150 nan 0.000 0.443 55 A N 0.064 122.656 122.820 -0.380 0.000 1.908 55 A HA -0.245 4.077 4.320 0.003 0.000 0.218 55 A C 1.929 179.543 177.584 0.049 0.000 1.181 55 A CA 2.079 54.124 52.037 0.014 0.000 0.627 55 A CB -0.672 18.411 19.000 0.138 0.000 0.818 55 A HN 0.513 nan 8.150 nan 0.000 0.445 56 D N 0.113 120.535 120.400 0.037 0.000 2.103 56 D HA -0.164 4.477 4.640 0.003 0.000 0.190 56 D C 2.151 178.520 176.300 0.115 0.000 0.997 56 D CA 2.000 56.071 54.000 0.117 0.000 0.833 56 D CB -0.313 40.633 40.800 0.244 0.000 0.961 56 D HN 0.340 nan 8.370 nan 0.000 0.447 57 A N 0.702 123.554 122.820 0.053 0.000 1.898 57 A HA 0.058 4.380 4.320 0.003 0.000 0.216 57 A C 2.397 180.038 177.584 0.095 0.000 1.181 57 A CA 2.323 54.397 52.037 0.062 0.000 0.620 57 A CB -0.880 18.075 19.000 -0.075 0.000 0.819 57 A HN 0.323 nan 8.150 nan 0.000 0.442 58 A N -0.424 122.438 122.820 0.069 0.000 2.076 58 A HA 0.176 4.498 4.320 0.003 0.000 0.220 58 A C 2.306 180.001 177.584 0.184 0.000 1.160 58 A CA 1.990 54.129 52.037 0.170 0.000 0.653 58 A CB -0.639 18.601 19.000 0.399 0.000 0.801 58 A HN 0.933 nan 8.150 nan 0.000 0.455 59 A N -0.248 122.661 122.820 0.149 0.000 1.887 59 A HA 0.031 4.353 4.320 0.003 0.000 0.212 59 A C 2.213 179.857 177.584 0.099 0.000 1.198 59 A CA 0.916 53.023 52.037 0.117 0.000 0.628 59 A CB -0.318 18.739 19.000 0.095 0.000 0.847 59 A HN 0.490 nan 8.150 nan 0.000 0.449 60 R N -1.854 118.708 120.500 0.104 0.000 2.075 60 R HA -0.122 4.219 4.340 0.003 0.000 0.232 60 R C 2.085 178.435 176.300 0.083 0.000 1.126 60 R CA 1.536 57.678 56.100 0.070 0.000 0.963 60 R CB -0.676 29.671 30.300 0.079 0.000 0.858 60 R HN 0.620 nan 8.270 nan 0.000 0.435 61 Y N 1.794 122.100 120.300 0.010 0.000 1.979 61 Y HA -0.314 4.238 4.550 0.003 0.000 0.262 61 Y C 2.266 178.165 175.900 -0.001 0.000 1.142 61 Y CA 2.204 60.306 58.100 0.003 0.000 1.096 61 Y CB -0.285 38.185 38.460 0.017 0.000 0.958 61 Y HN -0.081 nan 8.280 nan 0.000 0.484 62 S N -0.394 115.447 115.700 0.236 0.000 2.603 62 S HA 0.011 4.482 4.470 0.003 0.000 0.220 62 S C 0.372 174.991 174.600 0.032 0.000 0.967 62 S CA 0.736 59.003 58.200 0.112 0.000 0.920 62 S CB -0.380 62.925 63.200 0.175 0.000 0.773 62 S HN 0.458 nan 8.310 nan 0.000 0.529 63 S N 1.386 117.098 115.700 0.021 0.000 3.527 63 S HA -0.124 4.348 4.470 0.003 0.000 0.409 63 S C -0.035 174.567 174.600 0.003 0.000 0.900 63 S CA 0.811 59.002 58.200 -0.015 0.000 1.320 63 S CB -1.435 61.734 63.200 -0.051 0.000 0.915 63 S HN 0.687 nan 8.310 nan 0.000 0.575 64 T N -0.041 114.529 114.554 0.027 0.000 2.637 64 T HA 0.603 4.955 4.350 0.003 0.000 0.303 64 T C -1.096 173.629 174.700 0.041 0.000 1.288 64 T CA -0.880 61.239 62.100 0.032 0.000 1.040 64 T CB 0.618 69.513 68.868 0.044 0.000 1.644 64 T HN 0.275 nan 8.240 nan 0.000 0.480 65 L N 2.170 123.419 121.223 0.043 0.000 2.360 65 L HA 0.532 4.874 4.340 0.003 0.000 0.276 65 L C 1.307 178.221 176.870 0.073 0.000 1.121 65 L CA -0.513 54.358 54.840 0.050 0.000 0.845 65 L CB 0.526 42.609 42.059 0.041 0.000 1.143 65 L HN 0.786 nan 8.230 nan 0.000 0.452 66 G N 2.663 111.518 108.800 0.091 0.000 2.547 66 G HA2 0.535 4.497 3.960 0.003 0.000 0.291 66 G HA3 0.535 4.497 3.960 0.003 0.000 0.291 66 G C -0.792 174.185 174.900 0.129 0.000 1.211 66 G CA -0.352 44.830 45.100 0.137 0.000 0.950 66 G HN 0.355 nan 8.290 nan 0.000 0.504 67 V N 0.214 120.239 119.914 0.185 0.000 2.509 67 V HA 0.589 4.711 4.120 0.003 0.000 0.289 67 V C -0.022 176.182 176.094 0.185 0.000 1.026 67 V CA -0.773 61.605 62.300 0.131 0.000 0.872 67 V CB 1.146 32.998 31.823 0.048 0.000 1.017 67 V HN 1.121 nan 8.190 nan 0.000 0.436 68 A N 3.820 126.722 122.820 0.137 0.000 2.256 68 A HA 0.899 5.221 4.320 0.003 0.000 0.317 68 A C 0.210 177.858 177.584 0.106 0.000 1.318 68 A CA -0.167 51.957 52.037 0.145 0.000 0.894 68 A CB 0.956 20.022 19.000 0.110 0.000 1.165 68 A HN 1.315 nan 8.150 nan 0.000 0.525 69 A N 2.786 125.694 122.820 0.148 0.000 2.258 69 A HA 0.682 5.004 4.320 0.003 0.000 0.316 69 A C 0.082 177.864 177.584 0.330 0.000 1.279 69 A CA -0.179 51.969 52.037 0.185 0.000 0.876 69 A CB 0.312 19.384 19.000 0.120 0.000 1.170 69 A HN 2.006 nan 8.150 nan 0.000 0.520 70 V N -0.052 119.988 119.914 0.211 0.000 3.141 70 V HA 0.869 4.991 4.120 0.003 0.000 0.312 70 V C 0.033 176.197 176.094 0.116 0.000 1.157 70 V CA -0.466 61.931 62.300 0.162 0.000 1.041 70 V CB 1.322 33.185 31.823 0.067 0.000 1.071 70 V HN 0.801 nan 8.190 nan 0.000 0.441 71 T N 0.124 114.719 114.554 0.067 0.000 2.927 71 T HA 0.515 4.866 4.350 0.003 0.000 0.281 71 T C -0.749 174.027 174.700 0.127 0.000 0.998 71 T CA -0.168 61.988 62.100 0.092 0.000 1.019 71 T CB 0.748 69.635 68.868 0.032 0.000 1.061 71 T HN 0.713 nan 8.240 nan 0.000 0.518 72 Y N 1.869 122.241 120.300 0.120 0.000 2.578 72 Y HA 0.396 4.949 4.550 0.004 0.000 0.339 72 Y C 1.217 177.180 175.900 0.106 0.000 1.231 72 Y CA 1.772 59.943 58.100 0.118 0.000 1.461 72 Y CB -0.052 38.572 38.460 0.273 0.000 1.323 72 Y HN 1.124 nan 8.280 nan 0.000 0.590 73 G N 2.179 110.796 108.800 -0.304 0.000 2.496 73 G HA2 -0.235 3.727 3.960 0.003 0.000 0.243 73 G HA3 -0.235 3.727 3.960 0.003 0.000 0.243 73 G C 0.975 175.876 174.900 0.001 0.000 1.176 73 G CA 0.246 45.309 45.100 -0.062 0.000 0.940 73 G HN 1.381 nan 8.290 nan 0.000 0.573 74 A N -0.264 122.653 122.820 0.162 0.000 1.927 74 A HA 0.085 4.407 4.320 0.003 0.000 0.220 74 A C 3.127 180.788 177.584 0.129 0.000 1.185 74 A CA 3.628 55.782 52.037 0.194 0.000 0.639 74 A CB -1.384 17.706 19.000 0.150 0.000 0.820 74 A HN 2.428 nan 8.150 nan 0.000 0.451 75 G N -0.655 108.187 108.800 0.070 0.000 2.491 75 G HA2 -0.097 3.864 3.960 0.003 0.000 0.218 75 G HA3 -0.097 3.864 3.960 0.003 0.000 0.218 75 G C 1.810 176.730 174.900 0.034 0.000 1.180 75 G CA 1.999 47.132 45.100 0.055 0.000 0.774 75 G HN 0.934 nan 8.290 nan 0.000 0.562 76 A N 0.464 123.245 122.820 -0.065 0.000 1.845 76 A HA 0.119 4.440 4.320 0.003 0.000 0.215 76 A C 2.194 179.855 177.584 0.129 0.000 1.195 76 A CA 1.720 53.721 52.037 -0.060 0.000 0.616 76 A CB -0.702 18.077 19.000 -0.368 0.000 0.832 76 A HN 0.264 nan 8.150 nan 0.000 0.443 77 F N 0.264 120.296 119.950 0.138 0.000 2.192 77 F HA -0.165 4.364 4.527 0.004 0.000 0.301 77 F C 2.013 177.816 175.800 0.005 0.000 1.079 77 F CA 1.495 59.525 58.000 0.050 0.000 1.303 77 F CB -1.022 37.983 39.000 0.009 0.000 1.024 77 F HN 0.301 nan 8.300 nan 0.000 0.494 78 N N -0.432 118.384 118.700 0.193 0.000 2.571 78 N HA -0.109 4.633 4.740 0.003 0.000 0.189 78 N C 1.464 176.966 175.510 -0.013 0.000 1.154 78 N CA 0.426 53.523 53.050 0.077 0.000 0.907 78 N CB -0.164 38.372 38.487 0.081 0.000 0.977 78 N HN 0.350 nan 8.380 nan 0.000 0.449 79 M N -1.443 118.175 119.600 0.030 0.000 2.306 79 M HA 0.169 4.651 4.480 0.003 0.000 0.292 79 M C 0.609 176.883 176.300 -0.043 0.000 1.018 79 M CA 0.084 55.364 55.300 -0.034 0.000 1.007 79 M CB 0.489 33.104 32.600 0.024 0.000 1.510 79 M HN -0.132 nan 8.290 nan 0.000 0.537 80 V N 1.897 121.790 119.914 -0.034 0.000 2.250 80 V HA -0.356 3.766 4.120 0.003 0.000 0.250 80 V C 2.065 178.063 176.094 -0.160 0.000 1.060 80 V CA 2.559 64.740 62.300 -0.199 0.000 1.030 80 V CB -1.237 30.459 31.823 -0.212 0.000 0.643 80 V HN 0.684 nan 8.190 nan 0.000 0.445 81 N N 0.369 119.008 118.700 -0.101 0.000 2.149 81 N HA -0.171 4.570 4.740 0.003 0.000 0.188 81 N C 1.682 177.149 175.510 -0.072 0.000 1.019 81 N CA 1.775 54.806 53.050 -0.032 0.000 0.857 81 N CB -0.358 38.142 38.487 0.021 0.000 0.997 81 N HN 0.467 nan 8.380 nan 0.000 0.426 82 A N -0.206 122.437 122.820 -0.295 0.000 1.902 82 A HA -0.057 4.265 4.320 0.003 0.000 0.217 82 A C 2.379 179.857 177.584 -0.177 0.000 1.181 82 A CA 1.603 53.337 52.037 -0.504 0.000 0.623 82 A CB -0.804 17.663 19.000 -0.889 0.000 0.818 82 A HN 0.181 nan 8.150 nan 0.000 0.443 83 V N -0.053 119.792 119.914 -0.115 0.000 2.407 83 V HA -0.232 3.890 4.120 0.003 0.000 0.248 83 V C 3.028 179.090 176.094 -0.053 0.000 1.055 83 V CA 1.766 64.049 62.300 -0.027 0.000 1.049 83 V CB -1.363 30.479 31.823 0.032 0.000 0.662 83 V HN 0.607 nan 8.190 nan 0.000 0.455 84 A N 0.883 123.628 122.820 -0.125 0.000 1.883 84 A HA -0.153 4.168 4.320 0.003 0.000 0.217 84 A C 2.428 179.740 177.584 -0.453 0.000 1.186 84 A CA 2.179 54.102 52.037 -0.190 0.000 0.624 84 A CB -1.284 17.657 19.000 -0.099 0.000 0.822 84 A HN 0.535 nan 8.150 nan 0.000 0.444 85 G N -0.966 107.438 108.800 -0.660 0.000 2.422 85 G HA2 0.084 4.045 3.960 0.003 0.000 0.218 85 G HA3 0.084 4.045 3.960 0.003 0.000 0.218 85 G C 1.686 176.409 174.900 -0.295 0.000 1.140 85 G CA 1.315 45.828 45.100 -0.977 0.000 0.775 85 G HN 0.793 nan 8.290 nan 0.000 0.545 86 A N 0.118 122.889 122.820 -0.082 0.000 1.873 86 A HA -0.025 4.296 4.320 0.003 0.000 0.215 86 A C 2.163 179.757 177.584 0.016 0.000 1.186 86 A CA 1.630 53.679 52.037 0.020 0.000 0.616 86 A CB -0.701 18.338 19.000 0.065 0.000 0.823 86 A HN 0.465 nan 8.150 nan 0.000 0.442 87 Y N 0.556 120.801 120.300 -0.092 0.000 2.114 87 Y HA -0.096 4.455 4.550 0.002 0.000 0.284 87 Y C 2.648 178.524 175.900 -0.040 0.000 1.143 87 Y CA 1.604 59.674 58.100 -0.049 0.000 1.135 87 Y CB -0.494 37.931 38.460 -0.057 0.000 0.980 87 Y HN 0.306 nan 8.280 nan 0.000 0.499 88 A N -0.009 122.887 122.820 0.127 0.000 2.093 88 A HA -0.232 4.090 4.320 0.003 0.000 0.222 88 A C 1.530 179.152 177.584 0.063 0.000 1.162 88 A CA 2.131 54.219 52.037 0.084 0.000 0.655 88 A CB -0.596 18.327 19.000 -0.127 0.000 0.805 88 A HN 0.700 nan 8.150 nan 0.000 0.461 89 E N -0.869 119.333 120.200 0.002 0.000 2.869 89 E HA 0.140 4.492 4.350 0.003 0.000 0.207 89 E C -0.559 176.040 176.600 -0.001 0.000 0.986 89 E CA -0.474 55.946 56.400 0.034 0.000 1.131 89 E CB 0.437 30.142 29.700 0.009 0.000 1.098 89 E HN 0.262 nan 8.360 nan 0.000 0.459 90 K N -0.109 120.266 120.400 -0.042 0.000 3.035 90 K HA -0.175 4.147 4.320 0.003 0.000 0.262 90 K C -0.312 176.245 176.600 -0.071 0.000 1.024 90 K CA 0.472 56.717 56.287 -0.071 0.000 0.748 90 K CB -2.298 30.194 32.500 -0.014 0.000 1.247 90 K HN 0.134 nan 8.250 nan 0.000 0.482 91 S N 1.891 117.566 115.700 -0.041 0.000 2.434 91 S HA 0.272 4.744 4.470 0.003 0.000 0.318 91 S C -2.024 172.582 174.600 0.011 0.000 1.062 91 S CA -1.458 56.740 58.200 -0.004 0.000 1.116 91 S CB 0.787 64.011 63.200 0.040 0.000 0.977 91 S HN 0.028 nan 8.310 nan 0.000 0.480 92 P HA 0.015 nan 4.420 nan 0.000 0.238 92 P C -0.478 176.854 177.300 0.053 0.000 1.679 92 P CA 0.008 63.121 63.100 0.023 0.000 1.080 92 P CB -0.296 31.409 31.700 0.008 0.000 1.961 93 V N 3.685 123.642 119.914 0.072 0.000 2.408 93 V HA 0.040 4.162 4.120 0.003 0.000 0.267 93 V C 0.935 177.081 176.094 0.087 0.000 1.047 93 V CA -0.433 61.918 62.300 0.086 0.000 0.937 93 V CB 1.512 33.391 31.823 0.093 0.000 0.999 93 V HN 0.109 nan 8.190 nan 0.000 0.472 94 V N 7.095 127.052 119.914 0.072 0.000 2.356 94 V HA 0.143 4.265 4.120 0.003 0.000 0.258 94 V C 0.295 176.410 176.094 0.034 0.000 1.065 94 V CA -0.181 62.148 62.300 0.050 0.000 0.935 94 V CB 1.110 32.951 31.823 0.031 0.000 1.061 94 V HN 0.627 nan 8.190 nan 0.000 0.484 95 V N 7.350 127.286 119.914 0.036 0.000 2.530 95 V HA 0.396 4.518 4.120 0.003 0.000 0.282 95 V C 0.125 176.130 176.094 -0.148 0.000 1.048 95 V CA -0.131 62.170 62.300 0.002 0.000 0.997 95 V CB 1.279 33.158 31.823 0.092 0.000 0.987 95 V HN 0.627 nan 8.190 nan 0.000 0.477 96 I N 4.002 124.468 120.570 -0.173 0.000 2.447 96 I HA 0.436 4.608 4.170 0.003 0.000 0.287 96 I C -0.242 175.701 176.117 -0.291 0.000 1.023 96 I CA -0.150 60.958 61.300 -0.320 0.000 1.083 96 I CB 1.989 39.779 38.000 -0.349 0.000 1.245 96 I HN 0.600 nan 8.210 nan 0.000 0.434 97 S N 4.801 120.276 115.700 -0.374 0.000 2.774 97 S HA 0.571 5.043 4.470 0.003 0.000 0.297 97 S C 0.033 174.555 174.600 -0.131 0.000 1.143 97 S CA -0.558 57.517 58.200 -0.209 0.000 1.090 97 S CB 0.954 64.025 63.200 -0.215 0.000 1.019 97 S HN 0.827 nan 8.310 nan 0.000 0.482 98 G N 3.205 111.979 108.800 -0.042 0.000 2.353 98 G HA2 0.498 4.460 3.960 0.003 0.000 0.239 98 G HA3 0.498 4.460 3.960 0.003 0.000 0.239 98 G C 0.175 175.140 174.900 0.109 0.000 1.295 98 G CA 0.200 45.312 45.100 0.020 0.000 0.884 98 G HN 1.119 nan 8.290 nan 0.000 0.537 99 A N 4.145 126.926 122.820 -0.064 0.000 2.387 99 A HA 0.946 5.268 4.320 0.003 0.000 0.303 99 A C -2.603 174.552 177.584 -0.715 0.000 1.145 99 A CA -1.685 50.120 52.037 -0.387 0.000 0.801 99 A CB 1.523 20.349 19.000 -0.291 0.000 1.342 99 A HN 0.526 nan 8.150 nan 0.000 0.440 100 P HA 0.226 nan 4.420 nan 0.000 0.268 100 P C 0.556 177.543 177.300 -0.523 0.000 1.208 100 P CA 0.474 62.842 63.100 -1.221 0.000 0.777 100 P CB 0.437 31.462 31.700 -1.126 0.000 0.875 101 G N 0.340 108.957 108.800 -0.305 0.000 2.699 101 G HA2 0.147 4.108 3.960 0.003 0.000 0.246 101 G HA3 0.147 4.108 3.960 0.003 0.000 0.246 101 G C 1.015 175.824 174.900 -0.151 0.000 1.219 101 G CA 0.023 45.030 45.100 -0.155 0.000 0.866 101 G HN 0.553 nan 8.290 nan 0.000 0.572 102 T N -3.250 111.244 114.554 -0.099 0.000 3.160 102 T HA 0.012 4.363 4.350 0.003 0.000 0.257 102 T C 1.410 176.071 174.700 -0.065 0.000 1.147 102 T CA 1.197 63.248 62.100 -0.083 0.000 1.064 102 T CB -0.239 68.594 68.868 -0.058 0.000 0.949 102 T HN 0.761 nan 8.240 nan 0.000 0.526 103 T N -1.732 112.786 114.554 -0.061 0.000 3.339 103 T HA 0.395 4.746 4.350 0.003 0.000 0.292 103 T C 0.453 175.131 174.700 -0.037 0.000 1.012 103 T CA -0.679 61.397 62.100 -0.040 0.000 0.937 103 T CB 0.053 68.907 68.868 -0.024 0.000 1.164 103 T HN 0.482 nan 8.240 nan 0.000 0.509 104 E N 0.413 120.577 120.200 -0.059 0.000 2.601 104 E HA 0.294 4.646 4.350 0.003 0.000 0.219 104 E C 1.893 178.461 176.600 -0.052 0.000 0.964 104 E CA -0.214 56.158 56.400 -0.046 0.000 1.050 104 E CB 0.242 29.909 29.700 -0.056 0.000 1.068 104 E HN 0.465 nan 8.360 nan 0.000 0.496 105 G N 2.105 110.868 108.800 -0.063 0.000 3.147 105 G HA2 -0.346 3.616 3.960 0.003 0.000 0.301 105 G HA3 -0.346 3.616 3.960 0.003 0.000 0.301 105 G C 0.313 175.194 174.900 -0.032 0.000 1.053 105 G CA 1.484 46.554 45.100 -0.051 0.000 0.645 105 G HN 0.207 nan 8.290 nan 0.000 0.674 106 N N -0.393 118.296 118.700 -0.018 0.000 2.372 106 N HA 0.667 5.409 4.740 0.003 0.000 0.285 106 N C 0.388 175.921 175.510 0.038 0.000 1.008 106 N CA 0.245 53.303 53.050 0.012 0.000 0.880 106 N CB 1.750 40.252 38.487 0.024 0.000 1.239 106 N HN 0.321 nan 8.380 nan 0.000 0.484 107 A N 1.234 124.092 122.820 0.062 0.000 2.495 107 A HA 0.679 5.001 4.320 0.003 0.000 0.260 107 A C 1.125 178.785 177.584 0.127 0.000 1.608 107 A CA 0.475 52.584 52.037 0.120 0.000 0.834 107 A CB -0.391 18.695 19.000 0.144 0.000 1.526 107 A HN 0.690 nan 8.150 nan 0.000 0.578 108 G N -2.070 106.822 108.800 0.152 0.000 3.738 108 G HA2 0.449 4.411 3.960 0.003 0.000 0.241 108 G HA3 0.449 4.411 3.960 0.003 0.000 0.241 108 G C -0.229 174.737 174.900 0.109 0.000 1.068 108 G CA -0.107 45.069 45.100 0.128 0.000 0.899 108 G HN 0.320 nan 8.290 nan 0.000 0.519 109 L N 1.417 122.710 121.223 0.116 0.000 2.370 109 L HA 0.633 4.975 4.340 0.003 0.000 0.266 109 L C -0.276 176.638 176.870 0.073 0.000 1.002 109 L CA -0.854 54.038 54.840 0.086 0.000 0.818 109 L CB 2.198 44.314 42.059 0.095 0.000 1.325 109 L HN -0.078 nan 8.230 nan 0.000 0.418 120 T N -0.230 114.460 114.554 0.226 0.000 3.321 120 T HA 0.041 4.393 4.350 0.003 0.000 0.251 120 T C 1.451 176.329 174.700 0.297 0.000 0.999 120 T CA 0.689 62.929 62.100 0.234 0.000 1.186 120 T CB 0.259 69.270 68.868 0.240 0.000 1.163 120 T HN 0.298 nan 8.240 nan 0.000 0.399 121 Q N 0.247 120.211 119.800 0.273 0.000 2.135 121 Q HA -0.116 4.225 4.340 0.003 0.000 0.204 121 Q C 1.950 178.000 176.000 0.084 0.000 0.981 121 Q CA 1.623 57.459 55.803 0.055 0.000 0.856 121 Q CB -0.294 28.184 28.738 -0.434 0.000 0.902 121 Q HN 0.494 nan 8.270 nan 0.000 0.425 122 F N 0.721 120.696 119.950 0.041 0.000 2.134 122 F HA -0.243 4.284 4.527 0.001 0.000 0.299 122 F C 2.308 178.112 175.800 0.007 0.000 1.097 122 F CA 1.352 59.367 58.000 0.025 0.000 1.264 122 F CB 0.137 39.215 39.000 0.131 0.000 1.001 122 F HN 0.165 nan 8.300 nan 0.000 0.479 123 Q N -0.209 119.788 119.800 0.329 0.000 2.224 123 Q HA -0.099 4.242 4.340 0.003 0.000 0.203 123 Q C 2.464 178.508 176.000 0.074 0.000 0.970 123 Q CA 1.271 57.199 55.803 0.209 0.000 0.865 123 Q CB -0.853 27.977 28.738 0.152 0.000 0.922 123 Q HN 0.376 nan 8.270 nan 0.000 0.445 124 V N -0.003 119.945 119.914 0.057 0.000 2.323 124 V HA -0.172 3.950 4.120 0.003 0.000 0.244 124 V C 1.898 177.827 176.094 -0.275 0.000 1.041 124 V CA 1.445 63.708 62.300 -0.062 0.000 1.025 124 V CB -0.633 31.235 31.823 0.076 0.000 0.656 124 V HN 0.139 nan 8.190 nan 0.000 0.451 125 F N 0.349 120.080 119.950 -0.365 0.000 2.367 125 F HA 0.002 4.532 4.527 0.005 0.000 0.298 125 F C 2.328 177.905 175.800 -0.373 0.000 1.094 125 F CA 1.316 59.007 58.000 -0.516 0.000 1.409 125 F CB -0.303 37.997 39.000 -1.168 0.000 1.064 125 F HN 0.006 nan 8.300 nan 0.000 0.528 126 K N 0.375 120.693 120.400 -0.137 0.000 2.152 126 K HA -0.182 4.140 4.320 0.003 0.000 0.206 126 K C 1.880 178.453 176.600 -0.045 0.000 1.048 126 K CA 1.289 57.568 56.287 -0.012 0.000 0.933 126 K CB -0.002 32.591 32.500 0.155 0.000 0.721 126 K HN 0.096 nan 8.250 nan 0.000 0.447 127 E N 0.344 120.481 120.200 -0.105 0.000 2.268 127 E HA -0.129 4.223 4.350 0.003 0.000 0.195 127 E C 1.554 177.990 176.600 -0.273 0.000 0.995 127 E CA 1.068 57.377 56.400 -0.153 0.000 0.836 127 E CB 0.175 29.787 29.700 -0.147 0.000 0.763 127 E HN 0.596 nan 8.360 nan 0.000 0.491 128 I N -2.207 118.175 120.570 -0.314 0.000 4.050 128 I HA 0.198 4.370 4.170 0.003 0.000 0.327 128 I C 0.380 176.306 176.117 -0.318 0.000 1.473 128 I CA -0.310 60.714 61.300 -0.459 0.000 1.124 128 I CB 0.529 38.307 38.000 -0.370 0.000 1.129 128 I HN -0.228 nan 8.210 nan 0.000 0.428 129 T N -1.415 113.080 114.554 -0.098 0.000 2.883 129 T HA 0.519 4.871 4.350 0.003 0.000 0.284 129 T C 0.859 175.709 174.700 0.250 0.000 1.041 129 T CA 0.068 62.270 62.100 0.170 0.000 1.007 129 T CB 2.001 70.970 68.868 0.169 0.000 1.220 129 T HN -0.005 nan 8.240 nan 0.000 0.552 130 V N -2.966 117.116 119.914 0.280 0.000 3.212 130 V HA 0.744 4.865 4.120 0.003 0.000 0.244 130 V C 0.663 176.876 176.094 0.198 0.000 1.151 130 V CA 0.518 62.971 62.300 0.255 0.000 1.119 130 V CB -0.689 31.272 31.823 0.231 0.000 0.838 130 V HN 1.239 nan 8.190 nan 0.000 0.470 131 A N -0.028 122.902 122.820 0.184 0.000 2.539 131 A HA 0.922 5.244 4.320 0.003 0.000 0.296 131 A C -1.257 176.424 177.584 0.160 0.000 1.073 131 A CA -0.653 51.485 52.037 0.168 0.000 0.700 131 A CB 2.161 21.262 19.000 0.169 0.000 1.296 131 A HN 0.454 nan 8.150 nan 0.000 0.405 132 Q N -0.908 118.996 119.800 0.173 0.000 2.626 132 Q HA 0.896 5.238 4.340 0.003 0.000 0.300 132 Q C -0.899 175.233 176.000 0.219 0.000 0.988 132 Q CA -0.063 55.841 55.803 0.168 0.000 0.761 132 Q CB 2.179 30.996 28.738 0.131 0.000 1.494 132 Q HN 2.123 nan 8.270 nan 0.000 0.439 133 A N 0.411 123.357 122.820 0.209 0.000 2.580 133 A HA 0.631 4.953 4.320 0.003 0.000 0.301 133 A C -1.785 175.909 177.584 0.183 0.000 1.054 133 A CA -0.685 51.488 52.037 0.226 0.000 0.751 133 A CB 1.334 20.394 19.000 0.099 0.000 1.275 133 A HN 0.479 nan 8.150 nan 0.000 0.403 134 R N 2.724 123.361 120.500 0.229 0.000 2.215 134 R HA 0.478 4.819 4.340 0.003 0.000 0.336 134 R C -0.899 175.422 176.300 0.035 0.000 0.996 134 R CA -0.641 55.544 56.100 0.142 0.000 0.847 134 R CB 0.360 30.763 30.300 0.171 0.000 1.127 134 R HN 0.717 nan 8.270 nan 0.000 0.465 135 L N 5.920 127.133 121.223 -0.016 0.000 2.400 135 L HA 0.062 4.404 4.340 0.003 0.000 0.262 135 L C 0.198 177.054 176.870 -0.023 0.000 1.309 135 L CA 0.122 54.948 54.840 -0.023 0.000 1.186 135 L CB -0.164 41.870 42.059 -0.042 0.000 1.375 135 L HN 0.670 nan 8.230 nan 0.000 0.433 136 D N -1.680 118.710 120.400 -0.016 0.000 2.431 136 D HA 0.029 4.671 4.640 0.003 0.000 0.213 136 D C 0.210 176.499 176.300 -0.018 0.000 1.130 136 D CA -0.195 53.791 54.000 -0.023 0.000 0.834 136 D CB 0.434 41.218 40.800 -0.028 0.000 0.985 136 D HN 0.131 nan 8.370 nan 0.000 0.504 137 D N 0.899 121.292 120.400 -0.011 0.000 2.346 137 D HA 0.121 4.763 4.640 0.003 0.000 0.255 137 D C -1.741 174.557 176.300 -0.004 0.000 1.276 137 D CA -1.878 52.117 54.000 -0.009 0.000 0.941 137 D CB 2.002 42.797 40.800 -0.008 0.000 1.199 137 D HN -0.197 nan 8.370 nan 0.000 0.537 138 P HA -0.213 nan 4.420 nan 0.000 0.218 138 P C 1.105 178.406 177.300 0.001 0.000 1.147 138 P CA 0.961 64.062 63.100 0.000 0.000 0.827 138 P CB 0.395 32.096 31.700 0.001 0.000 0.778 139 A N 0.506 123.325 122.820 -0.000 0.000 1.872 139 A HA -0.122 4.200 4.320 0.003 0.000 0.214 139 A C 2.165 179.750 177.584 0.002 0.000 1.187 139 A CA 1.474 53.511 52.037 0.000 0.000 0.614 139 A CB -0.752 18.247 19.000 -0.001 0.000 0.826 139 A HN 0.195 nan 8.150 nan 0.000 0.442 140 K N -0.075 120.326 120.400 0.001 0.000 2.361 140 K HA 0.275 4.596 4.320 0.003 0.000 0.196 140 K C 2.075 178.678 176.600 0.006 0.000 1.039 140 K CA 0.518 56.807 56.287 0.003 0.000 1.001 140 K CB -0.141 32.360 32.500 0.002 0.000 0.795 140 K HN 0.390 nan 8.250 nan 0.000 0.495 141 A N 2.901 125.724 122.820 0.005 0.000 1.869 141 A HA -0.170 4.151 4.320 0.003 0.000 0.218 141 A C -0.595 176.995 177.584 0.010 0.000 1.203 141 A CA 1.579 53.619 52.037 0.005 0.000 0.638 141 A CB -1.657 17.345 19.000 0.004 0.000 0.831 141 A HN 0.123 nan 8.150 nan 0.000 0.450 142 P HA -0.271 nan 4.420 nan 0.000 0.212 142 P C 1.815 179.125 177.300 0.018 0.000 1.174 142 P CA 2.534 65.642 63.100 0.014 0.000 0.934 142 P CB -0.263 31.444 31.700 0.012 0.000 0.791 143 A N -0.621 122.209 122.820 0.017 0.000 1.940 143 A HA -0.240 4.082 4.320 0.003 0.000 0.219 143 A C 2.242 179.843 177.584 0.028 0.000 1.176 143 A CA 1.661 53.711 52.037 0.022 0.000 0.631 143 A CB -1.211 17.799 19.000 0.016 0.000 0.814 143 A HN 0.107 nan 8.150 nan 0.000 0.446 144 E N 0.051 120.265 120.200 0.023 0.000 2.058 144 E HA -0.179 4.173 4.350 0.003 0.000 0.194 144 E C 2.020 178.640 176.600 0.033 0.000 0.997 144 E CA 1.266 57.683 56.400 0.028 0.000 0.801 144 E CB -0.401 29.313 29.700 0.022 0.000 0.746 144 E HN 0.733 nan 8.360 nan 0.000 0.450 145 I N 0.893 121.478 120.570 0.024 0.000 2.142 145 I HA -0.289 3.882 4.170 0.003 0.000 0.240 145 I C 2.559 178.699 176.117 0.040 0.000 1.078 145 I CA 1.111 62.425 61.300 0.023 0.000 1.343 145 I CB -0.505 37.504 38.000 0.016 0.000 1.046 145 I HN 0.012 nan 8.210 nan 0.000 0.405 146 A N 0.914 123.759 122.820 0.042 0.000 1.903 146 A HA -0.302 4.019 4.320 0.003 0.000 0.219 146 A C 2.419 180.053 177.584 0.083 0.000 1.191 146 A CA 2.232 54.302 52.037 0.056 0.000 0.638 146 A CB -0.816 18.213 19.000 0.050 0.000 0.823 146 A HN 0.391 nan 8.150 nan 0.000 0.451 147 R N -0.486 120.063 120.500 0.081 0.000 2.127 147 R HA -0.144 4.198 4.340 0.003 0.000 0.228 147 R C 2.032 178.418 176.300 0.142 0.000 1.125 147 R CA 2.395 58.560 56.100 0.109 0.000 0.904 147 R CB -0.791 29.551 30.300 0.071 0.000 0.831 147 R HN 0.260 nan 8.270 nan 0.000 0.431 148 V N 1.766 121.744 119.914 0.108 0.000 2.278 148 V HA -0.319 3.803 4.120 0.003 0.000 0.251 148 V C 2.532 178.692 176.094 0.109 0.000 1.062 148 V CA 2.165 64.532 62.300 0.111 0.000 1.038 148 V CB -0.597 31.268 31.823 0.070 0.000 0.646 148 V HN 0.386 nan 8.190 nan 0.000 0.447 149 L N 0.363 121.635 121.223 0.081 0.000 1.989 149 L HA -0.132 4.210 4.340 0.003 0.000 0.211 149 L C 2.713 179.632 176.870 0.082 0.000 1.071 149 L CA 1.943 56.823 54.840 0.067 0.000 0.749 149 L CB -1.380 40.708 42.059 0.049 0.000 0.890 149 L HN 0.503 nan 8.230 nan 0.000 0.431 150 G N -0.602 108.267 108.800 0.115 0.000 2.499 150 G HA2 -0.234 3.728 3.960 0.003 0.000 0.221 150 G HA3 -0.234 3.728 3.960 0.003 0.000 0.221 150 G C 1.675 176.664 174.900 0.149 0.000 1.109 150 G CA 0.956 46.139 45.100 0.139 0.000 0.749 150 G HN 0.508 nan 8.290 nan 0.000 0.568 151 A N 1.082 124.040 122.820 0.229 0.000 1.855 151 A HA 0.455 4.777 4.320 0.003 0.000 0.213 151 A C 2.818 180.454 177.584 0.086 0.000 1.195 151 A CA 1.796 54.001 52.037 0.280 0.000 0.610 151 A CB -0.851 18.346 19.000 0.329 0.000 0.837 151 A HN 0.761 nan 8.150 nan 0.000 0.444 152 A N -0.088 122.781 122.820 0.082 0.000 2.024 152 A HA -0.195 4.127 4.320 0.003 0.000 0.220 152 A C 2.223 179.814 177.584 0.011 0.000 1.164 152 A CA 1.784 53.850 52.037 0.049 0.000 0.643 152 A CB -0.410 18.624 19.000 0.057 0.000 0.806 152 A HN 0.575 nan 8.150 nan 0.000 0.451 153 R N -0.752 119.739 120.500 -0.014 0.000 2.055 153 R HA 0.108 4.450 4.340 0.003 0.000 0.226 153 R C 2.596 178.843 176.300 -0.089 0.000 1.135 153 R CA 1.102 57.188 56.100 -0.024 0.000 0.959 153 R CB -0.516 29.760 30.300 -0.041 0.000 0.854 153 R HN 0.443 nan 8.270 nan 0.000 0.431 154 A N 0.761 123.365 122.820 -0.360 0.000 1.908 154 A HA -0.176 4.145 4.320 0.003 0.000 0.218 154 A C 1.879 179.195 177.584 -0.446 0.000 1.181 154 A CA 1.379 52.976 52.037 -0.734 0.000 0.627 154 A CB -0.177 17.708 19.000 -1.859 0.000 0.818 154 A HN 0.178 nan 8.150 nan 0.000 0.445 155 Q N -1.165 118.488 119.800 -0.245 0.000 2.282 155 Q HA 0.134 4.475 4.340 0.003 0.000 0.206 155 Q C 0.568 176.564 176.000 -0.006 0.000 0.878 155 Q CA 0.776 56.528 55.803 -0.086 0.000 0.944 155 Q CB 0.381 29.097 28.738 -0.037 0.000 1.100 155 Q HN 0.637 nan 8.270 nan 0.000 0.509 156 S N 0.591 116.308 115.700 0.028 0.000 3.550 156 S HA -0.225 4.247 4.470 0.003 0.000 0.372 156 S C -0.338 174.212 174.600 -0.083 0.000 0.966 156 S CA 0.633 58.811 58.200 -0.038 0.000 1.229 156 S CB -0.724 62.373 63.200 -0.172 0.000 0.917 156 S HN 0.415 nan 8.310 nan 0.000 0.496 157 R N 0.221 120.686 120.500 -0.057 0.000 2.764 157 R HA 0.530 4.872 4.340 0.003 0.000 0.270 157 R C -3.022 173.306 176.300 0.048 0.000 1.014 157 R CA -2.367 53.680 56.100 -0.087 0.000 0.904 157 R CB 0.979 31.128 30.300 -0.252 0.000 1.236 157 R HN 0.121 nan 8.270 nan 0.000 0.466 158 P HA -0.010 nan 4.420 nan 0.000 0.267 158 P C -0.954 176.459 177.300 0.188 0.000 1.200 158 P CA -0.189 63.014 63.100 0.171 0.000 0.772 158 P CB 0.599 32.428 31.700 0.216 0.000 0.855 159 V N 0.215 120.223 119.914 0.156 0.000 2.962 159 V HA 0.603 4.724 4.120 0.003 0.000 0.313 159 V C -1.454 174.734 176.094 0.157 0.000 1.099 159 V CA -1.005 61.384 62.300 0.149 0.000 0.971 159 V CB 2.066 33.951 31.823 0.103 0.000 1.028 159 V HN 0.343 nan 8.190 nan 0.000 0.430 160 Y N 3.002 123.282 120.300 -0.034 0.000 2.364 160 Y HA 0.823 5.376 4.550 0.005 0.000 0.340 160 Y C -0.961 174.835 175.900 -0.173 0.000 0.975 160 Y CA -1.541 56.467 58.100 -0.154 0.000 1.089 160 Y CB 1.722 40.033 38.460 -0.247 0.000 1.192 160 Y HN 0.777 nan 8.280 nan 0.000 0.454 161 L N 6.104 126.826 121.223 -0.835 0.000 2.404 161 L HA 0.429 4.770 4.340 0.003 0.000 0.272 161 L C -0.881 175.478 176.870 -0.850 0.000 0.980 161 L CA -0.654 53.794 54.840 -0.653 0.000 0.836 161 L CB 2.155 44.005 42.059 -0.348 0.000 1.238 161 L HN 0.607 nan 8.230 nan 0.000 0.408 162 E N 3.981 123.788 120.200 -0.656 0.000 2.166 162 E HA 0.551 4.903 4.350 0.003 0.000 0.275 162 E C -1.096 175.362 176.600 -0.237 0.000 0.941 162 E CA -0.533 55.612 56.400 -0.425 0.000 0.784 162 E CB 1.567 31.161 29.700 -0.177 0.000 1.115 162 E HN 0.464 nan 8.360 nan 0.000 0.399 163 I N 6.484 126.920 120.570 -0.222 0.000 2.495 163 I HA 0.272 4.444 4.170 0.003 0.000 0.277 163 I C -2.328 173.722 176.117 -0.111 0.000 1.045 163 I CA -2.382 58.820 61.300 -0.164 0.000 1.135 163 I CB 1.414 39.281 38.000 -0.223 0.000 1.241 163 I HN 0.299 nan 8.210 nan 0.000 0.469 164 P HA -0.002 nan 4.420 nan 0.000 0.264 164 P C 0.745 178.007 177.300 -0.063 0.000 1.183 164 P CA -0.080 62.944 63.100 -0.128 0.000 0.763 164 P CB 0.519 32.148 31.700 -0.118 0.000 0.807 165 R N 3.931 124.405 120.500 -0.044 0.000 2.105 165 R HA -0.180 4.161 4.340 0.003 0.000 0.239 165 R C 1.109 177.431 176.300 0.036 0.000 1.135 165 R CA 1.774 57.899 56.100 0.041 0.000 0.967 165 R CB -1.128 29.236 30.300 0.108 0.000 0.861 165 R HN 0.430 nan 8.270 nan 0.000 0.442 166 N N 0.723 119.426 118.700 0.005 0.000 2.627 166 N HA -0.095 4.647 4.740 0.003 0.000 0.196 166 N C 0.646 176.160 175.510 0.007 0.000 1.268 166 N CA 0.698 53.753 53.050 0.008 0.000 0.904 166 N CB 0.204 38.687 38.487 -0.006 0.000 1.016 166 N HN 0.374 nan 8.380 nan 0.000 0.448 167 M N -0.523 119.083 119.600 0.010 0.000 2.300 167 M HA 0.155 4.637 4.480 0.003 0.000 0.313 167 M C 1.189 177.511 176.300 0.037 0.000 0.988 167 M CA 0.047 55.354 55.300 0.011 0.000 1.012 167 M CB 0.583 33.178 32.600 -0.009 0.000 1.586 167 M HN -0.091 nan 8.290 nan 0.000 0.562 168 V N 1.492 121.445 119.914 0.065 0.000 2.759 168 V HA -0.160 3.962 4.120 0.003 0.000 0.256 168 V C 1.472 177.615 176.094 0.082 0.000 1.080 168 V CA 1.374 63.743 62.300 0.115 0.000 1.101 168 V CB -0.567 31.355 31.823 0.165 0.000 0.698 168 V HN 0.520 nan 8.190 nan 0.000 0.477 169 N N -0.230 118.501 118.700 0.051 0.000 2.177 169 N HA 0.260 5.002 4.740 0.003 0.000 0.218 169 N C 0.585 176.108 175.510 0.022 0.000 1.182 169 N CA 0.345 53.414 53.050 0.032 0.000 0.882 169 N CB 0.837 39.340 38.487 0.027 0.000 1.052 169 N HN 0.402 nan 8.380 nan 0.000 0.519 170 A N 1.278 124.110 122.820 0.021 0.000 2.492 170 A HA 0.023 4.345 4.320 0.003 0.000 0.254 170 A C 0.638 178.229 177.584 0.011 0.000 1.091 170 A CA 0.003 52.047 52.037 0.013 0.000 0.768 170 A CB 0.308 19.313 19.000 0.010 0.000 1.028 170 A HN 0.182 nan 8.150 nan 0.000 0.498 171 E N 1.052 121.257 120.200 0.008 0.000 2.414 171 E HA 0.328 4.680 4.350 0.003 0.000 0.263 171 E C -0.206 176.397 176.600 0.006 0.000 1.000 171 E CA 0.272 56.676 56.400 0.006 0.000 0.914 171 E CB 0.545 30.247 29.700 0.003 0.000 0.948 171 E HN 0.701 nan 8.360 nan 0.000 0.444 172 V N 0.736 120.654 119.914 0.006 0.000 3.181 172 V HA 0.500 4.622 4.120 0.003 0.000 0.308 172 V C -0.616 175.482 176.094 0.005 0.000 1.214 172 V CA -1.028 61.276 62.300 0.006 0.000 1.053 172 V CB 1.813 33.641 31.823 0.009 0.000 1.069 172 V HN 0.652 nan 8.190 nan 0.000 0.441 173 E N 1.859 122.062 120.200 0.005 0.000 2.349 173 E HA 0.461 4.813 4.350 0.003 0.000 0.262 173 E C -2.482 174.122 176.600 0.006 0.000 1.088 173 E CA -1.597 54.806 56.400 0.005 0.000 0.899 173 E CB 0.825 30.528 29.700 0.005 0.000 1.044 173 E HN 0.658 nan 8.360 nan 0.000 0.420 174 P HA -0.038 nan 4.420 nan 0.000 0.271 174 P C -1.004 176.301 177.300 0.009 0.000 1.233 174 P CA -0.140 62.964 63.100 0.006 0.000 0.789 174 P CB 0.471 32.173 31.700 0.004 0.000 0.951 175 V N 2.032 121.953 119.914 0.011 0.000 2.461 175 V HA 0.351 4.472 4.120 0.003 0.000 0.275 175 V C 1.249 177.353 176.094 0.016 0.000 1.047 175 V CA 0.326 62.635 62.300 0.015 0.000 0.955 175 V CB 0.410 32.243 31.823 0.017 0.000 0.988 175 V HN 0.765 nan 8.190 nan 0.000 0.471 176 G N 3.917 112.728 108.800 0.018 0.000 2.580 176 G HA2 0.195 4.157 3.960 0.003 0.000 0.225 176 G HA3 0.195 4.157 3.960 0.003 0.000 0.225 176 G C -0.278 174.637 174.900 0.025 0.000 1.521 176 G CA -0.403 44.709 45.100 0.020 0.000 1.068 176 G HN 0.626 nan 8.290 nan 0.000 0.564 177 D N 0.084 120.501 120.400 0.028 0.000 2.388 177 D HA 0.267 4.908 4.640 0.003 0.000 0.254 177 D C -0.144 176.186 176.300 0.050 0.000 1.111 177 D CA -0.292 53.729 54.000 0.034 0.000 0.993 177 D CB 0.601 41.419 40.800 0.030 0.000 1.118 177 D HN 0.181 nan 8.370 nan 0.000 0.502 178 D N 1.232 121.668 120.400 0.060 0.000 2.423 178 D HA 0.101 4.743 4.640 0.003 0.000 0.238 178 D C -1.816 174.558 176.300 0.122 0.000 1.142 178 D CA -0.504 53.553 54.000 0.096 0.000 0.884 178 D CB -0.010 40.844 40.800 0.089 0.000 1.199 178 D HN 0.131 nan 8.370 nan 0.000 0.438 179 P HA 0.151 nan 4.420 nan 0.000 0.271 179 P C -0.846 176.591 177.300 0.229 0.000 1.216 179 P CA -0.428 62.756 63.100 0.140 0.000 0.771 179 P CB 0.621 32.377 31.700 0.093 0.000 0.864 180 A N 4.083 126.994 122.820 0.152 0.000 2.522 180 A HA 0.158 4.480 4.320 0.003 0.000 0.256 180 A C -0.226 177.493 177.584 0.226 0.000 1.086 180 A CA -0.233 51.912 52.037 0.180 0.000 0.763 180 A CB -0.477 18.580 19.000 0.096 0.000 1.024 180 A HN 0.478 nan 8.150 nan 0.000 0.502 181 W N 2.042 123.335 121.300 -0.011 0.000 2.183 181 W HA 0.512 5.173 4.660 0.002 0.000 0.348 181 W C -1.914 174.598 176.519 -0.011 0.000 1.257 181 W CA -1.584 55.754 57.345 -0.012 0.000 1.324 181 W CB -0.250 29.197 29.460 -0.021 0.000 1.144 181 W HN 0.456 nan 8.180 nan 0.000 0.622 182 P HA 0.256 nan 4.420 nan 0.000 0.271 182 P C -1.187 176.181 177.300 0.114 0.000 1.216 182 P CA -0.055 63.100 63.100 0.091 0.000 0.771 182 P CB 0.626 32.347 31.700 0.035 0.000 0.864 183 V N 2.696 122.655 119.914 0.075 0.000 2.697 183 V HA 0.173 4.294 4.120 0.003 0.000 0.296 183 V C -0.899 175.223 176.094 0.047 0.000 1.140 183 V CA -0.650 61.687 62.300 0.062 0.000 0.921 183 V CB 2.102 33.956 31.823 0.051 0.000 1.036 183 V HN 0.566 nan 8.190 nan 0.000 0.438 184 D N 4.628 125.057 120.400 0.049 0.000 2.274 184 D HA 0.318 4.960 4.640 0.003 0.000 0.239 184 D C 1.003 177.325 176.300 0.037 0.000 1.104 184 D CA -0.538 53.489 54.000 0.044 0.000 0.840 184 D CB 1.591 42.424 40.800 0.055 0.000 1.100 184 D HN 0.266 nan 8.370 nan 0.000 0.477 185 R N 3.043 123.560 120.500 0.028 0.000 2.103 185 R HA -0.137 4.205 4.340 0.003 0.000 0.234 185 R C 1.282 177.595 176.300 0.023 0.000 1.132 185 R CA 1.376 57.488 56.100 0.021 0.000 0.925 185 R CB -0.649 29.662 30.300 0.017 0.000 0.842 185 R HN 0.642 nan 8.270 nan 0.000 0.430 186 D N 0.635 121.053 120.400 0.029 0.000 2.088 186 D HA -0.171 4.471 4.640 0.003 0.000 0.191 186 D C 1.860 178.191 176.300 0.052 0.000 0.992 186 D CA 1.661 55.682 54.000 0.035 0.000 0.831 186 D CB -0.578 40.245 40.800 0.038 0.000 0.973 186 D HN 0.191 nan 8.370 nan 0.000 0.447 187 A N 1.507 124.373 122.820 0.078 0.000 1.894 187 A HA -0.268 4.054 4.320 0.003 0.000 0.220 187 A C 2.228 179.867 177.584 0.092 0.000 1.237 187 A CA 2.341 54.461 52.037 0.138 0.000 0.660 187 A CB -1.200 17.886 19.000 0.142 0.000 0.835 187 A HN 0.279 nan 8.150 nan 0.000 0.461 188 L N -0.373 120.873 121.223 0.038 0.000 1.963 188 L HA -0.190 4.152 4.340 0.003 0.000 0.220 188 L C 2.719 179.541 176.870 -0.079 0.000 1.076 188 L CA 2.954 57.777 54.840 -0.028 0.000 0.772 188 L CB -1.342 40.712 42.059 -0.009 0.000 0.892 188 L HN 0.478 nan 8.230 nan 0.000 0.435 189 A N -0.325 122.472 122.820 -0.038 0.000 1.896 189 A HA -0.296 4.026 4.320 0.003 0.000 0.220 189 A C 2.491 180.035 177.584 -0.068 0.000 1.206 189 A CA 3.169 55.181 52.037 -0.042 0.000 0.647 189 A CB -1.611 17.382 19.000 -0.012 0.000 0.828 189 A HN 0.783 nan 8.150 nan 0.000 0.455 190 A N -1.378 121.421 122.820 -0.035 0.000 1.917 190 A HA -0.256 4.065 4.320 0.003 0.000 0.219 190 A C 2.463 179.935 177.584 -0.186 0.000 1.182 190 A CA 2.040 54.071 52.037 -0.011 0.000 0.633 190 A CB -1.509 17.571 19.000 0.134 0.000 0.819 190 A HN 0.934 nan 8.150 nan 0.000 0.448 191 C N -0.991 118.011 119.300 -0.498 0.000 2.442 191 C HA 0.089 4.551 4.460 0.003 0.000 0.279 191 C C 3.187 177.895 174.990 -0.470 0.000 1.237 191 C CA 1.402 59.796 59.018 -1.039 0.000 1.722 191 C CB -1.393 25.726 27.740 -1.035 0.000 2.056 191 C HN 0.727 nan 8.230 nan 0.000 0.469 192 A N 0.738 123.393 122.820 -0.275 0.000 1.859 192 A HA -0.249 4.073 4.320 0.003 0.000 0.217 192 A C 1.848 179.351 177.584 -0.135 0.000 1.198 192 A CA 2.574 54.515 52.037 -0.161 0.000 0.629 192 A CB -1.148 17.798 19.000 -0.091 0.000 0.830 192 A HN 0.698 nan 8.150 nan 0.000 0.446 193 D N -0.785 119.552 120.400 -0.106 0.000 2.177 193 D HA -0.250 4.391 4.640 0.003 0.000 0.189 193 D C 1.871 178.135 176.300 -0.060 0.000 1.002 193 D CA 1.935 55.898 54.000 -0.063 0.000 0.845 193 D CB -0.604 40.175 40.800 -0.036 0.000 0.960 193 D HN 0.791 nan 8.370 nan 0.000 0.447 194 E N 0.356 120.520 120.200 -0.061 0.000 2.153 194 E HA -0.142 4.210 4.350 0.003 0.000 0.194 194 E C 2.104 178.667 176.600 -0.061 0.000 0.988 194 E CA 0.779 57.173 56.400 -0.011 0.000 0.811 194 E CB 0.075 29.833 29.700 0.097 0.000 0.746 194 E HN 0.043 nan 8.360 nan 0.000 0.466 195 V N 1.374 121.199 119.914 -0.148 0.000 2.261 195 V HA -0.257 3.865 4.120 0.003 0.000 0.246 195 V C 2.476 178.445 176.094 -0.207 0.000 1.047 195 V CA 1.752 63.907 62.300 -0.241 0.000 1.015 195 V CB -0.471 31.149 31.823 -0.339 0.000 0.642 195 V HN 0.425 nan 8.190 nan 0.000 0.446 196 L N -0.260 120.880 121.223 -0.139 0.000 2.046 196 L HA -0.179 4.163 4.340 0.003 0.000 0.208 196 L C 2.605 179.440 176.870 -0.059 0.000 1.077 196 L CA 1.811 56.601 54.840 -0.084 0.000 0.747 196 L CB -0.573 41.458 42.059 -0.048 0.000 0.896 196 L HN 0.397 nan 8.230 nan 0.000 0.432 197 A N -0.152 122.639 122.820 -0.048 0.000 1.883 197 A HA -0.256 4.066 4.320 0.003 0.000 0.217 197 A C 2.439 180.008 177.584 -0.026 0.000 1.186 197 A CA 1.918 53.939 52.037 -0.025 0.000 0.624 197 A CB -0.889 18.105 19.000 -0.011 0.000 0.822 197 A HN 0.548 nan 8.150 nan 0.000 0.444 198 A N -1.074 121.721 122.820 -0.042 0.000 1.940 198 A HA -0.144 4.178 4.320 0.003 0.000 0.219 198 A C 2.225 179.781 177.584 -0.046 0.000 1.176 198 A CA 2.013 54.026 52.037 -0.040 0.000 0.631 198 A CB -0.473 18.489 19.000 -0.062 0.000 0.814 198 A HN 0.465 nan 8.150 nan 0.000 0.446 199 M N -0.951 118.608 119.600 -0.068 0.000 2.064 199 M HA -0.090 4.392 4.480 0.003 0.000 0.260 199 M C 2.273 178.565 176.300 -0.013 0.000 1.073 199 M CA 1.611 56.886 55.300 -0.042 0.000 1.124 199 M CB -1.145 31.430 32.600 -0.042 0.000 1.326 199 M HN 0.386 nan 8.290 nan 0.000 0.410 200 R N 0.417 120.910 120.500 -0.013 0.000 2.117 200 R HA -0.136 4.206 4.340 0.003 0.000 0.243 200 R C 2.201 178.500 176.300 -0.001 0.000 1.143 200 R CA 1.946 58.044 56.100 -0.003 0.000 0.968 200 R CB -0.530 29.767 30.300 -0.004 0.000 0.863 200 R HN 0.518 nan 8.270 nan 0.000 0.444 201 S N -0.407 115.291 115.700 -0.003 0.000 2.603 201 S HA 0.218 4.690 4.470 0.003 0.000 0.220 201 S C 0.676 175.278 174.600 0.004 0.000 0.967 201 S CA -0.089 58.113 58.200 0.002 0.000 0.920 201 S CB 0.243 63.445 63.200 0.004 0.000 0.773 201 S HN 0.280 nan 8.310 nan 0.000 0.529 202 A N 0.967 123.788 122.820 0.002 0.000 2.304 202 A HA 0.608 4.930 4.320 0.003 0.000 0.271 202 A C 1.234 178.822 177.584 0.007 0.000 1.091 202 A CA -0.201 51.839 52.037 0.005 0.000 0.812 202 A CB 0.344 19.346 19.000 0.004 0.000 1.056 202 A HN 0.324 nan 8.150 nan 0.000 0.489 203 T N 0.464 115.023 114.554 0.007 0.000 2.739 203 T HA 0.014 4.365 4.350 0.003 0.000 0.249 203 T C 1.205 175.909 174.700 0.008 0.000 1.050 203 T CA 1.709 63.814 62.100 0.007 0.000 1.165 203 T CB -0.146 68.726 68.868 0.007 0.000 0.872 203 T HN 0.688 nan 8.240 nan 0.000 0.411 204 S N 3.753 119.457 115.700 0.007 0.000 2.217 204 S HA 0.305 4.777 4.470 0.003 0.000 0.168 204 S C -2.798 171.808 174.600 0.010 0.000 1.526 204 S CA -1.837 56.367 58.200 0.007 0.000 1.150 204 S CB 0.082 63.285 63.200 0.004 0.000 1.158 204 S HN 0.106 nan 8.310 nan 0.000 0.473 205 P HA 0.158 nan 4.420 nan 0.000 0.271 205 P C -0.742 176.578 177.300 0.033 0.000 1.226 205 P CA -0.174 62.942 63.100 0.028 0.000 0.765 205 P CB 1.149 32.869 31.700 0.033 0.000 0.835 206 V N 5.707 125.643 119.914 0.036 0.000 2.376 206 V HA 0.168 4.290 4.120 0.003 0.000 0.287 206 V C 0.221 176.345 176.094 0.051 0.000 1.015 206 V CA -0.823 61.492 62.300 0.025 0.000 0.834 206 V CB 1.454 33.270 31.823 -0.012 0.000 1.001 206 V HN 0.418 nan 8.190 nan 0.000 0.428 207 L N 6.876 128.128 121.223 0.048 0.000 2.265 207 L HA 0.594 4.936 4.340 0.003 0.000 0.288 207 L C -0.231 176.617 176.870 -0.036 0.000 1.058 207 L CA 0.357 55.213 54.840 0.027 0.000 0.809 207 L CB 0.895 42.963 42.059 0.015 0.000 1.179 207 L HN 0.597 nan 8.230 nan 0.000 0.429 208 M N 5.097 124.660 119.600 -0.062 0.000 2.300 208 M HA 0.454 4.936 4.480 0.003 0.000 0.348 208 M C -0.882 175.362 176.300 -0.092 0.000 1.151 208 M CA -0.828 54.439 55.300 -0.056 0.000 1.046 208 M CB 1.967 34.548 32.600 -0.032 0.000 1.647 208 M HN 0.332 nan 8.290 nan 0.000 0.451 209 V N 2.395 122.275 119.914 -0.057 0.000 2.398 209 V HA 0.421 4.543 4.120 0.003 0.000 0.286 209 V C -0.321 175.757 176.094 -0.026 0.000 1.026 209 V CA -0.510 61.752 62.300 -0.064 0.000 0.868 209 V CB 1.530 33.320 31.823 -0.056 0.000 0.982 209 V HN 1.073 nan 8.190 nan 0.000 0.443 210 C N 3.462 122.744 119.300 -0.029 0.000 3.277 210 C HA 0.545 5.007 4.460 0.003 0.000 0.367 210 C C 1.892 176.869 174.990 -0.021 0.000 1.949 210 C CA 0.477 59.495 59.018 -0.001 0.000 1.428 210 C CB 1.706 29.456 27.740 0.018 0.000 2.409 210 C HN 0.744 nan 8.230 nan 0.000 0.460 211 V N 1.770 121.679 119.914 -0.009 0.000 2.250 211 V HA -0.227 3.895 4.120 0.003 0.000 0.253 211 V C 2.137 178.189 176.094 -0.070 0.000 1.065 211 V CA 3.013 65.290 62.300 -0.038 0.000 1.039 211 V CB -0.729 31.095 31.823 0.000 0.000 0.647 211 V HN 0.928 nan 8.190 nan 0.000 0.446 212 E N -0.672 119.520 120.200 -0.014 0.000 2.219 212 E HA -0.191 4.161 4.350 0.003 0.000 0.198 212 E C 2.138 178.704 176.600 -0.056 0.000 0.998 212 E CA 1.616 57.987 56.400 -0.048 0.000 0.818 212 E CB -0.219 29.630 29.700 0.249 0.000 0.741 212 E HN 0.665 nan 8.360 nan 0.000 0.477 213 V N 0.865 120.771 119.914 -0.013 0.000 2.343 213 V HA -0.242 3.880 4.120 0.003 0.000 0.247 213 V C 2.373 178.439 176.094 -0.046 0.000 1.051 213 V CA 1.758 64.055 62.300 -0.007 0.000 1.036 213 V CB -0.472 31.332 31.823 -0.031 0.000 0.654 213 V HN 0.183 nan 8.190 nan 0.000 0.451 214 R N -0.498 119.948 120.500 -0.090 0.000 2.153 214 R HA -0.041 4.301 4.340 0.003 0.000 0.218 214 R C 2.528 178.744 176.300 -0.140 0.000 1.072 214 R CA 0.520 56.557 56.100 -0.104 0.000 0.990 214 R CB 0.030 30.262 30.300 -0.112 0.000 0.889 214 R HN 0.373 nan 8.270 nan 0.000 0.452 215 R N -0.388 119.965 120.500 -0.245 0.000 2.073 215 R HA -0.091 4.251 4.340 0.003 0.000 0.229 215 R C 1.196 177.300 176.300 -0.327 0.000 1.120 215 R CA 1.236 57.116 56.100 -0.367 0.000 0.967 215 R CB -0.543 29.375 30.300 -0.638 0.000 0.862 215 R HN 0.289 nan 8.270 nan 0.000 0.436 216 Y N 0.369 120.648 120.300 -0.034 0.000 2.495 216 Y HA 0.295 4.846 4.550 0.002 0.000 0.293 216 Y C 1.277 177.153 175.900 -0.039 0.000 1.186 216 Y CA -0.346 57.728 58.100 -0.043 0.000 1.266 216 Y CB -0.570 37.861 38.460 -0.049 0.000 1.101 216 Y HN 0.260 nan 8.280 nan 0.000 0.517 217 G N 0.966 109.790 108.800 0.040 0.000 2.361 217 G HA2 -0.315 3.647 3.960 0.003 0.000 0.294 217 G HA3 -0.315 3.647 3.960 0.003 0.000 0.294 217 G C 0.839 175.753 174.900 0.024 0.000 1.004 217 G CA 0.840 45.948 45.100 0.013 0.000 0.870 217 G HN 0.562 nan 8.290 nan 0.000 0.510 218 L N -0.754 120.495 121.223 0.044 0.000 2.554 218 L HA 0.118 4.459 4.340 0.003 0.000 0.226 218 L C 2.358 179.230 176.870 0.003 0.000 1.137 218 L CA 0.908 55.767 54.840 0.032 0.000 0.863 218 L CB -0.237 41.856 42.059 0.057 0.000 0.985 218 L HN 0.506 nan 8.230 nan 0.000 0.451 219 E N 1.489 121.683 120.200 -0.011 0.000 2.169 219 E HA -0.323 4.029 4.350 0.003 0.000 0.202 219 E C 2.204 178.793 176.600 -0.019 0.000 1.016 219 E CA 1.561 57.947 56.400 -0.023 0.000 0.817 219 E CB 0.093 29.773 29.700 -0.034 0.000 0.736 219 E HN 0.530 nan 8.360 nan 0.000 0.462 220 A N 1.182 123.994 122.820 -0.014 0.000 1.892 220 A HA -0.225 4.096 4.320 0.003 0.000 0.218 220 A C 2.077 179.656 177.584 -0.009 0.000 1.188 220 A CA 1.846 53.877 52.037 -0.011 0.000 0.631 220 A CB -0.320 18.675 19.000 -0.008 0.000 0.822 220 A HN 0.090 nan 8.150 nan 0.000 0.447 221 K N -0.596 119.800 120.400 -0.007 0.000 2.262 221 K HA 0.099 4.420 4.320 0.003 0.000 0.200 221 K C 1.864 178.459 176.600 -0.009 0.000 1.049 221 K CA 0.972 57.256 56.287 -0.006 0.000 0.979 221 K CB -0.383 32.115 32.500 -0.003 0.000 0.773 221 K HN 0.377 nan 8.250 nan 0.000 0.474 222 V N 1.577 121.482 119.914 -0.015 0.000 2.626 222 V HA -0.156 3.966 4.120 0.003 0.000 0.252 222 V C 2.378 178.457 176.094 -0.024 0.000 1.067 222 V CA 1.726 64.010 62.300 -0.027 0.000 1.081 222 V CB -0.722 31.075 31.823 -0.044 0.000 0.686 222 V HN 0.208 nan 8.190 nan 0.000 0.468 223 A N 0.174 122.982 122.820 -0.019 0.000 1.929 223 A HA -0.174 4.148 4.320 0.003 0.000 0.216 223 A C 2.180 179.759 177.584 -0.009 0.000 1.176 223 A CA 1.621 53.649 52.037 -0.015 0.000 0.628 223 A CB -0.385 18.607 19.000 -0.015 0.000 0.816 223 A HN 0.482 nan 8.150 nan 0.000 0.444 224 E N -0.586 119.611 120.200 -0.006 0.000 2.338 224 E HA -0.078 4.273 4.350 0.003 0.000 0.197 224 E C 1.560 178.162 176.600 0.003 0.000 1.007 224 E CA 0.771 57.170 56.400 -0.002 0.000 0.849 224 E CB -0.191 29.509 29.700 -0.001 0.000 0.774 224 E HN 0.500 nan 8.360 nan 0.000 0.506 225 L N -0.532 120.692 121.223 0.002 0.000 2.189 225 L HA 0.338 4.680 4.340 0.003 0.000 0.199 225 L C 2.100 178.977 176.870 0.012 0.000 1.074 225 L CA 1.564 56.411 54.840 0.012 0.000 0.783 225 L CB -0.950 41.116 42.059 0.012 0.000 0.955 225 L HN 0.047 nan 8.230 nan 0.000 0.460 226 A N -0.628 122.192 122.820 -0.001 0.000 2.042 226 A HA -0.325 3.996 4.320 0.003 0.000 0.222 226 A C 2.272 179.860 177.584 0.007 0.000 1.167 226 A CA 2.304 54.340 52.037 -0.001 0.000 0.649 226 A CB -0.731 18.261 19.000 -0.013 0.000 0.809 226 A HN 0.720 nan 8.150 nan 0.000 0.457 227 Q N -0.961 118.842 119.800 0.006 0.000 2.036 227 Q HA -0.024 4.318 4.340 0.003 0.000 0.195 227 Q C 2.204 178.211 176.000 0.011 0.000 0.971 227 Q CA 0.689 56.496 55.803 0.006 0.000 0.826 227 Q CB -0.072 28.668 28.738 0.003 0.000 0.896 227 Q HN 0.626 nan 8.270 nan 0.000 0.449 228 R N 0.205 120.713 120.500 0.013 0.000 2.285 228 R HA -0.097 4.244 4.340 0.003 0.000 0.213 228 R C 2.046 178.360 176.300 0.022 0.000 1.068 228 R CA 0.278 56.387 56.100 0.016 0.000 1.004 228 R CB 0.025 30.334 30.300 0.015 0.000 0.873 228 R HN 0.238 nan 8.270 nan 0.000 0.467 229 L N -0.815 120.426 121.223 0.029 0.000 2.071 229 L HA 0.135 4.477 4.340 0.003 0.000 0.201 229 L C 1.377 178.266 176.870 0.032 0.000 1.076 229 L CA 2.327 57.192 54.840 0.041 0.000 0.755 229 L CB -0.294 41.803 42.059 0.063 0.000 0.915 229 L HN 0.348 nan 8.230 nan 0.000 0.445 230 G N -1.093 107.722 108.800 0.026 0.000 2.159 230 G HA2 -0.184 3.777 3.960 0.003 0.000 0.227 230 G HA3 -0.184 3.777 3.960 0.003 0.000 0.227 230 G C 0.280 175.193 174.900 0.021 0.000 0.986 230 G CA 0.360 45.472 45.100 0.019 0.000 0.651 230 G HN 0.818 nan 8.290 nan 0.000 0.523 231 V N -2.316 117.615 119.914 0.029 0.000 2.966 231 V HA 0.912 5.034 4.120 0.003 0.000 0.317 231 V C -1.941 174.166 176.094 0.022 0.000 1.070 231 V CA -2.586 59.731 62.300 0.029 0.000 1.008 231 V CB 1.329 33.180 31.823 0.047 0.000 1.070 231 V HN 0.025 nan 8.190 nan 0.000 0.457 232 P HA 0.318 nan 4.420 nan 0.000 0.268 232 P C -0.895 176.410 177.300 0.008 0.000 1.205 232 P CA 0.066 63.172 63.100 0.010 0.000 0.771 232 P CB 0.741 32.446 31.700 0.008 0.000 0.858 233 V N 4.317 124.233 119.914 0.003 0.000 2.495 233 V HA 0.443 4.565 4.120 0.003 0.000 0.298 233 V C 0.169 176.264 176.094 0.001 0.000 1.031 233 V CA -0.454 61.844 62.300 -0.003 0.000 0.871 233 V CB 2.017 33.835 31.823 -0.009 0.000 0.988 233 V HN 0.245 nan 8.190 nan 0.000 0.432 234 V N 3.160 123.074 119.914 0.001 0.000 3.040 234 V HA 0.740 4.862 4.120 0.003 0.000 0.312 234 V C 0.058 176.168 176.094 0.026 0.000 1.115 234 V CA -0.537 61.776 62.300 0.022 0.000 0.998 234 V CB 2.769 34.606 31.823 0.022 0.000 1.042 234 V HN 0.990 nan 8.190 nan 0.000 0.433 235 T N -1.159 113.428 114.554 0.056 0.000 2.932 235 T HA 0.718 5.070 4.350 0.003 0.000 0.289 235 T C 0.063 174.841 174.700 0.131 0.000 1.039 235 T CA -0.111 62.022 62.100 0.054 0.000 1.024 235 T CB 1.823 70.703 68.868 0.019 0.000 1.090 235 T HN 0.922 nan 8.240 nan 0.000 0.496 236 T N -0.479 114.161 114.554 0.144 0.000 2.891 236 T HA 0.428 4.780 4.350 0.003 0.000 0.294 236 T C 0.802 175.649 174.700 0.245 0.000 1.065 236 T CA -0.697 61.568 62.100 0.275 0.000 0.936 236 T CB 0.136 69.183 68.868 0.299 0.000 1.415 236 T HN 0.438 nan 8.240 nan 0.000 0.572 237 F N 0.786 120.829 119.950 0.154 0.000 2.053 237 F HA 0.084 4.613 4.527 0.003 0.000 0.292 237 F C 2.536 178.229 175.800 -0.179 0.000 1.125 237 F CA 1.394 59.345 58.000 -0.082 0.000 1.193 237 F CB -0.595 38.306 39.000 -0.164 0.000 0.996 237 F HN 0.261 nan 8.300 nan 0.000 0.470 238 M N 0.155 119.653 119.600 -0.170 0.000 2.260 238 M HA -0.163 4.319 4.480 0.003 0.000 0.261 238 M C 2.263 178.454 176.300 -0.183 0.000 1.066 238 M CA 1.524 56.673 55.300 -0.251 0.000 1.082 238 M CB -2.179 30.352 32.600 -0.115 0.000 1.388 238 M HN 0.357 nan 8.290 nan 0.000 0.419 239 G N -0.658 108.089 108.800 -0.089 0.000 2.683 239 G HA2 -0.060 3.902 3.960 0.003 0.000 0.213 239 G HA3 -0.060 3.902 3.960 0.003 0.000 0.213 239 G C 0.883 175.716 174.900 -0.113 0.000 1.142 239 G CA -0.388 44.665 45.100 -0.077 0.000 0.793 239 G HN 0.399 nan 8.290 nan 0.000 0.534 240 R N 0.235 120.629 120.500 -0.176 0.000 2.500 240 R HA 0.235 4.577 4.340 0.003 0.000 0.281 240 R C 1.540 177.742 176.300 -0.162 0.000 0.953 240 R CA 1.390 57.379 56.100 -0.185 0.000 1.108 240 R CB -0.129 29.960 30.300 -0.352 0.000 0.901 240 R HN 0.375 nan 8.270 nan 0.000 0.410 241 G N 3.468 112.209 108.800 -0.099 0.000 2.659 241 G HA2 -0.294 3.668 3.960 0.003 0.000 0.212 241 G HA3 -0.294 3.668 3.960 0.003 0.000 0.212 241 G C 0.181 175.043 174.900 -0.064 0.000 1.226 241 G CA -0.050 44.999 45.100 -0.085 0.000 0.739 241 G HN 0.559 nan 8.290 nan 0.000 0.528 242 L N 1.214 122.393 121.223 -0.072 0.000 2.581 242 L HA 0.188 4.530 4.340 0.003 0.000 0.299 242 L C 1.568 178.414 176.870 -0.040 0.000 1.261 242 L CA 0.488 55.292 54.840 -0.059 0.000 0.866 242 L CB 0.210 42.232 42.059 -0.061 0.000 1.113 242 L HN 0.582 nan 8.230 nan 0.000 0.514 243 L N 1.756 122.958 121.223 -0.036 0.000 4.001 243 L HA -0.316 4.026 4.340 0.003 0.000 0.413 243 L C 1.440 178.300 176.870 -0.017 0.000 1.185 243 L CA 1.357 56.182 54.840 -0.025 0.000 0.963 243 L CB -1.933 40.112 42.059 -0.024 0.000 1.976 243 L HN 0.844 nan 8.230 nan 0.000 0.939 244 A N -1.095 121.714 122.820 -0.018 0.000 1.873 244 A HA -0.099 4.222 4.320 0.003 0.000 0.215 244 A C 1.385 178.967 177.584 -0.003 0.000 1.186 244 A CA 1.790 53.824 52.037 -0.006 0.000 0.616 244 A CB -0.164 18.830 19.000 -0.009 0.000 0.823 244 A HN 0.527 nan 8.150 nan 0.000 0.442 245 D N 0.133 120.527 120.400 -0.010 0.000 2.722 245 D HA 0.475 5.117 4.640 0.003 0.000 0.239 245 D C 0.031 176.326 176.300 -0.008 0.000 1.249 245 D CA 0.446 54.441 54.000 -0.007 0.000 0.830 245 D CB 0.163 40.957 40.800 -0.010 0.000 1.025 245 D HN 0.392 nan 8.370 nan 0.000 0.486 246 A N 0.820 123.635 122.820 -0.008 0.000 2.311 246 A HA 0.552 4.874 4.320 0.003 0.000 0.334 246 A C -1.608 175.973 177.584 -0.005 0.000 1.139 246 A CA -1.395 50.637 52.037 -0.008 0.000 0.830 246 A CB 1.322 20.315 19.000 -0.012 0.000 1.234 246 A HN -0.142 nan 8.150 nan 0.000 0.483 247 P HA -0.137 nan 4.420 nan 0.000 0.216 247 P C 0.738 178.037 177.300 -0.002 0.000 1.157 247 P CA 2.338 65.436 63.100 -0.003 0.000 0.880 247 P CB 0.066 31.765 31.700 -0.002 0.000 0.791 248 T N -4.739 109.813 114.554 -0.003 0.000 3.390 248 T HA 0.346 4.698 4.350 0.003 0.000 0.315 248 T C -2.649 172.049 174.700 -0.003 0.000 1.799 248 T CA -2.386 59.712 62.100 -0.002 0.000 1.553 248 T CB -0.030 68.838 68.868 -0.000 0.000 1.002 248 T HN -0.017 nan 8.240 nan 0.000 0.715 249 P HA 0.176 nan 4.420 nan 0.000 0.267 249 P C -2.536 174.764 177.300 0.001 0.000 1.201 249 P CA -0.907 62.192 63.100 -0.001 0.000 0.775 249 P CB -0.297 31.405 31.700 0.003 0.000 0.854 250 P HA 0.048 nan 4.420 nan 0.000 0.269 250 P C 0.706 178.011 177.300 0.010 0.000 1.211 250 P CA 0.396 63.500 63.100 0.007 0.000 0.781 250 P CB 0.206 31.913 31.700 0.012 0.000 0.877 251 L N 0.183 121.412 121.223 0.009 0.000 2.607 251 L HA 0.410 4.751 4.340 0.003 0.000 0.228 251 L C 1.140 178.011 176.870 0.002 0.000 1.123 251 L CA 0.127 54.966 54.840 -0.001 0.000 0.890 251 L CB -0.563 41.495 42.059 -0.001 0.000 1.103 251 L HN 0.602 nan 8.230 nan 0.000 0.468 252 G N -0.734 108.083 108.800 0.028 0.000 2.341 252 G HA2 0.183 4.144 3.960 0.003 0.000 0.293 252 G HA3 0.183 4.144 3.960 0.003 0.000 0.293 252 G C -1.265 173.686 174.900 0.084 0.000 1.298 252 G CA -0.657 44.473 45.100 0.051 0.000 0.868 252 G HN -0.209 nan 8.290 nan 0.000 0.540 253 T N -0.083 114.538 114.554 0.113 0.000 2.885 253 T HA 0.574 4.926 4.350 0.003 0.000 0.285 253 T C -1.454 173.368 174.700 0.204 0.000 1.019 253 T CA -0.204 61.978 62.100 0.136 0.000 1.010 253 T CB 1.760 70.687 68.868 0.099 0.000 1.022 253 T HN 0.632 nan 8.240 nan 0.000 0.466 254 Y N 3.868 124.230 120.300 0.103 0.000 2.342 254 Y HA 0.543 5.095 4.550 0.003 0.000 0.338 254 Y C 0.442 176.451 175.900 0.183 0.000 0.965 254 Y CA -1.302 56.872 58.100 0.124 0.000 1.159 254 Y CB 0.388 38.911 38.460 0.104 0.000 1.157 254 Y HN 0.635 nan 8.280 nan 0.000 0.486 255 I N 3.221 123.609 120.570 -0.303 0.000 3.994 255 I HA 0.654 4.826 4.170 0.003 0.000 0.323 255 I C 0.714 176.683 176.117 -0.245 0.000 1.501 255 I CA 0.147 61.352 61.300 -0.158 0.000 1.112 255 I CB 0.166 38.110 38.000 -0.093 0.000 1.254 255 I HN 0.819 nan 8.210 nan 0.000 0.495 256 G N 1.960 110.248 108.800 -0.853 0.000 2.512 256 G HA2 -0.352 3.610 3.960 0.003 0.000 0.254 256 G HA3 -0.352 3.610 3.960 0.003 0.000 0.254 256 G C 0.541 175.404 174.900 -0.061 0.000 1.199 256 G CA 0.706 45.522 45.100 -0.474 0.000 0.941 256 G HN 0.578 nan 8.290 nan 0.000 0.569 257 V N 1.066 121.017 119.914 0.062 0.000 2.222 257 V HA -0.086 4.036 4.120 0.003 0.000 0.252 257 V C 3.272 179.455 176.094 0.149 0.000 1.060 257 V CA 4.289 66.649 62.300 0.100 0.000 1.027 257 V CB -1.221 30.639 31.823 0.062 0.000 0.644 257 V HN 2.434 nan 8.190 nan 0.000 0.448 258 A N -0.205 122.784 122.820 0.282 0.000 2.259 258 A HA 0.285 4.607 4.320 0.003 0.000 0.212 258 A C 1.253 178.946 177.584 0.182 0.000 1.178 258 A CA 1.075 53.289 52.037 0.295 0.000 0.734 258 A CB -1.343 17.950 19.000 0.488 0.000 0.774 258 A HN 0.917 nan 8.150 nan 0.000 0.481 259 G N -1.036 107.838 108.800 0.124 0.000 2.557 259 G HA2 0.396 4.358 3.960 0.003 0.000 0.302 259 G HA3 0.396 4.358 3.960 0.003 0.000 0.302 259 G C -0.858 174.097 174.900 0.092 0.000 1.311 259 G CA -0.272 44.882 45.100 0.091 0.000 1.030 259 G HN 0.177 nan 8.290 nan 0.000 0.509 260 D N -0.080 120.372 120.400 0.088 0.000 2.356 260 D HA 0.297 4.938 4.640 0.003 0.000 0.272 260 D C 1.570 177.920 176.300 0.085 0.000 1.337 260 D CA 0.545 54.589 54.000 0.073 0.000 0.970 260 D CB 0.689 41.522 40.800 0.055 0.000 1.092 260 D HN 0.417 nan 8.370 nan 0.000 0.516 261 A N 3.890 126.754 122.820 0.074 0.000 2.148 261 A HA -0.254 4.067 4.320 0.003 0.000 0.222 261 A C 1.945 179.572 177.584 0.071 0.000 1.161 261 A CA 1.854 53.937 52.037 0.076 0.000 0.662 261 A CB -0.475 18.559 19.000 0.057 0.000 0.799 261 A HN 0.703 nan 8.150 nan 0.000 0.466 262 E N -0.060 120.175 120.200 0.057 0.000 2.047 262 E HA -0.133 4.219 4.350 0.003 0.000 0.191 262 E C 1.808 178.443 176.600 0.059 0.000 0.987 262 E CA 1.333 57.759 56.400 0.044 0.000 0.799 262 E CB -0.152 29.562 29.700 0.023 0.000 0.752 262 E HN 0.499 nan 8.360 nan 0.000 0.449 263 I N 1.026 121.646 120.570 0.082 0.000 2.202 263 I HA -0.219 3.952 4.170 0.003 0.000 0.242 263 I C 2.133 178.341 176.117 0.151 0.000 1.091 263 I CA 1.437 62.804 61.300 0.110 0.000 1.368 263 I CB -1.675 36.416 38.000 0.153 0.000 1.058 263 I HN 0.229 nan 8.210 nan 0.000 0.410 264 T N 1.404 116.092 114.554 0.222 0.000 2.493 264 T HA -0.353 3.999 4.350 0.003 0.000 0.256 264 T C 2.328 177.113 174.700 0.140 0.000 1.195 264 T CA 3.277 65.553 62.100 0.293 0.000 1.183 264 T CB -0.986 68.020 68.868 0.232 0.000 0.863 264 T HN 0.503 nan 8.240 nan 0.000 0.418 265 R N 0.801 121.357 120.500 0.093 0.000 2.133 265 R HA -0.127 4.215 4.340 0.003 0.000 0.245 265 R C 2.416 178.726 176.300 0.016 0.000 1.137 265 R CA 2.310 58.439 56.100 0.049 0.000 0.947 265 R CB -1.792 28.532 30.300 0.040 0.000 0.865 265 R HN 0.447 nan 8.270 nan 0.000 0.437 266 L N 0.347 121.579 121.223 0.015 0.000 2.064 266 L HA -0.188 4.153 4.340 0.003 0.000 0.216 266 L C 2.471 179.314 176.870 -0.044 0.000 1.077 266 L CA 2.331 57.167 54.840 -0.007 0.000 0.766 266 L CB -0.353 41.706 42.059 0.001 0.000 0.890 266 L HN 0.298 nan 8.230 nan 0.000 0.435 267 V N -0.697 119.160 119.914 -0.095 0.000 2.256 267 V HA -0.193 3.929 4.120 0.003 0.000 0.240 267 V C 2.273 178.270 176.094 -0.161 0.000 1.036 267 V CA 1.762 63.939 62.300 -0.205 0.000 1.008 267 V CB -0.636 30.871 31.823 -0.526 0.000 0.648 267 V HN 0.429 nan 8.190 nan 0.000 0.453 268 E N 0.025 120.148 120.200 -0.128 0.000 2.455 268 E HA -0.171 4.181 4.350 0.003 0.000 0.202 268 E C 0.708 177.293 176.600 -0.026 0.000 1.045 268 E CA 0.722 57.090 56.400 -0.053 0.000 0.872 268 E CB -0.020 29.694 29.700 0.023 0.000 0.792 268 E HN 0.643 nan 8.360 nan 0.000 0.542 269 E N 0.396 120.581 120.200 -0.026 0.000 3.646 269 E HA 0.152 4.504 4.350 0.003 0.000 0.211 269 E C -0.933 175.659 176.600 -0.013 0.000 1.034 269 E CA -0.218 56.176 56.400 -0.011 0.000 1.341 269 E CB 1.229 30.930 29.700 0.001 0.000 1.202 269 E HN -0.105 nan 8.360 nan 0.000 0.447 270 S N 0.744 116.431 115.700 -0.022 0.000 2.718 270 S HA 0.253 4.725 4.470 0.003 0.000 0.300 270 S C -0.131 174.464 174.600 -0.008 0.000 1.117 270 S CA -0.617 57.574 58.200 -0.015 0.000 1.002 270 S CB 0.845 64.032 63.200 -0.021 0.000 1.092 270 S HN 0.355 nan 8.310 nan 0.000 0.542 271 D N 0.064 120.463 120.400 -0.001 0.000 2.582 271 D HA 0.216 4.857 4.640 0.003 0.000 0.246 271 D C 0.439 176.740 176.300 0.002 0.000 1.334 271 D CA -0.145 53.856 54.000 0.002 0.000 0.805 271 D CB 0.167 40.971 40.800 0.007 0.000 1.087 271 D HN 0.582 nan 8.370 nan 0.000 0.499 272 G N 1.295 110.098 108.800 0.005 0.000 5.482 272 G HA2 0.216 4.178 3.960 0.003 0.000 0.208 272 G HA3 0.216 4.178 3.960 0.003 0.000 0.208 272 G C -0.440 174.484 174.900 0.041 0.000 0.756 272 G CA -0.477 44.628 45.100 0.009 0.000 0.682 272 G HN 0.131 nan 8.290 nan 0.000 0.405 273 L N 1.700 122.943 121.223 0.034 0.000 2.536 273 L HA 0.475 4.816 4.340 0.003 0.000 0.282 273 L C -0.538 176.420 176.870 0.147 0.000 1.174 273 L CA -1.100 53.772 54.840 0.054 0.000 0.989 273 L CB -0.600 41.458 42.059 -0.001 0.000 1.311 273 L HN 0.105 nan 8.230 nan 0.000 0.455 274 F N 6.262 126.204 119.950 -0.013 0.000 2.566 274 F HA 0.257 4.786 4.527 0.003 0.000 0.349 274 F C -0.153 175.655 175.800 0.014 0.000 1.245 274 F CA -1.210 56.792 58.000 0.003 0.000 1.169 274 F CB -0.166 38.835 39.000 0.001 0.000 1.470 274 F HN 0.287 nan 8.300 nan 0.000 0.634 275 L N 6.791 128.203 121.223 0.314 0.000 2.462 275 L HA 0.037 4.378 4.340 0.003 0.000 0.283 275 L C -0.068 176.835 176.870 0.056 0.000 1.166 275 L CA -0.489 54.430 54.840 0.131 0.000 0.964 275 L CB -0.120 42.042 42.059 0.173 0.000 1.294 275 L HN 0.302 nan 8.230 nan 0.000 0.449 276 L N 3.637 124.728 121.223 -0.220 0.000 2.361 276 L HA 0.271 4.613 4.340 0.003 0.000 0.278 276 L C 1.334 178.159 176.870 -0.075 0.000 1.113 276 L CA 0.581 55.249 54.840 -0.287 0.000 0.849 276 L CB 0.710 42.477 42.059 -0.486 0.000 1.155 276 L HN 0.733 nan 8.230 nan 0.000 0.452 277 G N 3.800 112.617 108.800 0.027 0.000 2.337 277 G HA2 -0.254 3.708 3.960 0.003 0.000 0.290 277 G HA3 -0.254 3.708 3.960 0.003 0.000 0.290 277 G C 0.510 175.411 174.900 0.003 0.000 1.003 277 G CA 0.545 45.720 45.100 0.126 0.000 0.825 277 G HN 1.110 nan 8.290 nan 0.000 0.509 278 A N -0.877 121.904 122.820 -0.064 0.000 2.322 278 A HA 0.777 5.099 4.320 0.003 0.000 0.269 278 A C 0.596 177.870 177.584 -0.517 0.000 1.094 278 A CA -0.471 51.468 52.037 -0.162 0.000 0.807 278 A CB 0.698 19.680 19.000 -0.029 0.000 1.047 278 A HN 0.584 nan 8.150 nan 0.000 0.487 279 I N 0.516 120.810 120.570 -0.460 0.000 2.577 279 I HA 0.345 4.517 4.170 0.003 0.000 0.300 279 I C -0.556 175.344 176.117 -0.361 0.000 0.990 279 I CA -0.263 60.703 61.300 -0.557 0.000 1.283 279 I CB 1.292 39.121 38.000 -0.285 0.000 1.411 279 I HN 0.442 nan 8.210 nan 0.000 0.515 280 L N 4.989 126.042 121.223 -0.284 0.000 2.376 280 L HA 0.544 4.886 4.340 0.003 0.000 0.275 280 L C -0.541 176.231 176.870 -0.163 0.000 0.987 280 L CA 0.027 54.723 54.840 -0.239 0.000 0.828 280 L CB 1.714 43.600 42.059 -0.289 0.000 1.249 280 L HN 0.855 nan 8.230 nan 0.000 0.409 281 S N 0.298 115.893 115.700 -0.175 0.000 2.663 281 S HA 0.275 4.747 4.470 0.003 0.000 0.264 281 S C -1.558 172.969 174.600 -0.122 0.000 1.112 281 S CA -1.018 57.107 58.200 -0.124 0.000 0.823 281 S CB 1.279 64.414 63.200 -0.108 0.000 1.111 281 S HN 0.486 nan 8.310 nan 0.000 0.476 282 D N 1.573 121.921 120.400 -0.086 0.000 3.071 282 D HA 0.260 4.901 4.640 0.003 0.000 0.259 282 D C -0.487 175.760 176.300 -0.089 0.000 1.331 282 D CA 0.008 53.963 54.000 -0.075 0.000 0.861 282 D CB 0.197 40.965 40.800 -0.053 0.000 1.059 282 D HN 0.533 nan 8.370 nan 0.000 0.486 283 T N 1.079 115.555 114.554 -0.130 0.000 3.281 283 T HA 0.129 4.481 4.350 0.003 0.000 0.359 283 T C 0.773 175.340 174.700 -0.223 0.000 1.459 283 T CA -0.604 61.416 62.100 -0.133 0.000 1.114 283 T CB 0.384 69.207 68.868 -0.075 0.000 1.162 283 T HN 0.086 nan 8.240 nan 0.000 0.665 284 N N 1.543 120.096 118.700 -0.244 0.000 3.348 284 N HA -0.300 4.441 4.740 0.003 0.000 0.192 284 N C 0.579 175.860 175.510 -0.382 0.000 0.298 284 N CA 2.388 55.160 53.050 -0.464 0.000 2.113 284 N CB -1.229 36.520 38.487 -1.229 0.000 1.347 284 N HN 0.518 nan 8.380 nan 0.000 0.389 285 F N 0.657 120.569 119.950 -0.064 0.000 2.530 285 F HA 0.579 5.108 4.527 0.003 0.000 0.292 285 F C 1.743 177.554 175.800 0.018 0.000 1.109 285 F CA 0.128 58.078 58.000 -0.084 0.000 1.450 285 F CB -0.755 38.089 39.000 -0.260 0.000 1.114 285 F HN 0.403 nan 8.300 nan 0.000 0.560 286 A N 1.008 123.841 122.820 0.022 0.000 2.577 286 A HA 0.181 4.503 4.320 0.003 0.000 0.233 286 A C 0.309 177.851 177.584 -0.071 0.000 1.076 286 A CA -0.261 51.517 52.037 -0.432 0.000 0.767 286 A CB -0.137 18.311 19.000 -0.919 0.000 1.017 286 A HN 0.028 nan 8.150 nan 0.000 0.511 287 V N 2.969 122.871 119.914 -0.020 0.000 2.381 287 V HA 0.153 4.275 4.120 0.003 0.000 0.257 287 V C 1.078 177.165 176.094 -0.013 0.000 1.057 287 V CA 0.523 62.890 62.300 0.111 0.000 1.013 287 V CB 0.104 31.950 31.823 0.038 0.000 1.069 287 V HN 0.910 nan 8.190 nan 0.000 0.484 288 S N 4.025 119.743 115.700 0.029 0.000 2.549 288 S HA 0.097 4.569 4.470 0.003 0.000 0.283 288 S C 1.141 175.724 174.600 -0.028 0.000 1.320 288 S CA -0.488 57.701 58.200 -0.019 0.000 1.058 288 S CB 0.994 64.195 63.200 0.003 0.000 0.882 288 S HN 0.770 nan 8.310 nan 0.000 0.498 289 Q N 3.571 123.338 119.800 -0.055 0.000 2.436 289 Q HA 0.070 4.411 4.340 0.003 0.000 0.209 289 Q C 1.857 177.837 176.000 -0.033 0.000 0.965 289 Q CA 1.084 56.850 55.803 -0.061 0.000 0.910 289 Q CB -0.041 28.655 28.738 -0.069 0.000 0.980 289 Q HN 0.632 nan 8.270 nan 0.000 0.491 290 R N 0.218 120.706 120.500 -0.019 0.000 2.236 290 R HA 0.055 4.397 4.340 0.003 0.000 0.208 290 R C 0.757 177.059 176.300 0.002 0.000 1.036 290 R CA 0.621 56.716 56.100 -0.008 0.000 1.001 290 R CB 0.240 30.534 30.300 -0.010 0.000 0.896 290 R HN 0.009 nan 8.270 nan 0.000 0.464 291 K N 0.993 121.400 120.400 0.012 0.000 2.437 291 K HA 0.242 4.564 4.320 0.003 0.000 0.205 291 K C 0.414 177.021 176.600 0.012 0.000 1.026 291 K CA 0.115 56.420 56.287 0.030 0.000 1.153 291 K CB 0.338 32.886 32.500 0.080 0.000 0.863 291 K HN 0.288 nan 8.250 nan 0.000 0.502 292 I N -3.416 117.148 120.570 -0.011 0.000 3.006 292 I HA 0.346 4.518 4.170 0.003 0.000 0.306 292 I C -1.046 175.054 176.117 -0.027 0.000 1.250 292 I CA -1.168 60.115 61.300 -0.029 0.000 0.996 292 I CB 2.187 40.154 38.000 -0.055 0.000 1.261 292 I HN -0.284 nan 8.210 nan 0.000 0.442 293 D N 3.746 124.131 120.400 -0.025 0.000 2.416 293 D HA 0.250 4.892 4.640 0.003 0.000 0.240 293 D C 0.961 177.234 176.300 -0.044 0.000 1.250 293 D CA -0.067 53.924 54.000 -0.015 0.000 0.967 293 D CB 0.411 41.209 40.800 -0.003 0.000 1.059 293 D HN 0.627 nan 8.370 nan 0.000 0.512 294 L N 2.644 123.828 121.223 -0.065 0.000 2.351 294 L HA -0.180 4.162 4.340 0.003 0.000 0.220 294 L C 2.394 179.107 176.870 -0.261 0.000 1.127 294 L CA 0.829 55.566 54.840 -0.172 0.000 0.786 294 L CB -0.283 41.659 42.059 -0.196 0.000 0.914 294 L HN 0.411 nan 8.230 nan 0.000 0.443 295 R N 0.180 120.630 120.500 -0.083 0.000 2.070 295 R HA -0.054 4.288 4.340 0.003 0.000 0.232 295 R C 0.666 176.955 176.300 -0.018 0.000 1.138 295 R CA 0.937 57.050 56.100 0.022 0.000 0.936 295 R CB -0.047 30.336 30.300 0.139 0.000 0.839 295 R HN 0.030 nan 8.270 nan 0.000 0.429 296 K N 1.674 122.067 120.400 -0.012 0.000 2.403 296 K HA 0.198 4.520 4.320 0.003 0.000 0.235 296 K C -1.003 175.577 176.600 -0.033 0.000 1.142 296 K CA 0.189 56.468 56.287 -0.013 0.000 1.114 296 K CB 1.291 33.793 32.500 0.003 0.000 1.777 296 K HN 0.065 nan 8.250 nan 0.000 0.424 297 T N 2.183 116.703 114.554 -0.057 0.000 3.186 297 T HA 0.341 4.693 4.350 0.003 0.000 0.320 297 T C -0.337 174.354 174.700 -0.015 0.000 0.955 297 T CA -0.608 61.471 62.100 -0.034 0.000 1.030 297 T CB 0.757 69.591 68.868 -0.056 0.000 1.013 297 T HN 0.085 nan 8.240 nan 0.000 0.454 298 I N 3.631 124.208 120.570 0.011 0.000 2.396 298 I HA 0.266 4.437 4.170 0.003 0.000 0.289 298 I C 0.347 176.604 176.117 0.233 0.000 1.056 298 I CA -0.362 60.943 61.300 0.009 0.000 1.365 298 I CB 0.185 38.013 38.000 -0.287 0.000 1.407 298 I HN 0.574 nan 8.210 nan 0.000 0.509 299 H N 6.541 125.668 119.070 0.095 0.000 2.697 299 H HA 0.728 5.286 4.556 0.003 0.000 0.270 299 H C -0.663 174.784 175.328 0.199 0.000 1.188 299 H CA -0.849 55.283 56.048 0.139 0.000 1.322 299 H CB 0.653 30.459 29.762 0.074 0.000 1.405 299 H HN 0.663 nan 8.280 nan 0.000 0.502 300 A N 5.005 127.862 122.820 0.060 0.000 2.302 300 A HA 0.546 4.868 4.320 0.003 0.000 0.295 300 A C -1.320 176.250 177.584 -0.023 0.000 1.235 300 A CA -0.277 51.780 52.037 0.033 0.000 0.876 300 A CB -0.538 18.582 19.000 0.200 0.000 1.133 300 A HN 0.586 nan 8.150 nan 0.000 0.533 301 F N 1.833 121.606 119.950 -0.294 0.000 2.680 301 F HA 0.294 4.823 4.527 0.003 0.000 0.315 301 F C -1.032 174.719 175.800 -0.082 0.000 1.099 301 F CA -0.952 56.936 58.000 -0.188 0.000 1.033 301 F CB 1.153 39.981 39.000 -0.286 0.000 1.285 301 F HN 0.746 nan 8.300 nan 0.000 0.457 302 D N 5.215 125.294 120.400 -0.536 0.000 2.705 302 D HA -0.209 4.433 4.640 0.003 0.000 0.240 302 D C 0.109 176.304 176.300 -0.175 0.000 1.137 302 D CA 1.245 54.962 54.000 -0.472 0.000 0.677 302 D CB -0.431 39.997 40.800 -0.620 0.000 1.049 302 D HN 0.879 nan 8.370 nan 0.000 0.427 303 R N -2.243 118.191 120.500 -0.110 0.000 3.158 303 R HA -0.061 4.281 4.340 0.003 0.000 0.244 303 R C 0.061 176.362 176.300 0.002 0.000 0.900 303 R CA 1.233 57.302 56.100 -0.052 0.000 0.618 303 R CB -1.529 28.754 30.300 -0.028 0.000 1.061 303 R HN 0.531 nan 8.270 nan 0.000 0.471 304 A N -0.737 122.085 122.820 0.003 0.000 2.590 304 A HA 0.637 4.959 4.320 0.003 0.000 0.294 304 A C -1.091 176.519 177.584 0.044 0.000 1.046 304 A CA -0.687 51.377 52.037 0.044 0.000 0.684 304 A CB 1.806 20.826 19.000 0.034 0.000 1.279 304 A HN 0.061 nan 8.150 nan 0.000 0.415 305 V N 0.876 120.856 119.914 0.109 0.000 2.638 305 V HA 0.791 4.913 4.120 0.003 0.000 0.306 305 V C -0.448 175.728 176.094 0.135 0.000 1.052 305 V CA -0.417 61.947 62.300 0.108 0.000 0.885 305 V CB 2.025 33.913 31.823 0.108 0.000 0.999 305 V HN 0.964 nan 8.190 nan 0.000 0.424 306 T N 7.040 121.642 114.554 0.080 0.000 2.890 306 T HA 0.706 5.058 4.350 0.003 0.000 0.295 306 T C -0.950 173.721 174.700 -0.049 0.000 0.993 306 T CA -0.432 61.680 62.100 0.019 0.000 0.979 306 T CB 1.201 70.111 68.868 0.070 0.000 0.967 306 T HN 0.632 nan 8.240 nan 0.000 0.441 307 L N -0.267 120.822 121.223 -0.222 0.000 2.415 307 L HA 0.915 5.257 4.340 0.003 0.000 0.256 307 L C 0.611 177.223 176.870 -0.431 0.000 1.010 307 L CA -0.677 54.025 54.840 -0.231 0.000 0.826 307 L CB 0.527 42.504 42.059 -0.136 0.000 1.405 307 L HN 0.805 nan 8.230 nan 0.000 0.410 308 G N 0.934 109.637 108.800 -0.162 0.000 2.233 308 G HA2 -0.343 3.619 3.960 0.003 0.000 0.270 308 G HA3 -0.343 3.619 3.960 0.003 0.000 0.270 308 G C 0.369 175.478 174.900 0.348 0.000 1.011 308 G CA 1.321 46.511 45.100 0.149 0.000 0.762 308 G HN 1.275 nan 8.290 nan 0.000 0.511 309 Y N -2.666 117.619 120.300 -0.025 0.000 4.929 309 Y HA -0.267 4.285 4.550 0.003 0.000 0.253 309 Y C 1.373 177.308 175.900 0.058 0.000 0.946 309 Y CA 1.775 59.897 58.100 0.038 0.000 1.905 309 Y CB -2.210 36.303 38.460 0.087 0.000 1.400 309 Y HN 1.026 nan 8.280 nan 0.000 0.531 310 H N -1.189 117.953 119.070 0.120 0.000 2.676 310 H HA 0.880 5.438 4.556 0.003 0.000 0.352 310 H C -0.168 175.153 175.328 -0.013 0.000 1.193 310 H CA -0.163 55.901 56.048 0.025 0.000 1.243 310 H CB 1.872 31.613 29.762 -0.036 0.000 1.751 310 H HN 0.012 nan 8.280 nan 0.000 0.567 311 T N 0.847 115.386 114.554 -0.025 0.000 2.900 311 T HA 0.322 4.673 4.350 0.003 0.000 0.295 311 T C -1.075 173.525 174.700 -0.167 0.000 1.044 311 T CA -0.626 61.440 62.100 -0.056 0.000 0.995 311 T CB 1.059 69.937 68.868 0.016 0.000 1.072 311 T HN 0.447 nan 8.240 nan 0.000 0.473 312 Y N 1.496 121.825 120.300 0.048 0.000 2.369 312 Y HA 0.589 5.141 4.550 0.003 0.000 0.337 312 Y C 0.654 176.576 175.900 0.036 0.000 0.961 312 Y CA -0.763 57.366 58.100 0.049 0.000 1.186 312 Y CB 0.811 39.296 38.460 0.041 0.000 1.139 312 Y HN 0.877 nan 8.280 nan 0.000 0.494 313 A N 1.985 124.887 122.820 0.137 0.000 2.287 313 A HA 0.338 4.659 4.320 0.003 0.000 0.273 313 A C 0.206 177.856 177.584 0.111 0.000 1.091 313 A CA -0.485 51.613 52.037 0.101 0.000 0.817 313 A CB 0.049 19.087 19.000 0.064 0.000 1.069 313 A HN 0.862 nan 8.150 nan 0.000 0.492 314 D N -0.511 119.948 120.400 0.099 0.000 2.740 314 D HA -0.137 4.505 4.640 0.003 0.000 0.231 314 D C -0.599 175.754 176.300 0.087 0.000 1.194 314 D CA 0.918 54.983 54.000 0.108 0.000 0.673 314 D CB -0.906 39.957 40.800 0.106 0.000 0.995 314 D HN 0.307 nan 8.370 nan 0.000 0.411 315 I N 1.298 121.908 120.570 0.067 0.000 2.621 315 I HA 0.164 4.336 4.170 0.003 0.000 0.276 315 I C -1.952 174.161 176.117 -0.007 0.000 1.118 315 I CA -2.020 59.303 61.300 0.039 0.000 1.159 315 I CB 0.773 38.809 38.000 0.060 0.000 1.357 315 I HN -0.187 nan 8.210 nan 0.000 0.513 316 P HA -0.043 nan 4.420 nan 0.000 0.264 316 P C 1.133 178.369 177.300 -0.108 0.000 1.193 316 P CA -0.269 62.752 63.100 -0.131 0.000 0.763 316 P CB 1.639 33.244 31.700 -0.159 0.000 0.810 317 L N 4.971 126.118 121.223 -0.128 0.000 2.051 317 L HA -0.261 4.081 4.340 0.003 0.000 0.214 317 L C 2.548 179.388 176.870 -0.050 0.000 1.076 317 L CA 2.566 57.378 54.840 -0.047 0.000 0.758 317 L CB -1.652 40.413 42.059 0.009 0.000 0.890 317 L HN 0.524 nan 8.230 nan 0.000 0.433 318 A N -0.774 121.980 122.820 -0.111 0.000 1.873 318 A HA -0.198 4.124 4.320 0.003 0.000 0.218 318 A C 2.389 179.946 177.584 -0.046 0.000 1.193 318 A CA 2.092 54.084 52.037 -0.076 0.000 0.629 318 A CB -1.642 17.289 19.000 -0.115 0.000 0.826 318 A HN 0.529 nan 8.150 nan 0.000 0.447 319 G N -0.369 108.399 108.800 -0.054 0.000 2.421 319 G HA2 -0.156 3.806 3.960 0.003 0.000 0.216 319 G HA3 -0.156 3.806 3.960 0.003 0.000 0.216 319 G C 1.486 176.376 174.900 -0.015 0.000 1.171 319 G CA 1.276 46.358 45.100 -0.031 0.000 0.775 319 G HN 0.595 nan 8.290 nan 0.000 0.543 320 L N 1.063 122.281 121.223 -0.008 0.000 2.013 320 L HA -0.097 4.245 4.340 0.003 0.000 0.212 320 L C 2.877 179.769 176.870 0.036 0.000 1.073 320 L CA 1.757 56.605 54.840 0.015 0.000 0.753 320 L CB -0.813 41.277 42.059 0.052 0.000 0.890 320 L HN 0.106 nan 8.230 nan 0.000 0.432 321 V N -0.149 119.785 119.914 0.033 0.000 2.237 321 V HA -0.287 3.835 4.120 0.003 0.000 0.245 321 V C 2.435 178.541 176.094 0.020 0.000 1.046 321 V CA 1.978 64.298 62.300 0.034 0.000 1.007 321 V CB -0.929 30.902 31.823 0.013 0.000 0.638 321 V HN 0.458 nan 8.190 nan 0.000 0.445 322 D N 0.268 120.671 120.400 0.005 0.000 2.149 322 D HA -0.185 4.457 4.640 0.003 0.000 0.194 322 D C 1.997 178.298 176.300 0.001 0.000 1.001 322 D CA 1.763 55.763 54.000 -0.000 0.000 0.849 322 D CB -0.144 40.652 40.800 -0.008 0.000 0.939 322 D HN 0.431 nan 8.370 nan 0.000 0.449 323 A N -0.611 122.208 122.820 -0.001 0.000 2.123 323 A HA 0.088 4.410 4.320 0.003 0.000 0.214 323 A C 2.293 179.876 177.584 -0.002 0.000 1.152 323 A CA 0.175 52.208 52.037 -0.006 0.000 0.728 323 A CB -0.286 18.704 19.000 -0.017 0.000 0.814 323 A HN 0.290 nan 8.150 nan 0.000 0.464 324 L N -0.667 120.564 121.223 0.013 0.000 2.179 324 L HA -0.049 4.293 4.340 0.003 0.000 0.208 324 L C 2.317 179.200 176.870 0.022 0.000 1.096 324 L CA 0.657 55.511 54.840 0.025 0.000 0.779 324 L CB -0.282 41.819 42.059 0.069 0.000 0.922 324 L HN 0.397 nan 8.230 nan 0.000 0.443 325 L N -0.649 120.586 121.223 0.019 0.000 2.056 325 L HA -0.183 4.158 4.340 0.003 0.000 0.207 325 L C 2.270 179.144 176.870 0.008 0.000 1.078 325 L CA 1.143 55.992 54.840 0.014 0.000 0.749 325 L CB -0.514 41.551 42.059 0.011 0.000 0.901 325 L HN 0.243 nan 8.230 nan 0.000 0.433 326 E N 0.295 120.497 120.200 0.004 0.000 2.333 326 E HA -0.215 4.137 4.350 0.003 0.000 0.200 326 E C 1.650 178.250 176.600 0.001 0.000 1.010 326 E CA 0.882 57.283 56.400 0.001 0.000 0.841 326 E CB 0.025 29.724 29.700 -0.001 0.000 0.757 326 E HN 0.463 nan 8.360 nan 0.000 0.508 327 R N -0.353 120.148 120.500 0.001 0.000 2.437 327 R HA 0.269 4.611 4.340 0.003 0.000 0.257 327 R C -0.088 176.214 176.300 0.004 0.000 0.927 327 R CA -0.106 55.993 56.100 -0.000 0.000 1.078 327 R CB 0.785 31.081 30.300 -0.006 0.000 1.161 327 R HN -0.033 nan 8.270 nan 0.000 0.529 328 L N 3.344 124.572 121.223 0.008 0.000 2.319 328 L HA 0.437 4.779 4.340 0.003 0.000 0.281 328 L C -2.230 174.645 176.870 0.008 0.000 1.005 328 L CA -2.337 52.510 54.840 0.010 0.000 0.828 328 L CB 1.911 43.980 42.059 0.017 0.000 1.227 328 L HN -0.201 nan 8.230 nan 0.000 0.415 329 P HA 0.144 nan 4.420 nan 0.000 0.267 329 P C -2.533 174.770 177.300 0.006 0.000 1.205 329 P CA -1.031 62.072 63.100 0.005 0.000 0.765 329 P CB 0.080 31.782 31.700 0.005 0.000 0.828 330 P HA -0.006 nan 4.420 nan 0.000 0.268 330 P C 0.019 177.322 177.300 0.005 0.000 1.189 330 P CA 0.646 63.749 63.100 0.005 0.000 0.771 330 P CB 0.310 32.012 31.700 0.003 0.000 0.822 331 S N 0.517 116.220 115.700 0.005 0.000 2.549 331 S HA 0.314 4.786 4.470 0.003 0.000 0.280 331 S C -0.261 174.341 174.600 0.003 0.000 1.109 331 S CA -0.641 57.561 58.200 0.004 0.000 0.905 331 S CB 0.933 64.136 63.200 0.006 0.000 1.081 331 S HN 0.291 nan 8.310 nan 0.000 0.477 332 D N 1.533 121.934 120.400 0.003 0.000 2.398 332 D HA 0.117 4.758 4.640 0.003 0.000 0.210 332 D C 0.676 176.977 176.300 0.002 0.000 1.094 332 D CA -0.120 53.881 54.000 0.002 0.000 0.839 332 D CB 0.258 41.059 40.800 0.002 0.000 0.963 332 D HN 0.452 nan 8.370 nan 0.000 0.506 333 R N 1.028 121.530 120.500 0.003 0.000 2.756 333 R HA 0.175 4.517 4.340 0.003 0.000 0.264 333 R C -0.286 176.016 176.300 0.002 0.000 1.026 333 R CA 0.694 56.796 56.100 0.002 0.000 1.121 333 R CB 0.569 30.871 30.300 0.004 0.000 0.999 333 R HN -0.082 nan 8.270 nan 0.000 0.449 334 T N 1.001 115.556 114.554 0.001 0.000 3.291 334 T HA 0.156 4.507 4.350 0.003 0.000 0.344 334 T C -1.054 173.646 174.700 -0.000 0.000 1.293 334 T CA -0.564 61.536 62.100 0.000 0.000 1.108 334 T CB 1.106 69.974 68.868 -0.000 0.000 1.231 334 T HN 0.700 nan 8.240 nan 0.000 0.474 335 T N 2.784 117.338 114.554 -0.001 0.000 3.444 335 T HA 0.456 4.808 4.350 0.003 0.000 0.265 335 T C 0.943 175.641 174.700 -0.003 0.000 1.537 335 T CA -0.791 61.308 62.100 -0.002 0.000 1.530 335 T CB 0.243 69.110 68.868 -0.001 0.000 0.958 335 T HN 0.577 nan 8.240 nan 0.000 0.684 336 R N 1.471 121.970 120.500 -0.002 0.000 2.005 336 R HA 0.481 4.823 4.340 0.003 0.000 0.213 336 R C 1.269 177.566 176.300 -0.004 0.000 1.308 336 R CA 0.511 56.609 56.100 -0.002 0.000 1.022 336 R CB -0.608 29.691 30.300 -0.001 0.000 0.883 336 R HN 0.690 nan 8.270 nan 0.000 0.470 337 G N 3.415 112.213 108.800 -0.004 0.000 2.392 337 G HA2 -0.315 3.646 3.960 0.003 0.000 0.290 337 G HA3 -0.315 3.646 3.960 0.003 0.000 0.290 337 G C -0.059 174.836 174.900 -0.007 0.000 1.032 337 G CA 0.892 45.988 45.100 -0.006 0.000 1.269 337 G HN 0.453 nan 8.290 nan 0.000 0.511 338 K N -0.792 119.605 120.400 -0.004 0.000 2.373 338 K HA -0.261 4.060 4.320 0.003 0.000 0.170 338 K C 0.579 177.174 176.600 -0.009 0.000 1.479 338 K CA 1.856 58.140 56.287 -0.004 0.000 0.737 338 K CB -0.358 32.139 32.500 -0.005 0.000 0.601 338 K HN 1.392 nan 8.250 nan 0.000 0.972 339 E N -0.464 119.730 120.200 -0.011 0.000 4.836 339 E HA -0.169 4.182 4.350 0.003 0.000 0.320 339 E C -1.940 174.652 176.600 -0.014 0.000 1.595 339 E CA 0.900 57.288 56.400 -0.020 0.000 1.187 339 E CB -0.127 29.552 29.700 -0.036 0.000 0.811 339 E HN 0.418 nan 8.360 nan 0.000 0.336 340 P HA 0.053 nan 4.420 nan 0.000 0.207 340 P C -0.184 177.145 177.300 0.048 0.000 1.208 340 P CA 0.818 63.937 63.100 0.033 0.000 0.908 340 P CB 0.352 32.081 31.700 0.047 0.000 0.744 341 H N -1.917 117.083 119.070 -0.117 0.000 2.917 341 H HA 0.440 4.998 4.556 0.003 0.000 0.272 341 H C -1.969 173.166 175.328 -0.323 0.000 1.228 341 H CA -0.688 55.212 56.048 -0.247 0.000 1.614 341 H CB 0.271 29.834 29.762 -0.332 0.000 1.959 341 H HN 0.280 nan 8.280 nan 0.000 0.500 342 A N 4.761 127.619 122.820 0.063 0.000 2.267 342 A HA 0.615 4.937 4.320 0.003 0.000 0.315 342 A C -1.382 176.138 177.584 -0.108 0.000 1.297 342 A CA -0.441 51.574 52.037 -0.036 0.000 0.865 342 A CB -0.002 18.988 19.000 -0.016 0.000 1.165 342 A HN 0.359 nan 8.150 nan 0.000 0.513 343 Y N 2.536 122.881 120.300 0.075 0.000 2.419 343 Y HA 0.500 5.052 4.550 0.003 0.000 0.328 343 Y C -1.769 174.146 175.900 0.024 0.000 1.162 343 Y CA -2.488 55.623 58.100 0.018 0.000 1.174 343 Y CB 1.000 39.431 38.460 -0.047 0.000 1.228 343 Y HN 0.517 nan 8.280 nan 0.000 0.473 344 P HA 0.086 nan 4.420 nan 0.000 0.270 344 P C -0.498 176.856 177.300 0.090 0.000 1.242 344 P CA 0.069 63.238 63.100 0.115 0.000 0.768 344 P CB 0.591 32.351 31.700 0.100 0.000 0.820 345 T N -1.304 113.292 114.554 0.069 0.000 2.773 345 T HA 0.704 5.055 4.350 0.003 0.000 0.278 345 T C 0.228 174.946 174.700 0.030 0.000 1.011 345 T CA -0.387 61.740 62.100 0.046 0.000 1.014 345 T CB 1.124 70.020 68.868 0.048 0.000 1.293 345 T HN 0.556 nan 8.240 nan 0.000 0.554 346 G N 0.588 109.399 108.800 0.018 0.000 2.738 346 G HA2 0.074 4.036 3.960 0.003 0.000 0.262 346 G HA3 0.074 4.036 3.960 0.003 0.000 0.262 346 G C -0.731 174.174 174.900 0.008 0.000 1.032 346 G CA -0.256 44.851 45.100 0.012 0.000 1.278 346 G HN 1.164 nan 8.290 nan 0.000 0.537 347 L N 2.035 123.260 121.223 0.003 0.000 2.292 347 L HA 0.581 4.922 4.340 0.003 0.000 0.284 347 L C 0.645 177.514 176.870 -0.002 0.000 1.065 347 L CA -0.666 54.174 54.840 -0.000 0.000 0.806 347 L CB 1.161 43.218 42.059 -0.004 0.000 1.175 347 L HN 0.477 nan 8.230 nan 0.000 0.431 348 Q N 5.276 125.075 119.800 -0.003 0.000 2.641 348 Q HA 0.180 4.522 4.340 0.003 0.000 0.225 348 Q C 0.939 176.936 176.000 -0.005 0.000 1.309 348 Q CA 0.394 56.195 55.803 -0.003 0.000 0.935 348 Q CB 0.589 29.325 28.738 -0.003 0.000 1.557 348 Q HN 0.839 nan 8.270 nan 0.000 0.563 349 A N 2.642 125.459 122.820 -0.005 0.000 2.219 349 A HA -0.144 4.177 4.320 0.003 0.000 0.201 349 A C 0.532 178.114 177.584 -0.005 0.000 1.345 349 A CA 0.497 52.531 52.037 -0.005 0.000 0.930 349 A CB -0.810 18.187 19.000 -0.004 0.000 0.743 349 A HN 0.639 nan 8.150 nan 0.000 0.519 350 D N -1.826 118.571 120.400 -0.005 0.000 2.398 350 D HA 0.379 5.020 4.640 0.003 0.000 0.264 350 D C 1.073 177.370 176.300 -0.006 0.000 1.263 350 D CA 0.048 54.045 54.000 -0.005 0.000 1.037 350 D CB 0.058 40.855 40.800 -0.005 0.000 1.101 350 D HN -0.051 nan 8.370 nan 0.000 0.551 351 G N -1.174 107.623 108.800 -0.006 0.000 3.518 351 G HA2 0.056 4.018 3.960 0.003 0.000 0.273 351 G HA3 0.056 4.018 3.960 0.003 0.000 0.273 351 G C -0.076 174.819 174.900 -0.008 0.000 1.199 351 G CA -0.371 44.725 45.100 -0.007 0.000 0.899 351 G HN 0.246 nan 8.290 nan 0.000 0.533 352 E N 2.052 122.246 120.200 -0.009 0.000 2.313 352 E HA 0.200 4.552 4.350 0.003 0.000 0.276 352 E C -2.207 174.383 176.600 -0.016 0.000 1.031 352 E CA -2.218 54.175 56.400 -0.011 0.000 0.857 352 E CB 1.461 31.155 29.700 -0.009 0.000 1.040 352 E HN 0.128 nan 8.360 nan 0.000 0.408 353 P HA -0.051 nan 4.420 nan 0.000 0.263 353 P C 0.279 177.560 177.300 -0.033 0.000 1.175 353 P CA 0.199 63.285 63.100 -0.023 0.000 0.761 353 P CB 0.497 32.187 31.700 -0.018 0.000 0.794 354 I N 1.243 121.785 120.570 -0.047 0.000 2.836 354 I HA 0.275 4.446 4.170 0.003 0.000 0.285 354 I C 0.942 177.012 176.117 -0.079 0.000 1.174 354 I CA 0.008 61.265 61.300 -0.072 0.000 1.405 354 I CB -0.249 37.687 38.000 -0.106 0.000 1.385 354 I HN 0.426 nan 8.210 nan 0.000 0.594 355 A N 6.012 128.779 122.820 -0.089 0.000 2.515 355 A HA 0.648 4.969 4.320 0.003 0.000 0.298 355 A C -2.088 175.431 177.584 -0.108 0.000 1.059 355 A CA -1.329 50.662 52.037 -0.077 0.000 0.698 355 A CB 1.603 20.581 19.000 -0.037 0.000 1.289 355 A HN 0.448 nan 8.150 nan 0.000 0.404 356 P HA -0.263 nan 4.420 nan 0.000 0.218 356 P C 1.681 178.969 177.300 -0.020 0.000 1.165 356 P CA 1.922 64.976 63.100 -0.078 0.000 0.922 356 P CB -0.060 31.678 31.700 0.063 0.000 0.794 357 M N -0.995 118.615 119.600 0.016 0.000 2.144 357 M HA -0.182 4.299 4.480 0.003 0.000 0.260 357 M C 1.667 177.973 176.300 0.010 0.000 1.067 357 M CA 1.670 56.989 55.300 0.032 0.000 1.095 357 M CB -1.770 30.852 32.600 0.037 0.000 1.365 357 M HN 0.047 nan 8.290 nan 0.000 0.406 358 D N 0.364 120.752 120.400 -0.020 0.000 2.104 358 D HA -0.147 4.495 4.640 0.003 0.000 0.194 358 D C 2.125 178.409 176.300 -0.027 0.000 0.994 358 D CA 1.288 55.273 54.000 -0.025 0.000 0.830 358 D CB -0.120 40.654 40.800 -0.044 0.000 0.959 358 D HN 0.386 nan 8.370 nan 0.000 0.452 359 I N 1.429 121.965 120.570 -0.057 0.000 2.163 359 I HA -0.301 3.871 4.170 0.003 0.000 0.243 359 I C 2.652 178.782 176.117 0.021 0.000 1.085 359 I CA 0.999 62.276 61.300 -0.039 0.000 1.347 359 I CB -0.310 37.624 38.000 -0.110 0.000 1.044 359 I HN -0.072 nan 8.210 nan 0.000 0.408 360 A N 1.206 124.050 122.820 0.040 0.000 1.859 360 A HA -0.274 4.047 4.320 0.003 0.000 0.217 360 A C 2.378 179.976 177.584 0.022 0.000 1.198 360 A CA 2.018 54.082 52.037 0.045 0.000 0.629 360 A CB -0.791 18.244 19.000 0.059 0.000 0.830 360 A HN 0.339 nan 8.150 nan 0.000 0.446 361 R N -0.573 119.941 120.500 0.023 0.000 2.112 361 R HA -0.217 4.125 4.340 0.003 0.000 0.242 361 R C 2.512 178.815 176.300 0.005 0.000 1.137 361 R CA 1.512 57.623 56.100 0.017 0.000 0.944 361 R CB -0.841 29.468 30.300 0.015 0.000 0.857 361 R HN 0.548 nan 8.270 nan 0.000 0.435 362 A N 0.963 123.786 122.820 0.004 0.000 1.870 362 A HA -0.244 4.078 4.320 0.003 0.000 0.219 362 A C 2.473 180.056 177.584 -0.001 0.000 1.224 362 A CA 2.512 54.551 52.037 0.003 0.000 0.650 362 A CB -1.063 17.943 19.000 0.010 0.000 0.836 362 A HN 0.173 nan 8.150 nan 0.000 0.454 363 V N 0.791 120.711 119.914 0.011 0.000 2.261 363 V HA -0.300 3.822 4.120 0.003 0.000 0.246 363 V C 2.342 178.409 176.094 -0.044 0.000 1.047 363 V CA 2.136 64.438 62.300 0.003 0.000 1.015 363 V CB -1.230 30.607 31.823 0.023 0.000 0.642 363 V HN 0.575 nan 8.190 nan 0.000 0.446 364 N N 0.527 119.199 118.700 -0.046 0.000 2.036 364 N HA -0.211 4.531 4.740 0.003 0.000 0.195 364 N C 1.604 177.087 175.510 -0.045 0.000 1.037 364 N CA 1.987 55.000 53.050 -0.060 0.000 0.855 364 N CB -0.630 37.839 38.487 -0.031 0.000 1.033 364 N HN 0.497 nan 8.380 nan 0.000 0.423 365 D N 0.925 121.307 120.400 -0.030 0.000 2.103 365 D HA -0.143 4.499 4.640 0.003 0.000 0.190 365 D C 2.068 178.331 176.300 -0.061 0.000 0.997 365 D CA 0.868 54.849 54.000 -0.031 0.000 0.833 365 D CB -0.325 40.461 40.800 -0.022 0.000 0.961 365 D HN 0.246 nan 8.370 nan 0.000 0.447 366 R N 0.301 120.749 120.500 -0.087 0.000 2.113 366 R HA -0.164 4.178 4.340 0.003 0.000 0.244 366 R C 2.403 178.606 176.300 -0.162 0.000 1.142 366 R CA 1.250 57.259 56.100 -0.152 0.000 0.953 366 R CB -0.501 29.660 30.300 -0.232 0.000 0.860 366 R HN 0.134 nan 8.270 nan 0.000 0.438 367 V N 0.739 120.571 119.914 -0.137 0.000 2.295 367 V HA -0.237 3.884 4.120 0.003 0.000 0.246 367 V C 2.362 178.410 176.094 -0.077 0.000 1.049 367 V CA 1.613 63.843 62.300 -0.116 0.000 1.024 367 V CB -0.515 31.249 31.823 -0.100 0.000 0.648 367 V HN 0.265 nan 8.190 nan 0.000 0.447 368 R N 0.402 120.870 120.500 -0.053 0.000 2.148 368 R HA 0.028 4.369 4.340 0.003 0.000 0.227 368 R C 2.234 178.513 176.300 -0.034 0.000 1.103 368 R CA 1.302 57.385 56.100 -0.027 0.000 0.983 368 R CB -1.075 29.221 30.300 -0.006 0.000 0.874 368 R HN 0.553 nan 8.270 nan 0.000 0.451 369 A N -0.450 122.339 122.820 -0.052 0.000 2.168 369 A HA 0.126 4.448 4.320 0.003 0.000 0.215 369 A C 1.436 178.987 177.584 -0.055 0.000 1.152 369 A CA 1.480 53.486 52.037 -0.051 0.000 0.716 369 A CB -0.011 18.951 19.000 -0.064 0.000 0.794 369 A HN 0.429 nan 8.150 nan 0.000 0.465 370 G N -1.910 106.852 108.800 -0.063 0.000 2.370 370 G HA2 -0.143 3.819 3.960 0.003 0.000 0.174 370 G HA3 -0.143 3.819 3.960 0.003 0.000 0.174 370 G C 0.140 174.995 174.900 -0.075 0.000 1.002 370 G CA 0.122 45.188 45.100 -0.057 0.000 0.730 370 G HN 0.658 nan 8.290 nan 0.000 0.497 371 Q N 1.122 120.851 119.800 -0.118 0.000 2.297 371 Q HA 0.411 4.753 4.340 0.003 0.000 0.267 371 Q C 0.370 176.315 176.000 -0.092 0.000 1.006 371 Q CA -0.129 55.582 55.803 -0.154 0.000 0.896 371 Q CB 0.580 29.129 28.738 -0.314 0.000 1.186 371 Q HN 0.359 nan 8.270 nan 0.000 0.392 372 E N 5.164 125.337 120.200 -0.045 0.000 2.442 372 E HA 0.093 4.445 4.350 0.003 0.000 0.262 372 E C -2.333 174.267 176.600 -0.000 0.000 1.004 372 E CA -1.138 55.255 56.400 -0.011 0.000 0.928 372 E CB 0.565 30.276 29.700 0.018 0.000 0.937 372 E HN 0.392 nan 8.360 nan 0.000 0.446 373 P HA 0.126 nan 4.420 nan 0.000 0.276 373 P C -0.950 176.367 177.300 0.029 0.000 1.235 373 P CA 0.035 63.131 63.100 -0.007 0.000 0.772 373 P CB 0.530 32.207 31.700 -0.039 0.000 0.871 374 L N 3.483 124.742 121.223 0.060 0.000 2.325 374 L HA 0.397 4.739 4.340 0.003 0.000 0.279 374 L C 0.775 177.664 176.870 0.031 0.000 1.054 374 L CA -1.088 53.796 54.840 0.073 0.000 0.804 374 L CB 1.111 43.240 42.059 0.116 0.000 1.200 374 L HN 0.321 nan 8.230 nan 0.000 0.436 375 L N 3.444 124.690 121.223 0.038 0.000 2.467 375 L HA 0.309 4.650 4.340 0.003 0.000 0.270 375 L C -0.491 176.385 176.870 0.010 0.000 1.205 375 L CA 0.148 55.000 54.840 0.020 0.000 0.828 375 L CB 0.634 42.740 42.059 0.077 0.000 1.101 375 L HN 0.426 nan 8.230 nan 0.000 0.479 376 I N 3.863 124.421 120.570 -0.019 0.000 2.530 376 I HA 0.522 4.694 4.170 0.003 0.000 0.297 376 I C -0.306 175.800 176.117 -0.020 0.000 1.011 376 I CA -0.650 60.633 61.300 -0.028 0.000 1.107 376 I CB 1.847 39.815 38.000 -0.053 0.000 1.285 376 I HN 0.664 nan 8.210 nan 0.000 0.436 377 A N 4.811 127.617 122.820 -0.024 0.000 2.285 377 A HA 0.869 5.191 4.320 0.003 0.000 0.310 377 A C -0.561 177.010 177.584 -0.022 0.000 1.266 377 A CA -0.459 51.580 52.037 0.004 0.000 0.832 377 A CB 0.984 19.950 19.000 -0.056 0.000 1.163 377 A HN 0.792 nan 8.150 nan 0.000 0.499 378 A N 2.397 125.227 122.820 0.015 0.000 2.355 378 A HA 0.686 5.007 4.320 0.003 0.000 0.317 378 A C -0.351 177.229 177.584 -0.007 0.000 1.094 378 A CA -0.550 51.452 52.037 -0.058 0.000 0.764 378 A CB 0.847 19.781 19.000 -0.110 0.000 1.230 378 A HN 0.770 nan 8.150 nan 0.000 0.448 379 D N 1.047 121.398 120.400 -0.080 0.000 2.433 379 D HA 0.258 4.899 4.640 0.003 0.000 0.255 379 D C -0.240 175.996 176.300 -0.107 0.000 1.226 379 D CA -0.153 53.804 54.000 -0.072 0.000 1.015 379 D CB 0.661 41.386 40.800 -0.126 0.000 1.091 379 D HN 0.375 nan 8.370 nan 0.000 0.527 380 M N 0.195 119.735 119.600 -0.100 0.000 2.249 380 M HA 0.419 4.900 4.480 0.003 0.000 0.351 380 M C 0.402 176.676 176.300 -0.044 0.000 1.180 380 M CA 0.177 55.424 55.300 -0.089 0.000 1.127 380 M CB 0.240 32.785 32.600 -0.093 0.000 1.546 380 M HN 0.679 nan 8.290 nan 0.000 0.461 381 G N 3.683 112.496 108.800 0.022 0.000 2.325 381 G HA2 -0.121 3.841 3.960 0.003 0.000 0.285 381 G HA3 -0.121 3.841 3.960 0.003 0.000 0.285 381 G C -0.269 174.738 174.900 0.177 0.000 1.303 381 G CA -0.103 45.049 45.100 0.086 0.000 0.970 381 G HN 0.557 nan 8.290 nan 0.000 0.490 382 D N -0.437 120.061 120.400 0.163 0.000 2.351 382 D HA -0.066 4.576 4.640 0.003 0.000 0.216 382 D C 2.442 178.851 176.300 0.181 0.000 0.968 382 D CA 2.153 56.287 54.000 0.223 0.000 0.899 382 D CB -0.452 40.463 40.800 0.192 0.000 0.907 382 D HN 0.787 nan 8.370 nan 0.000 0.514 383 C N -1.109 118.152 119.300 -0.065 0.000 2.450 383 C HA 0.108 4.570 4.460 0.003 0.000 0.279 383 C C 2.479 177.338 174.990 -0.218 0.000 1.335 383 C CA -0.084 58.660 59.018 -0.457 0.000 1.749 383 C CB -1.369 25.893 27.740 -0.798 0.000 1.963 383 C HN 0.316 nan 8.230 nan 0.000 0.501 384 L N 0.919 122.067 121.223 -0.124 0.000 1.988 384 L HA 0.149 4.491 4.340 0.003 0.000 0.207 384 L C 2.291 179.067 176.870 -0.156 0.000 1.071 384 L CA 1.995 56.731 54.840 -0.172 0.000 0.744 384 L CB -1.331 40.568 42.059 -0.267 0.000 0.893 384 L HN 0.258 nan 8.230 nan 0.000 0.433 385 F N -0.094 119.836 119.950 -0.033 0.000 2.373 385 F HA -0.183 4.346 4.527 0.003 0.000 0.300 385 F C 2.221 178.031 175.800 0.016 0.000 1.080 385 F CA 1.646 59.632 58.000 -0.022 0.000 1.417 385 F CB -1.001 37.993 39.000 -0.009 0.000 1.070 385 F HN 0.151 nan 8.300 nan 0.000 0.546 386 T N -1.280 113.390 114.554 0.193 0.000 3.044 386 T HA 0.120 4.471 4.350 0.003 0.000 0.255 386 T C 2.181 176.947 174.700 0.110 0.000 1.073 386 T CA 0.782 62.998 62.100 0.192 0.000 1.125 386 T CB -0.148 68.925 68.868 0.341 0.000 0.908 386 T HN 0.247 nan 8.240 nan 0.000 0.480 387 A N 1.675 124.513 122.820 0.029 0.000 2.119 387 A HA 0.103 4.425 4.320 0.003 0.000 0.217 387 A C 2.216 179.774 177.584 -0.043 0.000 1.153 387 A CA 0.751 52.774 52.037 -0.023 0.000 0.692 387 A CB -0.621 18.333 19.000 -0.077 0.000 0.799 387 A HN 0.412 nan 8.150 nan 0.000 0.458 388 M N -0.134 119.452 119.600 -0.024 0.000 2.213 388 M HA -0.113 4.368 4.480 0.003 0.000 0.263 388 M C 0.307 176.614 176.300 0.012 0.000 1.062 388 M CA 1.196 56.483 55.300 -0.021 0.000 1.105 388 M CB -0.635 31.958 32.600 -0.012 0.000 1.385 388 M HN 0.226 nan 8.290 nan 0.000 0.417 389 D N 0.429 120.856 120.400 0.045 0.000 2.325 389 D HA 0.227 4.869 4.640 0.003 0.000 0.234 389 D C 0.156 176.427 176.300 -0.048 0.000 1.122 389 D CA 0.395 54.451 54.000 0.094 0.000 0.850 389 D CB 0.109 40.990 40.800 0.134 0.000 0.921 389 D HN 0.348 nan 8.370 nan 0.000 0.513 390 M N 0.595 120.095 119.600 -0.167 0.000 2.364 390 M HA 0.341 4.823 4.480 0.003 0.000 0.334 390 M C 0.036 176.046 176.300 -0.483 0.000 1.107 390 M CA -0.719 54.423 55.300 -0.264 0.000 0.988 390 M CB 2.597 35.123 32.600 -0.123 0.000 1.673 390 M HN -0.285 nan 8.290 nan 0.000 0.441 391 I N 3.245 123.458 120.570 -0.596 0.000 2.598 391 I HA -0.024 4.148 4.170 0.003 0.000 0.284 391 I C -0.104 175.839 176.117 -0.291 0.000 1.140 391 I CA 0.268 61.214 61.300 -0.590 0.000 1.420 391 I CB -0.002 37.736 38.000 -0.436 0.000 1.387 391 I HN 0.702 nan 8.210 nan 0.000 0.553 392 D N 5.133 125.392 120.400 -0.235 0.000 2.758 392 D HA 0.699 5.341 4.640 0.003 0.000 0.279 392 D C -0.557 175.681 176.300 -0.102 0.000 1.111 392 D CA -0.814 53.102 54.000 -0.140 0.000 1.109 392 D CB 1.505 42.223 40.800 -0.136 0.000 1.428 392 D HN 0.404 nan 8.370 nan 0.000 0.586 393 A N -0.589 122.185 122.820 -0.077 0.000 2.992 393 A HA 0.718 5.039 4.320 0.003 0.000 0.263 393 A C 0.364 177.898 177.584 -0.082 0.000 0.928 393 A CA 0.099 52.096 52.037 -0.066 0.000 1.061 393 A CB -0.564 18.415 19.000 -0.035 0.000 1.173 393 A HN 1.539 nan 8.150 nan 0.000 0.482 394 G N -0.283 108.454 108.800 -0.105 0.000 3.226 394 G HA2 0.255 4.217 3.960 0.003 0.000 0.685 394 G HA3 0.255 4.217 3.960 0.003 0.000 0.685 394 G C -1.126 173.705 174.900 -0.115 0.000 1.207 394 G CA -0.340 44.686 45.100 -0.123 0.000 0.877 394 G HN 1.022 nan 8.290 nan 0.000 0.585 395 L N 2.616 123.743 121.223 -0.160 0.000 2.334 395 L HA 1.002 5.344 4.340 0.003 0.000 0.270 395 L C 0.388 177.172 176.870 -0.143 0.000 1.018 395 L CA -1.236 53.505 54.840 -0.165 0.000 0.811 395 L CB 1.900 43.806 42.059 -0.255 0.000 1.271 395 L HN 0.782 nan 8.230 nan 0.000 0.443 396 M N 3.898 123.449 119.600 -0.082 0.000 2.210 396 M HA 0.637 5.119 4.480 0.003 0.000 0.235 396 M C -1.901 174.422 176.300 0.038 0.000 0.974 396 M CA -0.177 55.121 55.300 -0.002 0.000 1.043 396 M CB 1.226 33.893 32.600 0.112 0.000 2.331 396 M HN 0.699 nan 8.290 nan 0.000 0.452 397 A N 4.490 127.216 122.820 -0.156 0.000 2.609 397 A HA 0.968 5.290 4.320 0.003 0.000 0.291 397 A C -2.931 174.378 177.584 -0.458 0.000 1.096 397 A CA -0.937 50.912 52.037 -0.313 0.000 0.684 397 A CB 1.589 20.515 19.000 -0.123 0.000 1.282 397 A HN 0.545 nan 8.150 nan 0.000 0.412 398 P HA 0.159 nan 4.420 nan 0.000 0.225 398 P C 0.850 178.075 177.300 -0.125 0.000 1.813 398 P CA 0.461 63.350 63.100 -0.353 0.000 1.013 398 P CB 0.117 31.614 31.700 -0.338 0.000 1.961 399 G N 1.116 109.885 108.800 -0.051 0.000 2.394 399 G HA2 -0.235 3.727 3.960 0.003 0.000 0.214 399 G HA3 -0.235 3.727 3.960 0.003 0.000 0.214 399 G C 0.632 175.573 174.900 0.068 0.000 1.176 399 G CA 0.427 45.521 45.100 -0.010 0.000 0.786 399 G HN 0.277 nan 8.290 nan 0.000 0.533 400 Y N -1.270 119.061 120.300 0.053 0.000 2.462 400 Y HA 0.320 4.871 4.550 0.003 0.000 0.293 400 Y C 1.394 177.361 175.900 0.112 0.000 1.195 400 Y CA -1.098 57.025 58.100 0.038 0.000 1.276 400 Y CB -0.324 38.183 38.460 0.078 0.000 1.082 400 Y HN 0.367 nan 8.280 nan 0.000 0.514 401 Y N -0.518 119.815 120.300 0.055 0.000 2.550 401 Y HA 0.511 5.063 4.550 0.003 0.000 0.275 401 Y C 1.646 177.534 175.900 -0.020 0.000 1.148 401 Y CA 0.421 58.535 58.100 0.023 0.000 1.200 401 Y CB 0.217 38.694 38.460 0.028 0.000 1.299 401 Y HN -0.109 nan 8.280 nan 0.000 0.509 402 A N 0.466 123.204 122.820 -0.136 0.000 2.847 402 A HA -0.180 4.141 4.320 0.003 0.000 0.263 402 A C 1.076 178.510 177.584 -0.250 0.000 1.391 402 A CA 0.925 52.839 52.037 -0.204 0.000 0.866 402 A CB -2.352 16.526 19.000 -0.203 0.000 1.057 402 A HN 0.920 nan 8.150 nan 0.000 0.673 403 G N -0.240 108.439 108.800 -0.201 0.000 2.508 403 G HA2 0.449 4.410 3.960 0.003 0.000 0.301 403 G HA3 0.449 4.410 3.960 0.003 0.000 0.301 403 G C 0.188 175.096 174.900 0.012 0.000 0.965 403 G CA 0.228 45.298 45.100 -0.050 0.000 1.339 403 G HN 0.617 nan 8.290 nan 0.000 0.455 404 M N 1.515 121.086 119.600 -0.049 0.000 2.252 404 M HA 0.301 4.783 4.480 0.003 0.000 0.321 404 M C 1.564 177.835 176.300 -0.049 0.000 1.070 404 M CA 2.178 57.440 55.300 -0.065 0.000 1.143 404 M CB 0.664 33.217 32.600 -0.079 0.000 1.498 404 M HN 0.806 nan 8.290 nan 0.000 0.445 405 G N 1.733 110.445 108.800 -0.148 0.000 2.307 405 G HA2 -0.286 3.676 3.960 0.003 0.000 0.210 405 G HA3 -0.286 3.676 3.960 0.003 0.000 0.210 405 G C 0.421 174.932 174.900 -0.648 0.000 1.005 405 G CA 0.339 45.301 45.100 -0.231 0.000 0.634 405 G HN 0.708 nan 8.290 nan 0.000 0.496 406 F N 2.197 121.523 119.950 -1.040 0.000 2.000 406 F HA 0.150 4.679 4.527 0.003 0.000 0.296 406 F C 2.714 178.149 175.800 -0.610 0.000 1.159 406 F CA 3.701 61.008 58.000 -1.154 0.000 1.183 406 F CB -0.835 37.781 39.000 -0.639 0.000 0.959 406 F HN 0.602 nan 8.300 nan 0.000 0.490 407 G N 0.551 109.254 108.800 -0.161 0.000 3.869 407 G HA2 -0.449 3.513 3.960 0.003 0.000 0.260 407 G HA3 -0.449 3.513 3.960 0.003 0.000 0.260 407 G C 1.529 176.230 174.900 -0.331 0.000 0.870 407 G CA 2.407 47.393 45.100 -0.190 0.000 0.731 407 G HN 0.475 nan 8.290 nan 0.000 1.403 408 V N 2.833 122.559 119.914 -0.313 0.000 2.220 408 V HA -0.195 3.927 4.120 0.003 0.000 0.250 408 V C 0.682 176.566 176.094 -0.350 0.000 1.056 408 V CA 3.125 65.240 62.300 -0.309 0.000 1.016 408 V CB -1.597 30.012 31.823 -0.357 0.000 0.639 408 V HN 0.432 nan 8.190 nan 0.000 0.446 409 P HA -0.284 nan 4.420 nan 0.000 0.217 409 P C 1.725 178.768 177.300 -0.429 0.000 1.162 409 P CA 2.587 65.489 63.100 -0.331 0.000 0.901 409 P CB -0.260 31.303 31.700 -0.228 0.000 0.793 410 A N -0.393 122.025 122.820 -0.670 0.000 1.859 410 A HA -0.170 4.151 4.320 0.003 0.000 0.217 410 A C 2.568 179.906 177.584 -0.410 0.000 1.198 410 A CA 2.484 54.067 52.037 -0.756 0.000 0.629 410 A CB -2.001 16.137 19.000 -1.438 0.000 0.830 410 A HN 0.294 nan 8.150 nan 0.000 0.446 411 G N -0.149 108.456 108.800 -0.326 0.000 2.469 411 G HA2 -0.245 3.716 3.960 0.003 0.000 0.219 411 G HA3 -0.245 3.716 3.960 0.003 0.000 0.219 411 G C 1.527 176.306 174.900 -0.202 0.000 1.150 411 G CA 1.237 46.214 45.100 -0.206 0.000 0.763 411 G HN 0.514 nan 8.290 nan 0.000 0.561 412 I N 1.156 121.587 120.570 -0.231 0.000 2.113 412 I HA -0.117 4.055 4.170 0.003 0.000 0.238 412 I C 3.175 179.173 176.117 -0.198 0.000 1.070 412 I CA 1.168 62.349 61.300 -0.199 0.000 1.332 412 I CB -0.805 37.075 38.000 -0.200 0.000 1.044 412 I HN 0.245 nan 8.210 nan 0.000 0.402 413 G N 0.573 109.198 108.800 -0.292 0.000 2.505 413 G HA2 -0.310 3.652 3.960 0.003 0.000 0.220 413 G HA3 -0.310 3.652 3.960 0.003 0.000 0.220 413 G C 1.793 176.596 174.900 -0.162 0.000 1.145 413 G CA 1.150 46.049 45.100 -0.335 0.000 0.761 413 G HN 0.527 nan 8.290 nan 0.000 0.571 414 A N 0.556 123.247 122.820 -0.214 0.000 1.837 414 A HA -0.208 4.114 4.320 0.003 0.000 0.216 414 A C 2.297 179.669 177.584 -0.354 0.000 1.210 414 A CA 2.295 54.157 52.037 -0.292 0.000 0.632 414 A CB -0.980 17.918 19.000 -0.170 0.000 0.843 414 A HN 0.443 nan 8.150 nan 0.000 0.448 415 Q N -1.082 118.580 119.800 -0.230 0.000 2.389 415 Q HA -0.220 4.121 4.340 0.003 0.000 0.213 415 Q C 1.786 177.689 176.000 -0.161 0.000 0.989 415 Q CA 1.679 57.373 55.803 -0.182 0.000 0.891 415 Q CB -0.558 28.109 28.738 -0.118 0.000 0.923 415 Q HN 0.702 nan 8.270 nan 0.000 0.455 416 C N -1.008 118.209 119.300 -0.139 0.000 2.456 416 C HA 0.002 4.464 4.460 0.003 0.000 0.279 416 C C 2.051 177.015 174.990 -0.044 0.000 1.427 416 C CA 0.735 59.690 59.018 -0.105 0.000 1.778 416 C CB -0.441 27.295 27.740 -0.007 0.000 1.842 416 C HN 0.667 nan 8.230 nan 0.000 0.531 417 V N -2.023 117.817 119.914 -0.124 0.000 3.502 417 V HA 0.163 4.284 4.120 0.003 0.000 0.288 417 V C 1.826 177.798 176.094 -0.203 0.000 1.461 417 V CA 1.008 63.238 62.300 -0.116 0.000 1.029 417 V CB -0.768 31.006 31.823 -0.083 0.000 0.843 417 V HN 0.376 nan 8.190 nan 0.000 0.438 418 S N 1.490 116.992 115.700 -0.331 0.000 2.488 418 S HA -0.002 4.470 4.470 0.003 0.000 0.246 418 S C 1.930 176.537 174.600 0.013 0.000 0.992 418 S CA 1.240 59.318 58.200 -0.204 0.000 0.963 418 S CB -1.139 61.971 63.200 -0.150 0.000 0.754 418 S HN 2.043 nan 8.310 nan 0.000 0.519 419 G N 0.392 109.190 108.800 -0.004 0.000 2.258 419 G HA2 0.031 3.992 3.960 0.003 0.000 0.274 419 G HA3 0.031 3.992 3.960 0.003 0.000 0.274 419 G C 0.966 175.882 174.900 0.026 0.000 1.021 419 G CA 0.740 45.855 45.100 0.026 0.000 0.798 419 G HN 1.806 nan 8.290 nan 0.000 0.507 420 G N -1.315 107.493 108.800 0.014 0.000 3.330 420 G HA2 -0.132 3.830 3.960 0.003 0.000 0.197 420 G HA3 -0.132 3.830 3.960 0.003 0.000 0.197 420 G C 0.554 175.467 174.900 0.022 0.000 1.284 420 G CA 0.345 45.456 45.100 0.018 0.000 0.921 420 G HN 0.757 nan 8.290 nan 0.000 0.466 421 K N 1.344 121.771 120.400 0.045 0.000 2.552 421 K HA 0.156 4.478 4.320 0.003 0.000 0.276 421 K C 0.578 177.194 176.600 0.028 0.000 0.960 421 K CA 0.195 56.517 56.287 0.059 0.000 0.961 421 K CB 0.580 33.149 32.500 0.113 0.000 0.902 421 K HN 0.580 nan 8.250 nan 0.000 0.515 422 R N 1.235 121.753 120.500 0.029 0.000 2.598 422 R HA 0.384 4.725 4.340 0.003 0.000 0.279 422 R C -0.356 175.940 176.300 -0.006 0.000 0.984 422 R CA -0.691 55.403 56.100 -0.010 0.000 0.999 422 R CB 0.779 31.058 30.300 -0.034 0.000 1.114 422 R HN 0.370 nan 8.270 nan 0.000 0.493 423 I N 4.118 124.663 120.570 -0.041 0.000 2.474 423 I HA 0.297 4.469 4.170 0.003 0.000 0.294 423 I C -0.734 175.348 176.117 -0.059 0.000 1.005 423 I CA -0.922 60.356 61.300 -0.036 0.000 1.113 423 I CB 1.495 39.459 38.000 -0.060 0.000 1.289 423 I HN 0.515 nan 8.210 nan 0.000 0.436 424 L N 5.761 126.961 121.223 -0.038 0.000 2.307 424 L HA 0.614 4.955 4.340 0.003 0.000 0.284 424 L C -0.245 176.595 176.870 -0.051 0.000 1.023 424 L CA 0.346 55.159 54.840 -0.044 0.000 0.810 424 L CB 1.692 43.750 42.059 -0.002 0.000 1.231 424 L HN 0.581 nan 8.230 nan 0.000 0.423 425 T N 4.518 119.035 114.554 -0.063 0.000 2.863 425 T HA 0.703 5.054 4.350 0.003 0.000 0.285 425 T C -1.093 173.554 174.700 -0.089 0.000 1.009 425 T CA -0.395 61.654 62.100 -0.085 0.000 0.989 425 T CB 1.555 70.359 68.868 -0.107 0.000 1.004 425 T HN 0.566 nan 8.240 nan 0.000 0.455 426 V N 1.209 121.035 119.914 -0.147 0.000 2.588 426 V HA 0.988 5.110 4.120 0.003 0.000 0.304 426 V C -0.614 175.267 176.094 -0.355 0.000 1.042 426 V CA -0.857 61.280 62.300 -0.273 0.000 0.877 426 V CB 1.350 32.958 31.823 -0.359 0.000 0.996 426 V HN 0.695 nan 8.190 nan 0.000 0.425 427 V N 3.240 122.918 119.914 -0.394 0.000 3.000 427 V HA 0.876 4.998 4.120 0.003 0.000 0.300 427 V C 0.408 176.360 176.094 -0.237 0.000 1.251 427 V CA 0.524 62.648 62.300 -0.293 0.000 0.972 427 V CB 2.078 33.814 31.823 -0.145 0.000 1.065 427 V HN 1.480 nan 8.190 nan 0.000 0.431 428 G N 3.068 111.772 108.800 -0.160 0.000 2.537 428 G HA2 0.349 4.311 3.960 0.003 0.000 0.273 428 G HA3 0.349 4.311 3.960 0.003 0.000 0.273 428 G C 0.700 175.562 174.900 -0.064 0.000 1.189 428 G CA 0.389 45.476 45.100 -0.022 0.000 0.881 428 G HN 0.993 nan 8.290 nan 0.000 0.535 429 D N 0.309 120.688 120.400 -0.035 0.000 2.133 429 D HA -0.157 4.485 4.640 0.003 0.000 0.195 429 D C 2.208 178.488 176.300 -0.033 0.000 0.997 429 D CA 1.538 55.489 54.000 -0.081 0.000 0.840 429 D CB -0.937 39.952 40.800 0.148 0.000 0.947 429 D HN 0.495 nan 8.370 nan 0.000 0.452 430 G N 0.621 109.471 108.800 0.083 0.000 2.432 430 G HA2 -0.065 3.896 3.960 0.003 0.000 0.219 430 G HA3 -0.065 3.896 3.960 0.003 0.000 0.219 430 G C 1.755 176.751 174.900 0.161 0.000 1.135 430 G CA 1.284 46.522 45.100 0.231 0.000 0.767 430 G HN 0.558 nan 8.290 nan 0.000 0.550 431 A N -0.177 122.667 122.820 0.040 0.000 1.984 431 A HA 0.347 4.669 4.320 0.003 0.000 0.214 431 A C 2.003 179.482 177.584 -0.174 0.000 1.173 431 A CA 0.621 52.628 52.037 -0.051 0.000 0.673 431 A CB -0.324 18.629 19.000 -0.079 0.000 0.830 431 A HN 0.282 nan 8.150 nan 0.000 0.453 432 F N 1.110 120.828 119.950 -0.387 0.000 2.216 432 F HA -0.165 4.364 4.527 0.003 0.000 0.300 432 F C 2.293 177.676 175.800 -0.695 0.000 1.085 432 F CA 1.870 59.486 58.000 -0.641 0.000 1.326 432 F CB -0.104 38.329 39.000 -0.946 0.000 1.027 432 F HN 0.300 nan 8.300 nan 0.000 0.497 433 Q N -0.669 118.961 119.800 -0.283 0.000 2.437 433 Q HA -0.149 4.192 4.340 0.003 0.000 0.210 433 Q C 1.868 177.922 176.000 0.089 0.000 0.972 433 Q CA 1.279 57.020 55.803 -0.103 0.000 0.903 433 Q CB -0.075 28.500 28.738 -0.273 0.000 0.967 433 Q HN 0.522 nan 8.270 nan 0.000 0.486 434 M N -1.245 118.307 119.600 -0.078 0.000 2.557 434 M HA 0.019 4.501 4.480 0.003 0.000 0.262 434 M C 1.597 177.886 176.300 -0.019 0.000 1.168 434 M CA 1.421 56.742 55.300 0.034 0.000 1.194 434 M CB 0.469 33.080 32.600 0.018 0.000 1.311 434 M HN 0.129 nan 8.290 nan 0.000 0.489 435 T N -3.985 110.386 114.554 -0.305 0.000 3.192 435 T HA 0.260 4.611 4.350 0.003 0.000 0.295 435 T C 1.378 175.650 174.700 -0.713 0.000 0.947 435 T CA 0.216 62.127 62.100 -0.316 0.000 0.916 435 T CB -0.136 68.616 68.868 -0.194 0.000 1.169 435 T HN 0.335 nan 8.240 nan 0.000 0.540 436 G N 0.778 108.702 108.800 -1.461 0.000 2.559 436 G HA2 -0.002 3.959 3.960 0.003 0.000 0.216 436 G HA3 -0.002 3.959 3.960 0.003 0.000 0.216 436 G C 0.828 174.735 174.900 -1.655 0.000 1.126 436 G CA 0.053 43.692 45.100 -2.435 0.000 0.778 436 G HN 0.724 nan 8.290 nan 0.000 0.543 437 W N 0.513 121.455 121.300 -0.597 0.000 2.905 437 W HA 0.258 4.919 4.660 0.002 0.000 0.251 437 W C 1.728 178.134 176.519 -0.188 0.000 1.305 437 W CA -0.225 56.971 57.345 -0.248 0.000 1.465 437 W CB 0.352 29.755 29.460 -0.096 0.000 1.122 437 W HN 0.051 nan 8.180 nan 0.000 0.659 438 E N 1.100 121.236 120.200 -0.107 0.000 2.510 438 E HA -0.101 4.251 4.350 0.003 0.000 0.202 438 E C 1.742 178.257 176.600 -0.141 0.000 1.072 438 E CA 0.754 57.108 56.400 -0.076 0.000 0.883 438 E CB -0.411 29.223 29.700 -0.110 0.000 0.818 438 E HN 0.482 nan 8.360 nan 0.000 0.548 439 L N -0.456 120.610 121.223 -0.262 0.000 2.376 439 L HA -0.011 4.331 4.340 0.003 0.000 0.219 439 L C 2.302 179.048 176.870 -0.208 0.000 1.133 439 L CA 0.787 55.326 54.840 -0.502 0.000 0.816 439 L CB -0.357 40.993 42.059 -1.181 0.000 0.933 439 L HN 0.125 nan 8.230 nan 0.000 0.449 440 G N 0.074 108.887 108.800 0.021 0.000 2.479 440 G HA2 -0.229 3.733 3.960 0.003 0.000 0.220 440 G HA3 -0.229 3.733 3.960 0.003 0.000 0.220 440 G C 1.249 176.232 174.900 0.139 0.000 1.115 440 G CA 0.515 45.719 45.100 0.173 0.000 0.757 440 G HN 0.391 nan 8.290 nan 0.000 0.560 441 N N -0.292 118.453 118.700 0.074 0.000 2.398 441 N HA -0.006 4.736 4.740 0.003 0.000 0.188 441 N C 1.551 177.100 175.510 0.066 0.000 1.122 441 N CA 0.024 53.117 53.050 0.072 0.000 0.866 441 N CB -0.009 38.513 38.487 0.058 0.000 0.970 441 N HN 0.187 nan 8.380 nan 0.000 0.462 442 C N 0.852 120.208 119.300 0.094 0.000 2.432 442 C HA 0.011 4.473 4.460 0.003 0.000 0.280 442 C C 2.595 177.659 174.990 0.123 0.000 1.353 442 C CA 0.501 59.591 59.018 0.120 0.000 1.766 442 C CB -0.611 27.290 27.740 0.268 0.000 1.924 442 C HN 0.438 nan 8.230 nan 0.000 0.509 443 R N 0.310 120.892 120.500 0.136 0.000 2.055 443 R HA -0.041 4.301 4.340 0.003 0.000 0.228 443 R C 2.479 178.815 176.300 0.060 0.000 1.143 443 R CA 1.066 57.220 56.100 0.090 0.000 0.945 443 R CB -0.397 29.955 30.300 0.087 0.000 0.841 443 R HN 0.410 nan 8.270 nan 0.000 0.429 444 R N 0.699 121.237 120.500 0.063 0.000 2.096 444 R HA -0.063 4.279 4.340 0.003 0.000 0.235 444 R C 1.910 178.234 176.300 0.040 0.000 1.127 444 R CA 1.272 57.404 56.100 0.054 0.000 0.968 444 R CB -0.216 30.123 30.300 0.065 0.000 0.861 444 R HN 0.214 nan 8.270 nan 0.000 0.440 445 L N -0.355 120.880 121.223 0.020 0.000 2.478 445 L HA 0.093 4.434 4.340 0.003 0.000 0.223 445 L C 0.969 177.810 176.870 -0.048 0.000 1.140 445 L CA 0.535 55.348 54.840 -0.045 0.000 0.842 445 L CB -0.163 41.838 42.059 -0.096 0.000 0.953 445 L HN 0.470 nan 8.230 nan 0.000 0.452 446 G N 2.123 110.920 108.800 -0.005 0.000 2.333 446 G HA2 -0.275 3.686 3.960 0.003 0.000 0.296 446 G HA3 -0.275 3.686 3.960 0.003 0.000 0.296 446 G C -0.064 174.828 174.900 -0.014 0.000 1.059 446 G CA 0.679 45.778 45.100 -0.002 0.000 1.050 446 G HN 0.528 nan 8.290 nan 0.000 0.508 447 I N -3.102 117.465 120.570 -0.004 0.000 2.894 447 I HA 0.787 4.958 4.170 0.003 0.000 0.302 447 I C -1.073 175.061 176.117 0.029 0.000 1.188 447 I CA -1.332 59.962 61.300 -0.011 0.000 1.014 447 I CB 2.722 40.694 38.000 -0.046 0.000 1.242 447 I HN 0.062 nan 8.210 nan 0.000 0.430 448 D N 3.102 123.513 120.400 0.018 0.000 2.552 448 D HA 0.332 4.973 4.640 0.003 0.000 0.285 448 D C -2.940 173.370 176.300 0.017 0.000 1.206 448 D CA -1.428 52.603 54.000 0.053 0.000 0.826 448 D CB 1.119 41.929 40.800 0.016 0.000 1.179 448 D HN 0.348 nan 8.370 nan 0.000 0.508 449 P HA 0.240 nan 4.420 nan 0.000 0.271 449 P C 0.234 177.523 177.300 -0.019 0.000 1.218 449 P CA -0.407 62.672 63.100 -0.036 0.000 0.780 449 P CB 1.634 33.296 31.700 -0.063 0.000 0.901 450 I N 2.438 122.953 120.570 -0.092 0.000 2.342 450 I HA 0.230 4.401 4.170 0.003 0.000 0.291 450 I C 0.230 176.317 176.117 -0.049 0.000 1.010 450 I CA -0.798 60.446 61.300 -0.094 0.000 1.308 450 I CB 1.325 39.178 38.000 -0.245 0.000 1.400 450 I HN 0.021 nan 8.210 nan 0.000 0.488 451 V N 7.628 127.539 119.914 -0.005 0.000 2.555 451 V HA 0.438 4.559 4.120 0.003 0.000 0.302 451 V C 0.047 176.137 176.094 -0.006 0.000 1.038 451 V CA -0.528 61.763 62.300 -0.016 0.000 0.887 451 V CB 2.244 34.060 31.823 -0.013 0.000 0.991 451 V HN 0.488 nan 8.190 nan 0.000 0.434 452 I N 5.231 125.808 120.570 0.013 0.000 2.460 452 I HA 0.327 4.498 4.170 0.003 0.000 0.277 452 I C -0.255 175.951 176.117 0.149 0.000 1.057 452 I CA -0.284 61.078 61.300 0.103 0.000 1.179 452 I CB 1.183 39.325 38.000 0.237 0.000 1.329 452 I HN 0.411 nan 8.210 nan 0.000 0.478 453 L N 5.823 127.043 121.223 -0.004 0.000 2.462 453 L HA 0.195 4.537 4.340 0.003 0.000 0.272 453 L C -0.270 176.730 176.870 0.218 0.000 1.166 453 L CA 0.241 55.029 54.840 -0.086 0.000 0.880 453 L CB 0.420 42.214 42.059 -0.441 0.000 1.142 453 L HN 0.506 nan 8.230 nan 0.000 0.473 454 F N 3.681 123.548 119.950 -0.138 0.000 2.508 454 F HA 0.141 4.669 4.527 0.003 0.000 0.329 454 F C 0.872 176.649 175.800 -0.039 0.000 1.198 454 F CA -0.726 57.237 58.000 -0.062 0.000 1.268 454 F CB 0.087 39.068 39.000 -0.031 0.000 1.584 454 F HN 0.527 nan 8.300 nan 0.000 0.570 455 N N 2.438 121.206 118.700 0.112 0.000 2.434 455 N HA -0.072 4.670 4.740 0.003 0.000 0.273 455 N C 0.269 175.842 175.510 0.105 0.000 1.210 455 N CA 0.122 53.251 53.050 0.131 0.000 0.992 455 N CB -0.023 38.584 38.487 0.200 0.000 1.355 455 N HN 0.474 nan 8.380 nan 0.000 0.495 456 N N 2.575 121.337 118.700 0.104 0.000 2.268 456 N HA 0.177 4.919 4.740 0.003 0.000 0.204 456 N C 0.667 176.217 175.510 0.066 0.000 1.124 456 N CA 0.180 53.274 53.050 0.072 0.000 0.838 456 N CB 0.473 39.004 38.487 0.073 0.000 0.994 456 N HN 0.310 nan 8.380 nan 0.000 0.489 457 A N -1.159 121.713 122.820 0.088 0.000 2.979 457 A HA -0.205 4.116 4.320 0.003 0.000 0.260 457 A C 0.673 178.267 177.584 0.016 0.000 1.282 457 A CA 1.112 53.194 52.037 0.074 0.000 0.971 457 A CB -2.283 16.753 19.000 0.060 0.000 1.124 457 A HN 1.087 nan 8.150 nan 0.000 0.826 458 S N -3.296 112.408 115.700 0.006 0.000 2.672 458 S HA 0.646 5.118 4.470 0.003 0.000 0.271 458 S C -0.915 173.710 174.600 0.042 0.000 1.171 458 S CA -0.374 57.799 58.200 -0.045 0.000 0.817 458 S CB 0.620 63.828 63.200 0.014 0.000 1.150 458 S HN 0.999 nan 8.310 nan 0.000 0.478 459 W N 2.048 123.398 121.300 0.083 0.000 1.828 459 W HA 0.436 5.097 4.660 0.003 0.000 0.369 459 W C 1.118 177.656 176.519 0.032 0.000 0.764 459 W CA -0.722 56.661 57.345 0.063 0.000 1.660 459 W CB 0.268 29.782 29.460 0.090 0.000 1.843 459 W HN 1.008 nan 8.180 nan 0.000 0.286 460 E N 1.589 121.904 120.200 0.193 0.000 2.085 460 E HA -0.235 4.117 4.350 0.003 0.000 0.194 460 E C 2.091 178.677 176.600 -0.024 0.000 0.994 460 E CA 1.635 58.080 56.400 0.075 0.000 0.801 460 E CB -0.133 29.602 29.700 0.059 0.000 0.743 460 E HN 0.336 nan 8.360 nan 0.000 0.453 461 M N -0.584 118.999 119.600 -0.029 0.000 2.159 461 M HA -0.142 4.340 4.480 0.003 0.000 0.263 461 M C 1.886 177.971 176.300 -0.358 0.000 1.063 461 M CA 1.159 56.336 55.300 -0.205 0.000 1.110 461 M CB -0.037 32.513 32.600 -0.084 0.000 1.374 461 M HN 0.200 nan 8.290 nan 0.000 0.411 462 L N -1.184 119.991 121.223 -0.080 0.000 2.179 462 L HA -0.155 4.186 4.340 0.003 0.000 0.208 462 L C 2.574 179.467 176.870 0.038 0.000 1.096 462 L CA 0.735 55.592 54.840 0.027 0.000 0.779 462 L CB -0.578 41.592 42.059 0.184 0.000 0.922 462 L HN 0.320 nan 8.230 nan 0.000 0.443 463 R N 0.310 120.826 120.500 0.026 0.000 2.092 463 R HA -0.161 4.181 4.340 0.003 0.000 0.231 463 R C 2.330 178.599 176.300 -0.051 0.000 1.119 463 R CA 1.892 58.002 56.100 0.016 0.000 0.970 463 R CB -0.261 30.054 30.300 0.025 0.000 0.864 463 R HN 0.430 nan 8.270 nan 0.000 0.440 464 T N -1.902 112.541 114.554 -0.186 0.000 2.881 464 T HA -0.115 4.237 4.350 0.003 0.000 0.270 464 T C 1.673 176.369 174.700 -0.008 0.000 1.068 464 T CA 1.183 63.175 62.100 -0.182 0.000 1.131 464 T CB -0.442 68.221 68.868 -0.343 0.000 0.871 464 T HN 0.356 nan 8.240 nan 0.000 0.479 465 F N 0.756 120.721 119.950 0.025 0.000 2.743 465 F HA 0.345 4.873 4.527 0.003 0.000 0.297 465 F C 1.920 177.731 175.800 0.018 0.000 1.131 465 F CA -0.423 57.585 58.000 0.014 0.000 1.426 465 F CB 0.305 39.319 39.000 0.023 0.000 1.116 465 F HN 0.222 nan 8.300 nan 0.000 0.583 466 Q N 0.754 120.658 119.800 0.174 0.000 3.576 466 Q HA 0.120 4.462 4.340 0.003 0.000 0.249 466 Q C -2.170 173.830 176.000 0.000 0.000 0.771 466 Q CA -1.126 54.729 55.803 0.087 0.000 0.897 466 Q CB 0.931 29.740 28.738 0.120 0.000 1.551 466 Q HN -0.071 nan 8.270 nan 0.000 0.388 467 P HA -0.203 nan 4.420 nan 0.000 0.222 467 P C 0.810 178.075 177.300 -0.058 0.000 1.147 467 P CA 1.084 64.166 63.100 -0.029 0.000 0.790 467 P CB 0.313 32.007 31.700 -0.010 0.000 0.780 468 E N -0.142 120.023 120.200 -0.059 0.000 2.347 468 E HA -0.015 4.337 4.350 0.003 0.000 0.196 468 E C 0.388 176.910 176.600 -0.130 0.000 1.008 468 E CA 0.343 56.702 56.400 -0.069 0.000 0.852 468 E CB -0.509 29.165 29.700 -0.044 0.000 0.783 468 E HN 0.041 nan 8.360 nan 0.000 0.505 469 S N 0.300 115.869 115.700 -0.220 0.000 2.523 469 S HA 0.426 4.898 4.470 0.003 0.000 0.275 469 S C 0.666 175.000 174.600 -0.443 0.000 1.281 469 S CA 0.092 58.015 58.200 -0.462 0.000 1.050 469 S CB 1.523 64.197 63.200 -0.877 0.000 0.937 469 S HN 0.422 nan 8.310 nan 0.000 0.492 470 A N 3.964 126.560 122.820 -0.373 0.000 1.911 470 A HA 0.096 4.418 4.320 0.003 0.000 0.212 470 A C 1.587 179.108 177.584 -0.105 0.000 1.189 470 A CA 0.714 52.642 52.037 -0.181 0.000 0.639 470 A CB -0.720 18.236 19.000 -0.074 0.000 0.839 470 A HN 0.918 nan 8.150 nan 0.000 0.449 471 F N 1.147 121.144 119.950 0.078 0.000 2.304 471 F HA -0.220 4.309 4.527 0.003 0.000 0.301 471 F C 1.104 176.975 175.800 0.119 0.000 1.052 471 F CA 1.009 59.072 58.000 0.105 0.000 1.389 471 F CB -1.842 37.251 39.000 0.155 0.000 1.081 471 F HN 0.287 nan 8.300 nan 0.000 0.538 472 N N -0.090 118.852 118.700 0.403 0.000 2.461 472 N HA -0.056 4.686 4.740 0.003 0.000 0.188 472 N C -0.542 175.013 175.510 0.075 0.000 1.134 472 N CA 0.027 53.307 53.050 0.384 0.000 0.878 472 N CB -0.075 38.614 38.487 0.336 0.000 0.972 472 N HN 0.271 nan 8.380 nan 0.000 0.456 473 D N 1.262 121.673 120.400 0.019 0.000 2.249 473 D HA 0.230 4.872 4.640 0.003 0.000 0.246 473 D C 0.179 176.425 176.300 -0.089 0.000 1.114 473 D CA 0.106 54.088 54.000 -0.030 0.000 0.854 473 D CB 1.946 42.740 40.800 -0.010 0.000 1.132 473 D HN 0.053 nan 8.370 nan 0.000 0.461 474 L N 1.154 122.313 121.223 -0.107 0.000 2.347 474 L HA 0.397 4.739 4.340 0.003 0.000 0.268 474 L C 0.372 177.264 176.870 0.036 0.000 1.019 474 L CA -1.052 53.734 54.840 -0.090 0.000 0.806 474 L CB 0.961 42.926 42.059 -0.156 0.000 1.339 474 L HN 0.126 nan 8.230 nan 0.000 0.463 475 D N -0.831 119.654 120.400 0.142 0.000 2.432 475 D HA 0.161 4.803 4.640 0.003 0.000 0.258 475 D C -0.862 175.563 176.300 0.209 0.000 1.146 475 D CA -0.131 53.932 54.000 0.105 0.000 1.015 475 D CB 0.900 41.686 40.800 -0.022 0.000 1.107 475 D HN 0.389 nan 8.370 nan 0.000 0.529 476 D N 0.291 120.740 120.400 0.082 0.000 2.500 476 D HA 0.137 4.779 4.640 0.003 0.000 0.219 476 D C -0.800 175.521 176.300 0.036 0.000 1.137 476 D CA -0.597 53.461 54.000 0.096 0.000 0.946 476 D CB -0.006 40.812 40.800 0.031 0.000 1.022 476 D HN 0.125 nan 8.370 nan 0.000 0.518 477 W N 2.966 124.108 121.300 -0.263 0.000 2.446 477 W HA 0.251 4.913 4.660 0.003 0.000 0.316 477 W C 0.791 176.910 176.519 -0.666 0.000 1.376 477 W CA -0.814 56.189 57.345 -0.569 0.000 1.300 477 W CB 0.348 29.183 29.460 -1.041 0.000 1.351 477 W HN 0.222 nan 8.180 nan 0.000 0.530 478 R N 3.513 123.901 120.500 -0.186 0.000 4.886 478 R HA 0.099 4.440 4.340 0.003 0.000 0.181 478 R C 0.942 177.250 176.300 0.013 0.000 1.989 478 R CA -0.158 55.903 56.100 -0.065 0.000 1.623 478 R CB -1.354 28.933 30.300 -0.021 0.000 1.383 478 R HN 0.395 nan 8.270 nan 0.000 0.847 479 F N 0.261 120.330 119.950 0.198 0.000 2.063 479 F HA -0.346 4.183 4.527 0.003 0.000 0.298 479 F C 2.418 178.283 175.800 0.108 0.000 1.109 479 F CA 1.799 59.891 58.000 0.154 0.000 1.212 479 F CB -0.882 38.059 39.000 -0.098 0.000 0.973 479 F HN 0.387 nan 8.300 nan 0.000 0.480 480 A N -0.139 122.825 122.820 0.240 0.000 1.958 480 A HA -0.245 4.077 4.320 0.003 0.000 0.221 480 A C 1.891 179.560 177.584 0.142 0.000 1.178 480 A CA 2.289 54.416 52.037 0.150 0.000 0.642 480 A CB -0.912 18.146 19.000 0.098 0.000 0.816 480 A HN 0.430 nan 8.150 nan 0.000 0.453 481 D N -1.112 119.368 120.400 0.132 0.000 2.347 481 D HA 0.035 4.677 4.640 0.003 0.000 0.215 481 D C 1.675 178.061 176.300 0.143 0.000 0.976 481 D CA 0.718 54.782 54.000 0.106 0.000 0.884 481 D CB -0.059 40.782 40.800 0.068 0.000 0.915 481 D HN 0.545 nan 8.370 nan 0.000 0.526 482 M N -0.006 119.729 119.600 0.225 0.000 2.492 482 M HA 0.134 4.616 4.480 0.003 0.000 0.255 482 M C 2.058 178.562 176.300 0.341 0.000 1.139 482 M CA 0.053 55.531 55.300 0.296 0.000 1.096 482 M CB 0.400 33.272 32.600 0.452 0.000 1.360 482 M HN -0.111 nan 8.290 nan 0.000 0.480 483 A N 0.727 123.742 122.820 0.325 0.000 2.125 483 A HA 0.004 4.326 4.320 0.003 0.000 0.219 483 A C 2.288 179.993 177.584 0.202 0.000 1.156 483 A CA 1.735 53.984 52.037 0.354 0.000 0.671 483 A CB -0.558 18.613 19.000 0.286 0.000 0.794 483 A HN 0.476 nan 8.150 nan 0.000 0.459 484 A N -0.444 122.457 122.820 0.135 0.000 1.929 484 A HA 0.224 4.546 4.320 0.003 0.000 0.216 484 A C 2.372 180.013 177.584 0.096 0.000 1.176 484 A CA 1.573 53.649 52.037 0.066 0.000 0.628 484 A CB -1.250 17.780 19.000 0.051 0.000 0.816 484 A HN 0.661 nan 8.150 nan 0.000 0.444 485 G N 0.064 108.949 108.800 0.142 0.000 2.446 485 G HA2 -0.253 3.708 3.960 0.003 0.000 0.217 485 G HA3 -0.253 3.708 3.960 0.003 0.000 0.217 485 G C 1.496 176.497 174.900 0.168 0.000 1.168 485 G CA 1.294 46.476 45.100 0.137 0.000 0.771 485 G HN 0.516 nan 8.290 nan 0.000 0.551 486 M N 0.579 120.339 119.600 0.267 0.000 2.659 486 M HA 0.271 4.752 4.480 0.003 0.000 0.243 486 M C 1.357 177.852 176.300 0.325 0.000 1.111 486 M CA 0.634 56.134 55.300 0.333 0.000 1.070 486 M CB 0.266 33.157 32.600 0.484 0.000 1.525 486 M HN 0.284 nan 8.290 nan 0.000 0.517 487 G N 1.206 110.100 108.800 0.156 0.000 2.401 487 G HA2 -0.037 3.925 3.960 0.003 0.000 0.283 487 G HA3 -0.037 3.925 3.960 0.003 0.000 0.283 487 G C -0.148 174.557 174.900 -0.325 0.000 1.117 487 G CA -0.200 44.900 45.100 -0.001 0.000 1.051 487 G HN 0.667 nan 8.290 nan 0.000 0.510 488 G N -0.986 107.465 108.800 -0.582 0.000 3.086 488 G HA2 0.696 4.658 3.960 0.003 0.000 0.282 488 G HA3 0.696 4.658 3.960 0.003 0.000 0.282 488 G C -1.599 172.992 174.900 -0.515 0.000 1.343 488 G CA -0.458 43.895 45.100 -1.246 0.000 0.895 488 G HN 0.156 nan 8.290 nan 0.000 0.557 489 D N 0.248 120.403 120.400 -0.409 0.000 2.454 489 D HA 0.476 5.117 4.640 0.003 0.000 0.247 489 D C 0.185 176.449 176.300 -0.061 0.000 1.129 489 D CA -0.071 53.832 54.000 -0.161 0.000 0.877 489 D CB 1.353 42.079 40.800 -0.124 0.000 1.082 489 D HN 0.570 nan 8.370 nan 0.000 0.537 490 G N 0.115 108.916 108.800 0.001 0.000 2.412 490 G HA2 0.529 4.490 3.960 0.003 0.000 0.318 490 G HA3 0.529 4.490 3.960 0.003 0.000 0.318 490 G C -0.642 174.282 174.900 0.040 0.000 1.146 490 G CA -0.671 44.462 45.100 0.056 0.000 0.882 490 G HN 0.306 nan 8.290 nan 0.000 0.501 491 V N 2.724 122.663 119.914 0.042 0.000 2.674 491 V HA 0.502 4.624 4.120 0.003 0.000 0.279 491 V C -0.236 175.877 176.094 0.032 0.000 1.051 491 V CA -0.996 61.323 62.300 0.032 0.000 0.912 491 V CB 1.015 32.850 31.823 0.021 0.000 1.044 491 V HN 0.944 nan 8.190 nan 0.000 0.464 492 R N 5.322 125.845 120.500 0.038 0.000 2.347 492 R HA 0.674 5.015 4.340 0.003 0.000 0.304 492 R C -0.616 175.696 176.300 0.020 0.000 1.072 492 R CA 0.173 56.295 56.100 0.036 0.000 0.980 492 R CB 1.459 31.788 30.300 0.048 0.000 0.986 492 R HN 0.954 nan 8.270 nan 0.000 0.448 493 V N 2.771 122.690 119.914 0.010 0.000 2.628 493 V HA 0.535 4.657 4.120 0.003 0.000 0.306 493 V C 0.384 176.473 176.094 -0.008 0.000 1.045 493 V CA -0.867 61.433 62.300 -0.001 0.000 0.905 493 V CB 2.051 33.869 31.823 -0.008 0.000 0.997 493 V HN 0.864 nan 8.190 nan 0.000 0.436 494 R N 1.612 122.108 120.500 -0.008 0.000 2.257 494 R HA 0.232 4.573 4.340 0.003 0.000 0.195 494 R C 0.884 177.173 176.300 -0.018 0.000 0.921 494 R CA 1.098 57.191 56.100 -0.011 0.000 1.069 494 R CB 0.642 30.939 30.300 -0.004 0.000 1.115 494 R HN 0.932 nan 8.270 nan 0.000 0.571 495 T N -2.126 112.418 114.554 -0.015 0.000 2.942 495 T HA 0.367 4.719 4.350 0.003 0.000 0.289 495 T C 0.897 175.585 174.700 -0.020 0.000 1.044 495 T CA -0.820 61.270 62.100 -0.017 0.000 1.023 495 T CB 2.399 71.260 68.868 -0.011 0.000 1.123 495 T HN -0.033 nan 8.240 nan 0.000 0.512 496 R N 0.571 121.059 120.500 -0.021 0.000 2.241 496 R HA 0.014 4.355 4.340 0.003 0.000 0.224 496 R C 2.314 178.607 176.300 -0.013 0.000 1.101 496 R CA 1.089 57.176 56.100 -0.020 0.000 0.995 496 R CB -0.655 29.634 30.300 -0.018 0.000 0.870 496 R HN 0.756 nan 8.270 nan 0.000 0.463 497 A N 1.713 124.527 122.820 -0.009 0.000 1.861 497 A HA -0.109 4.213 4.320 0.003 0.000 0.212 497 A C 1.799 179.382 177.584 -0.002 0.000 1.199 497 A CA 0.734 52.768 52.037 -0.004 0.000 0.613 497 A CB -0.151 18.847 19.000 -0.003 0.000 0.846 497 A HN 0.258 nan 8.150 nan 0.000 0.446 498 E N -0.410 119.788 120.200 -0.003 0.000 2.333 498 E HA -0.160 4.191 4.350 0.003 0.000 0.198 498 E C 1.722 178.323 176.600 0.001 0.000 1.007 498 E CA 0.923 57.324 56.400 0.000 0.000 0.845 498 E CB -0.207 29.493 29.700 -0.001 0.000 0.766 498 E HN 0.507 nan 8.360 nan 0.000 0.507 499 L N 1.350 122.570 121.223 -0.005 0.000 2.022 499 L HA -0.073 4.269 4.340 0.003 0.000 0.204 499 L C 2.150 179.025 176.870 0.007 0.000 1.076 499 L CA 1.715 56.551 54.840 -0.006 0.000 0.749 499 L CB -0.336 41.710 42.059 -0.022 0.000 0.903 499 L HN -0.194 nan 8.230 nan 0.000 0.439 500 K N 0.190 120.593 120.400 0.004 0.000 2.063 500 K HA -0.144 4.178 4.320 0.003 0.000 0.208 500 K C 1.960 178.571 176.600 0.018 0.000 1.048 500 K CA 1.605 57.898 56.287 0.010 0.000 0.928 500 K CB -0.536 31.965 32.500 0.001 0.000 0.713 500 K HN 0.482 nan 8.250 nan 0.000 0.442 501 A N 0.941 123.769 122.820 0.014 0.000 1.865 501 A HA -0.141 4.181 4.320 0.003 0.000 0.217 501 A C 2.421 180.023 177.584 0.030 0.000 1.191 501 A CA 2.539 54.587 52.037 0.018 0.000 0.623 501 A CB -0.896 18.111 19.000 0.012 0.000 0.826 501 A HN 0.420 nan 8.150 nan 0.000 0.444 502 A N -0.698 122.140 122.820 0.029 0.000 1.883 502 A HA -0.094 4.228 4.320 0.003 0.000 0.217 502 A C 2.170 179.790 177.584 0.061 0.000 1.186 502 A CA 1.848 53.906 52.037 0.036 0.000 0.624 502 A CB -0.718 18.298 19.000 0.027 0.000 0.822 502 A HN 0.622 nan 8.150 nan 0.000 0.444 503 L N 0.313 121.583 121.223 0.078 0.000 1.989 503 L HA -0.226 4.115 4.340 0.003 0.000 0.211 503 L C 1.959 178.955 176.870 0.209 0.000 1.071 503 L CA 2.568 57.495 54.840 0.144 0.000 0.749 503 L CB -0.669 41.474 42.059 0.140 0.000 0.890 503 L HN 0.426 nan 8.230 nan 0.000 0.431 504 D N -0.058 120.419 120.400 0.129 0.000 2.126 504 D HA -0.292 4.350 4.640 0.003 0.000 0.190 504 D C 2.244 178.629 176.300 0.142 0.000 1.001 504 D CA 2.244 56.313 54.000 0.114 0.000 0.841 504 D CB -0.222 40.605 40.800 0.047 0.000 0.949 504 D HN 0.482 nan 8.370 nan 0.000 0.446 505 K N 1.446 121.902 120.400 0.093 0.000 2.015 505 K HA -0.130 4.192 4.320 0.003 0.000 0.216 505 K C 2.333 178.979 176.600 0.078 0.000 1.052 505 K CA 2.202 58.531 56.287 0.069 0.000 0.937 505 K CB -1.374 31.151 32.500 0.042 0.000 0.719 505 K HN 0.252 nan 8.250 nan 0.000 0.446 506 A N -0.219 122.646 122.820 0.076 0.000 1.958 506 A HA -0.034 4.288 4.320 0.003 0.000 0.221 506 A C 2.273 179.836 177.584 -0.034 0.000 1.178 506 A CA 1.851 53.894 52.037 0.010 0.000 0.642 506 A CB -0.632 18.359 19.000 -0.015 0.000 0.816 506 A HN 0.576 nan 8.150 nan 0.000 0.453 507 F N -0.509 119.445 119.950 0.006 0.000 2.407 507 F HA 0.061 4.590 4.527 0.003 0.000 0.299 507 F C 2.566 178.368 175.800 0.004 0.000 1.097 507 F CA 0.793 58.796 58.000 0.006 0.000 1.422 507 F CB -0.023 38.978 39.000 0.003 0.000 1.067 507 F HN 0.281 nan 8.300 nan 0.000 0.539 508 A N -1.036 121.879 122.820 0.158 0.000 1.903 508 A HA -0.002 4.320 4.320 0.003 0.000 0.213 508 A C 1.276 178.885 177.584 0.043 0.000 1.185 508 A CA 0.859 52.950 52.037 0.090 0.000 0.628 508 A CB -0.917 18.125 19.000 0.070 0.000 0.830 508 A HN 0.118 nan 8.150 nan 0.000 0.446 509 T N 2.606 117.173 114.554 0.021 0.000 2.738 509 T HA 0.395 4.746 4.350 0.003 0.000 0.293 509 T C 0.013 174.697 174.700 -0.025 0.000 0.913 509 T CA 0.068 62.164 62.100 -0.008 0.000 1.103 509 T CB 0.077 68.933 68.868 -0.021 0.000 0.880 509 T HN 0.305 nan 8.240 nan 0.000 0.526 510 R N 1.482 121.971 120.500 -0.019 0.000 2.803 510 R HA 0.641 4.982 4.340 0.003 0.000 0.276 510 R C 1.030 177.317 176.300 -0.022 0.000 0.978 510 R CA -0.588 55.498 56.100 -0.022 0.000 0.939 510 R CB 1.931 32.226 30.300 -0.009 0.000 1.179 510 R HN 0.813 nan 8.270 nan 0.000 0.472 511 G N 1.210 109.999 108.800 -0.019 0.000 2.284 511 G HA2 -0.225 3.737 3.960 0.003 0.000 0.216 511 G HA3 -0.225 3.737 3.960 0.003 0.000 0.216 511 G C -0.019 174.868 174.900 -0.022 0.000 1.009 511 G CA -0.428 44.663 45.100 -0.015 0.000 0.625 511 G HN 0.462 nan 8.290 nan 0.000 0.501 512 R N 0.273 120.741 120.500 -0.053 0.000 2.599 512 R HA 0.572 4.914 4.340 0.003 0.000 0.295 512 R C 0.054 176.290 176.300 -0.107 0.000 0.963 512 R CA -0.705 55.321 56.100 -0.124 0.000 0.883 512 R CB 1.273 31.458 30.300 -0.192 0.000 1.171 512 R HN 0.406 nan 8.270 nan 0.000 0.450 513 F N 0.521 120.464 119.950 -0.011 0.000 2.529 513 F HA 0.158 4.687 4.527 0.003 0.000 0.365 513 F C -0.079 175.708 175.800 -0.020 0.000 1.102 513 F CA -0.669 57.317 58.000 -0.023 0.000 1.271 513 F CB 0.488 39.484 39.000 -0.008 0.000 1.120 513 F HN 0.119 nan 8.300 nan 0.000 0.579 514 Q N 4.875 124.764 119.800 0.148 0.000 2.331 514 Q HA 0.400 4.742 4.340 0.003 0.000 0.257 514 Q C -1.160 174.929 176.000 0.148 0.000 0.957 514 Q CA -0.674 55.168 55.803 0.065 0.000 0.923 514 Q CB 1.923 30.649 28.738 -0.021 0.000 1.212 514 Q HN 0.859 nan 8.270 nan 0.000 0.443 515 L N 4.554 125.870 121.223 0.156 0.000 2.318 515 L HA 0.464 4.806 4.340 0.003 0.000 0.277 515 L C -0.975 175.919 176.870 0.039 0.000 1.008 515 L CA -0.149 54.763 54.840 0.119 0.000 0.846 515 L CB 0.741 42.920 42.059 0.201 0.000 1.220 515 L HN 0.535 nan 8.230 nan 0.000 0.423 516 I N 4.616 125.193 120.570 0.013 0.000 2.282 516 I HA 0.224 4.395 4.170 0.003 0.000 0.290 516 I C 0.319 176.430 176.117 -0.010 0.000 1.090 516 I CA -0.339 60.968 61.300 0.011 0.000 1.231 516 I CB 0.835 38.849 38.000 0.024 0.000 1.434 516 I HN 0.641 nan 8.210 nan 0.000 0.487 517 E N 6.244 126.439 120.200 -0.008 0.000 2.081 517 E HA 0.291 4.643 4.350 0.003 0.000 0.270 517 E C -0.118 176.482 176.600 0.001 0.000 1.180 517 E CA -0.474 55.923 56.400 -0.006 0.000 0.926 517 E CB 0.610 30.343 29.700 0.056 0.000 1.035 517 E HN 0.704 nan 8.360 nan 0.000 0.418 518 A N 6.681 129.488 122.820 -0.022 0.000 2.350 518 A HA 0.257 4.579 4.320 0.003 0.000 0.293 518 A C -0.116 177.431 177.584 -0.062 0.000 1.231 518 A CA -0.572 51.420 52.037 -0.075 0.000 0.883 518 A CB 0.214 19.096 19.000 -0.196 0.000 1.133 518 A HN 0.643 nan 8.150 nan 0.000 0.533 519 M N 3.911 123.488 119.600 -0.038 0.000 2.193 519 M HA 0.341 4.823 4.480 0.003 0.000 0.342 519 M C -0.377 175.897 176.300 -0.043 0.000 1.413 519 M CA 0.224 55.515 55.300 -0.016 0.000 1.191 519 M CB -0.670 31.932 32.600 0.003 0.000 1.633 519 M HN 0.481 nan 8.290 nan 0.000 0.458 520 I N 5.486 126.033 120.570 -0.039 0.000 2.693 520 I HA 0.521 4.693 4.170 0.003 0.000 0.303 520 I C -2.198 173.912 176.117 -0.013 0.000 1.025 520 I CA -1.997 59.273 61.300 -0.049 0.000 1.086 520 I CB 2.522 40.471 38.000 -0.085 0.000 1.268 520 I HN 0.384 nan 8.210 nan 0.000 0.440 521 P HA 0.417 nan 4.420 nan 0.000 0.293 521 P C -1.215 176.087 177.300 0.004 0.000 1.291 521 P CA -0.905 62.194 63.100 -0.002 0.000 0.867 521 P CB 0.750 32.447 31.700 -0.006 0.000 1.074 522 R N 1.082 121.587 120.500 0.008 0.000 2.640 522 R HA 0.331 4.673 4.340 0.003 0.000 0.270 522 R C 1.384 177.686 176.300 0.002 0.000 1.024 522 R CA 1.461 57.567 56.100 0.009 0.000 1.085 522 R CB -0.556 29.750 30.300 0.008 0.000 0.963 522 R HN 0.887 nan 8.270 nan 0.000 0.426 523 G N 1.061 109.861 108.800 0.000 0.000 2.527 523 G HA2 -0.303 3.658 3.960 0.003 0.000 0.218 523 G HA3 -0.303 3.658 3.960 0.003 0.000 0.218 523 G C 0.005 174.903 174.900 -0.004 0.000 1.177 523 G CA -0.108 44.989 45.100 -0.005 0.000 0.695 523 G HN 0.477 nan 8.290 nan 0.000 0.517 524 V N 3.442 123.355 119.914 -0.002 0.000 2.434 524 V HA 0.468 4.590 4.120 0.003 0.000 0.281 524 V C 1.189 177.286 176.094 0.005 0.000 1.005 524 V CA 0.517 62.816 62.300 -0.002 0.000 1.089 524 V CB 0.215 32.032 31.823 -0.010 0.000 0.978 524 V HN 0.486 nan 8.190 nan 0.000 0.474 525 L N 3.746 124.974 121.223 0.009 0.000 2.558 525 L HA 0.696 5.038 4.340 0.003 0.000 0.260 525 L C 0.628 177.522 176.870 0.040 0.000 1.130 525 L CA -0.697 54.156 54.840 0.021 0.000 1.049 525 L CB 1.712 43.771 42.059 0.000 0.000 1.758 525 L HN 0.694 nan 8.230 nan 0.000 0.555 526 S N -2.352 113.384 115.700 0.060 0.000 2.593 526 S HA 0.241 4.712 4.470 0.003 0.000 0.297 526 S C 0.017 174.665 174.600 0.080 0.000 1.112 526 S CA -0.690 57.563 58.200 0.089 0.000 1.043 526 S CB 1.879 65.169 63.200 0.150 0.000 1.054 526 S HN 0.507 nan 8.310 nan 0.000 0.516 527 D N 2.074 122.525 120.400 0.085 0.000 2.106 527 D HA -0.083 4.558 4.640 0.003 0.000 0.191 527 D C 1.849 178.211 176.300 0.104 0.000 0.997 527 D CA 2.126 56.176 54.000 0.083 0.000 0.834 527 D CB -0.683 40.166 40.800 0.083 0.000 0.956 527 D HN 0.746 nan 8.370 nan 0.000 0.448 528 T N 0.455 115.091 114.554 0.137 0.000 2.788 528 T HA -0.128 4.223 4.350 0.003 0.000 0.268 528 T C 1.839 176.644 174.700 0.175 0.000 1.044 528 T CA 0.523 62.732 62.100 0.182 0.000 1.139 528 T CB -0.267 68.736 68.868 0.225 0.000 0.867 528 T HN 0.044 nan 8.240 nan 0.000 0.454 529 L N 1.102 122.376 121.223 0.085 0.000 2.217 529 L HA 0.247 4.589 4.340 0.003 0.000 0.211 529 L C 2.461 179.331 176.870 -0.001 0.000 1.107 529 L CA 1.149 55.902 54.840 -0.144 0.000 0.783 529 L CB -0.911 41.018 42.059 -0.215 0.000 0.919 529 L HN 0.200 nan 8.230 nan 0.000 0.442 530 A N -0.042 122.806 122.820 0.045 0.000 1.835 530 A HA -0.218 4.103 4.320 0.003 0.000 0.215 530 A C 2.382 180.013 177.584 0.079 0.000 1.199 530 A CA 1.801 53.868 52.037 0.050 0.000 0.615 530 A CB -0.623 18.405 19.000 0.048 0.000 0.838 530 A HN 0.442 nan 8.150 nan 0.000 0.444 531 R N -1.951 118.611 120.500 0.103 0.000 2.119 531 R HA -0.214 4.128 4.340 0.003 0.000 0.246 531 R C 1.991 178.381 176.300 0.150 0.000 1.146 531 R CA 1.794 57.963 56.100 0.115 0.000 0.962 531 R CB -0.658 29.722 30.300 0.135 0.000 0.863 531 R HN 0.577 nan 8.270 nan 0.000 0.442 532 F N 1.120 121.082 119.950 0.019 0.000 2.069 532 F HA -0.228 4.301 4.527 0.003 0.000 0.298 532 F C 2.192 178.001 175.800 0.016 0.000 1.113 532 F CA 1.380 59.390 58.000 0.017 0.000 1.214 532 F CB -0.484 38.482 39.000 -0.057 0.000 0.978 532 F HN -0.272 nan 8.300 nan 0.000 0.474 533 V N 0.226 120.161 119.914 0.034 0.000 2.237 533 V HA -0.342 3.780 4.120 0.003 0.000 0.245 533 V C 2.359 178.419 176.094 -0.057 0.000 1.046 533 V CA 2.135 64.432 62.300 -0.006 0.000 1.007 533 V CB -0.981 30.898 31.823 0.093 0.000 0.638 533 V HN 0.381 nan 8.190 nan 0.000 0.445 534 Q N 1.193 120.986 119.800 -0.013 0.000 2.290 534 Q HA -0.201 4.141 4.340 0.003 0.000 0.211 534 Q C 1.864 177.834 176.000 -0.050 0.000 0.991 534 Q CA 2.179 57.971 55.803 -0.017 0.000 0.893 534 Q CB -0.908 27.834 28.738 0.007 0.000 0.913 534 Q HN 0.623 nan 8.270 nan 0.000 0.428 535 G N -1.071 107.677 108.800 -0.085 0.000 2.920 535 G HA2 -0.107 3.855 3.960 0.003 0.000 0.208 535 G HA3 -0.107 3.855 3.960 0.003 0.000 0.208 535 G C 0.966 175.761 174.900 -0.176 0.000 1.159 535 G CA 0.048 45.082 45.100 -0.111 0.000 0.784 535 G HN 0.244 nan 8.290 nan 0.000 0.535 536 Q N -0.549 119.123 119.800 -0.214 0.000 2.319 536 Q HA 0.160 4.502 4.340 0.003 0.000 0.209 536 Q C 2.416 178.326 176.000 -0.150 0.000 0.884 536 Q CA 0.792 56.453 55.803 -0.236 0.000 0.938 536 Q CB 0.646 29.176 28.738 -0.347 0.000 1.098 536 Q HN 0.593 nan 8.270 nan 0.000 0.517 537 K N 0.970 121.308 120.400 -0.102 0.000 2.166 537 K HA 0.308 4.630 4.320 0.003 0.000 0.201 537 K C 1.265 177.831 176.600 -0.057 0.000 1.052 537 K CA 1.575 57.822 56.287 -0.067 0.000 0.969 537 K CB -0.074 32.401 32.500 -0.043 0.000 0.761 537 K HN 0.356 nan 8.250 nan 0.000 0.459 538 R N 0.000 120.466 120.500 -0.056 0.000 2.786 538 R HA 0.000 4.342 4.340 0.003 0.000 0.208 538 R CA 0.000 56.075 56.100 -0.042 0.000 0.921 538 R CB 0.000 30.283 30.300 -0.028 0.000 0.687 538 R HN 0.000 nan 8.270 nan 0.000 0.535