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 2z43_1_C DATA FIRST_RESID 12 DATA SEQUENCE KTINDLPGIS QTVINKLIEA GYSSLETLAV ASPQDLSVAA GIPLSTAQKI DATA SEQUENCE IKEARDALDI RFKTALEVKK ERMNVKKIST GSQALDGLLA GGIETRTMTE DATA SEQUENCE FFGEFGSGKT QLCHQLSVNV QLPPEKGGLS GKAVYIDTEG TFRWERIENM DATA SEQUENCE AKALGLDIDN VMNNIYYIRA INTDHQIAIV DDLQELVSKD PSIKLIVVDS DATA SEQUENCE VTSHFRAEYP GRENLAVRQQ KLNKHLHQLT RLAEVYDIAV IITNQVXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXP GIRIQLKKSR GNRRIARVVD APHLPEGEVV DATA SEQUENCE FALTEEGIRD AE 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 12 K HA 0.000 nan 4.320 nan 0.000 0.191 12 K C 0.000 176.605 176.600 0.009 0.000 0.988 12 K CA 0.000 56.291 56.287 0.007 0.000 0.838 12 K CB 0.000 32.504 32.500 0.006 0.000 1.064 13 T N 1.435 115.995 114.554 0.009 0.000 2.924 13 T HA 0.342 4.692 4.350 0.001 0.000 0.291 13 T C 1.248 175.956 174.700 0.013 0.000 1.045 13 T CA -0.749 61.358 62.100 0.012 0.000 1.015 13 T CB 1.895 70.769 68.868 0.010 0.000 1.103 13 T HN 0.243 nan 8.240 nan 0.000 0.496 14 I N -0.170 120.410 120.570 0.016 0.000 2.657 14 I HA -0.175 3.996 4.170 0.001 0.000 0.261 14 I C 1.529 177.653 176.117 0.011 0.000 1.212 14 I CA 1.233 62.543 61.300 0.016 0.000 1.453 14 I CB -0.498 37.515 38.000 0.022 0.000 1.092 14 I HN 0.396 nan 8.210 nan 0.000 0.452 15 N N 2.324 121.030 118.700 0.010 0.000 2.188 15 N HA -0.163 4.577 4.740 0.001 0.000 0.184 15 N C 1.198 176.711 175.510 0.006 0.000 1.018 15 N CA 1.822 54.876 53.050 0.007 0.000 0.858 15 N CB -0.437 38.054 38.487 0.007 0.000 0.989 15 N HN 0.523 nan 8.380 nan 0.000 0.426 16 D N 1.171 121.575 120.400 0.007 0.000 2.265 16 D HA -0.054 4.586 4.640 0.001 0.000 0.208 16 D C 0.565 176.868 176.300 0.005 0.000 0.977 16 D CA 0.316 54.319 54.000 0.006 0.000 0.871 16 D CB -0.238 40.566 40.800 0.006 0.000 0.925 16 D HN 0.257 nan 8.370 nan 0.000 0.485 17 L N 1.293 122.519 121.223 0.005 0.000 2.525 17 L HA 0.118 4.458 4.340 0.001 0.000 0.278 17 L C -1.940 174.932 176.870 0.002 0.000 1.218 17 L CA -1.539 53.303 54.840 0.004 0.000 0.878 17 L CB -0.145 41.916 42.059 0.003 0.000 1.127 17 L HN -0.229 nan 8.230 nan 0.000 0.492 18 P HA 0.014 nan 4.420 nan 0.000 0.261 18 P C 0.862 178.162 177.300 -0.001 0.000 1.203 18 P CA 0.768 63.869 63.100 0.001 0.000 0.767 18 P CB 0.767 32.468 31.700 0.001 0.000 0.785 19 G N 3.814 112.614 108.800 -0.000 0.000 2.284 19 G HA2 -0.371 3.589 3.960 0.001 0.000 0.268 19 G HA3 -0.371 3.589 3.960 0.001 0.000 0.268 19 G C 0.554 175.453 174.900 -0.002 0.000 0.980 19 G CA 0.119 45.218 45.100 -0.001 0.000 0.631 19 G HN 0.612 nan 8.290 nan 0.000 0.548 20 I N 1.353 121.921 120.570 -0.003 0.000 3.185 20 I HA 0.193 4.364 4.170 0.001 0.000 0.300 20 I C 0.543 176.658 176.117 -0.003 0.000 1.245 20 I CA 0.914 62.212 61.300 -0.004 0.000 1.413 20 I CB 0.420 38.418 38.000 -0.003 0.000 1.324 20 I HN 0.220 nan 8.210 nan 0.000 0.588 21 S N 4.525 120.223 115.700 -0.004 0.000 2.568 21 S HA 0.191 4.661 4.470 0.001 0.000 0.302 21 S C 0.232 174.831 174.600 -0.002 0.000 1.082 21 S CA -0.587 57.611 58.200 -0.003 0.000 1.009 21 S CB 1.802 64.999 63.200 -0.004 0.000 1.069 21 S HN 0.700 nan 8.310 nan 0.000 0.500 22 Q N 1.926 121.726 119.800 -0.001 0.000 2.112 22 Q HA -0.149 4.192 4.340 0.001 0.000 0.206 22 Q C 1.699 177.699 176.000 -0.000 0.000 0.987 22 Q CA 2.626 58.429 55.803 0.001 0.000 0.858 22 Q CB -1.121 27.618 28.738 0.001 0.000 0.905 22 Q HN 0.844 nan 8.270 nan 0.000 0.420 23 T N -0.324 114.229 114.554 -0.002 0.000 2.624 23 T HA -0.186 4.165 4.350 0.001 0.000 0.268 23 T C 1.797 176.494 174.700 -0.005 0.000 1.041 23 T CA 1.884 63.982 62.100 -0.003 0.000 1.159 23 T CB -0.695 68.170 68.868 -0.004 0.000 0.863 23 T HN 0.147 nan 8.240 nan 0.000 0.434 24 V N 1.168 121.077 119.914 -0.008 0.000 2.358 24 V HA -0.108 4.012 4.120 0.001 0.000 0.246 24 V C 2.455 178.544 176.094 -0.009 0.000 1.047 24 V CA 1.323 63.615 62.300 -0.013 0.000 1.035 24 V CB -0.688 31.125 31.823 -0.016 0.000 0.658 24 V HN 0.458 nan 8.190 nan 0.000 0.452 25 I N 0.710 121.278 120.570 -0.003 0.000 2.151 25 I HA -0.347 3.824 4.170 0.001 0.000 0.243 25 I C 2.228 178.350 176.117 0.008 0.000 1.080 25 I CA 2.302 63.604 61.300 0.004 0.000 1.339 25 I CB -0.623 37.381 38.000 0.006 0.000 1.039 25 I HN 0.458 nan 8.210 nan 0.000 0.409 26 N N 0.602 119.306 118.700 0.006 0.000 2.084 26 N HA -0.200 4.540 4.740 0.001 0.000 0.190 26 N C 1.729 177.245 175.510 0.010 0.000 1.030 26 N CA 1.161 54.216 53.050 0.009 0.000 0.849 26 N CB -0.090 38.400 38.487 0.005 0.000 1.012 26 N HN 0.361 nan 8.380 nan 0.000 0.423 27 K N 0.943 121.344 120.400 0.002 0.000 2.057 27 K HA -0.094 4.227 4.320 0.001 0.000 0.207 27 K C 2.016 178.619 176.600 0.005 0.000 1.049 27 K CA 0.854 57.141 56.287 -0.001 0.000 0.931 27 K CB -0.264 32.227 32.500 -0.016 0.000 0.714 27 K HN 0.184 nan 8.250 nan 0.000 0.440 28 L N 1.107 122.330 121.223 0.001 0.000 1.943 28 L HA -0.234 4.107 4.340 0.001 0.000 0.215 28 L C 2.532 179.453 176.870 0.085 0.000 1.074 28 L CA 1.463 56.315 54.840 0.020 0.000 0.759 28 L CB -0.700 41.370 42.059 0.019 0.000 0.888 28 L HN 0.155 nan 8.230 nan 0.000 0.433 29 I N 0.084 120.693 120.570 0.064 0.000 2.087 29 I HA -0.337 3.833 4.170 0.001 0.000 0.240 29 I C 1.746 177.902 176.117 0.064 0.000 1.054 29 I CA 1.618 62.956 61.300 0.063 0.000 1.311 29 I CB -0.552 37.471 38.000 0.038 0.000 1.024 29 I HN 0.342 nan 8.210 nan 0.000 0.402 30 E N 0.659 120.887 120.200 0.048 0.000 2.428 30 E HA 0.050 4.400 4.350 0.001 0.000 0.199 30 E C 1.069 177.705 176.600 0.060 0.000 1.172 30 E CA 0.395 56.821 56.400 0.042 0.000 0.941 30 E CB -0.001 29.715 29.700 0.027 0.000 1.001 30 E HN 0.545 nan 8.360 nan 0.000 0.501 31 A N -0.480 122.402 122.820 0.103 0.000 2.474 31 A HA 0.463 4.783 4.320 0.001 0.000 0.221 31 A C 1.457 179.202 177.584 0.269 0.000 1.298 31 A CA 0.280 52.414 52.037 0.162 0.000 1.008 31 A CB 0.606 19.686 19.000 0.133 0.000 1.217 31 A HN 0.283 nan 8.150 nan 0.000 0.553 32 G N -1.519 107.399 108.800 0.196 0.000 2.148 32 G HA2 -0.204 3.756 3.960 0.001 0.000 0.203 32 G HA3 -0.204 3.756 3.960 0.001 0.000 0.203 32 G C -0.327 174.520 174.900 -0.089 0.000 0.993 32 G CA 0.225 45.346 45.100 0.035 0.000 0.661 32 G HN 0.532 nan 8.290 nan 0.000 0.518 33 Y N 0.643 120.942 120.300 -0.002 0.000 2.584 33 Y HA 0.644 5.195 4.550 0.001 0.000 0.358 33 Y C 0.992 176.891 175.900 -0.002 0.000 1.028 33 Y CA -0.513 57.586 58.100 -0.002 0.000 1.148 33 Y CB 1.239 39.698 38.460 -0.002 0.000 1.126 33 Y HN 0.142 nan 8.280 nan 0.000 0.658 34 S N 1.041 116.803 115.700 0.103 0.000 2.583 34 S HA 0.254 4.725 4.470 0.001 0.000 0.239 34 S C 0.085 174.712 174.600 0.045 0.000 0.966 34 S CA 0.097 58.337 58.200 0.066 0.000 0.973 34 S CB -0.425 62.800 63.200 0.041 0.000 0.794 34 S HN 0.496 nan 8.310 nan 0.000 0.463 35 S N -0.274 115.457 115.700 0.051 0.000 2.541 35 S HA 0.489 4.960 4.470 0.001 0.000 0.271 35 S C 0.664 175.289 174.600 0.041 0.000 1.133 35 S CA -0.867 57.353 58.200 0.033 0.000 0.876 35 S CB 0.885 64.094 63.200 0.015 0.000 1.105 35 S HN 0.182 nan 8.310 nan 0.000 0.470 36 L N 0.924 122.164 121.223 0.030 0.000 2.081 36 L HA -0.172 4.168 4.340 0.001 0.000 0.212 36 L C 2.411 179.298 176.870 0.029 0.000 1.080 36 L CA 1.643 56.500 54.840 0.028 0.000 0.754 36 L CB -0.716 41.353 42.059 0.017 0.000 0.893 36 L HN 0.711 nan 8.230 nan 0.000 0.433 37 E N 0.031 120.243 120.200 0.021 0.000 2.012 37 E HA -0.188 4.163 4.350 0.001 0.000 0.197 37 E C 2.144 178.758 176.600 0.022 0.000 1.007 37 E CA 2.070 58.479 56.400 0.014 0.000 0.816 37 E CB -0.915 28.787 29.700 0.003 0.000 0.762 37 E HN 0.407 nan 8.360 nan 0.000 0.451 38 T N 1.500 116.067 114.554 0.021 0.000 2.665 38 T HA -0.197 4.153 4.350 0.001 0.000 0.268 38 T C 2.025 176.797 174.700 0.121 0.000 1.035 38 T CA 1.401 63.514 62.100 0.022 0.000 1.151 38 T CB -0.532 68.321 68.868 -0.025 0.000 0.862 38 T HN 0.019 nan 8.240 nan 0.000 0.438 39 L N 0.900 122.211 121.223 0.146 0.000 1.990 39 L HA -0.160 4.180 4.340 0.001 0.000 0.213 39 L C 3.138 180.061 176.870 0.090 0.000 1.072 39 L CA 1.558 56.487 54.840 0.148 0.000 0.755 39 L CB -0.758 41.352 42.059 0.085 0.000 0.889 39 L HN 0.311 nan 8.230 nan 0.000 0.432 40 A N -0.984 121.867 122.820 0.052 0.000 2.019 40 A HA -0.059 4.261 4.320 0.001 0.000 0.219 40 A C 1.452 179.054 177.584 0.030 0.000 1.164 40 A CA 0.900 52.954 52.037 0.028 0.000 0.644 40 A CB -0.373 18.634 19.000 0.011 0.000 0.805 40 A HN 0.224 nan 8.150 nan 0.000 0.449 41 V N 0.274 120.213 119.914 0.042 0.000 2.306 41 V HA 0.600 4.720 4.120 0.001 0.000 0.286 41 V C 0.264 176.398 176.094 0.067 0.000 1.404 41 V CA 0.441 62.761 62.300 0.033 0.000 1.467 41 V CB -0.872 30.955 31.823 0.008 0.000 1.459 41 V HN 0.660 nan 8.190 nan 0.000 0.518 42 A N 0.951 123.832 122.820 0.102 0.000 2.588 42 A HA 0.858 5.178 4.320 0.001 0.000 0.290 42 A C -0.669 176.983 177.584 0.114 0.000 1.136 42 A CA -0.492 51.654 52.037 0.182 0.000 0.681 42 A CB 1.932 21.172 19.000 0.401 0.000 1.282 42 A HN 0.311 nan 8.150 nan 0.000 0.421 43 S N -0.220 115.553 115.700 0.122 0.000 2.472 43 S HA 0.633 5.104 4.470 0.001 0.000 0.303 43 S C -2.044 172.572 174.600 0.026 0.000 1.099 43 S CA -1.627 56.609 58.200 0.060 0.000 1.077 43 S CB 1.291 64.524 63.200 0.054 0.000 1.031 43 S HN 0.329 nan 8.310 nan 0.000 0.487 44 P HA -0.104 nan 4.420 nan 0.000 0.215 44 P C 1.341 178.626 177.300 -0.025 0.000 1.153 44 P CA 0.893 63.980 63.100 -0.022 0.000 0.853 44 P CB 0.191 31.883 31.700 -0.013 0.000 0.788 45 Q N -0.127 119.669 119.800 -0.007 0.000 2.123 45 Q HA -0.147 4.194 4.340 0.001 0.000 0.199 45 Q C 1.467 177.465 176.000 -0.003 0.000 0.966 45 Q CA 1.787 57.587 55.803 -0.005 0.000 0.845 45 Q CB -0.923 27.817 28.738 0.004 0.000 0.907 45 Q HN 0.167 nan 8.270 nan 0.000 0.439 46 D N -0.311 120.098 120.400 0.015 0.000 2.123 46 D HA -0.116 4.525 4.640 0.001 0.000 0.200 46 D C 1.739 178.044 176.300 0.008 0.000 0.976 46 D CA 0.732 54.756 54.000 0.040 0.000 0.831 46 D CB -0.336 40.519 40.800 0.092 0.000 0.974 46 D HN 0.268 nan 8.370 nan 0.000 0.469 47 L N 0.619 121.798 121.223 -0.074 0.000 2.093 47 L HA -0.074 4.267 4.340 0.001 0.000 0.208 47 L C 2.198 178.940 176.870 -0.213 0.000 1.085 47 L CA 1.446 56.097 54.840 -0.315 0.000 0.755 47 L CB -0.843 40.936 42.059 -0.467 0.000 0.904 47 L HN -0.094 nan 8.230 nan 0.000 0.435 48 S N -1.328 114.299 115.700 -0.121 0.000 2.359 48 S HA -0.215 4.255 4.470 0.001 0.000 0.223 48 S C 2.047 176.610 174.600 -0.061 0.000 1.039 48 S CA 1.862 60.012 58.200 -0.083 0.000 1.042 48 S CB -0.640 62.529 63.200 -0.051 0.000 0.915 48 S HN 0.414 nan 8.310 nan 0.000 0.439 49 V N 1.286 121.177 119.914 -0.038 0.000 2.667 49 V HA 0.217 4.338 4.120 0.001 0.000 0.252 49 V C 2.099 178.187 176.094 -0.010 0.000 1.065 49 V CA 1.695 63.985 62.300 -0.017 0.000 1.083 49 V CB -0.607 31.215 31.823 -0.002 0.000 0.692 49 V HN 0.552 nan 8.190 nan 0.000 0.468 50 A N -1.131 121.681 122.820 -0.013 0.000 2.238 50 A HA 0.635 4.955 4.320 0.001 0.000 0.208 50 A C 1.704 179.284 177.584 -0.008 0.000 1.177 50 A CA 1.013 53.065 52.037 0.025 0.000 0.804 50 A CB -0.281 18.790 19.000 0.119 0.000 0.823 50 A HN 0.960 nan 8.150 nan 0.000 0.482 51 A N -2.964 119.822 122.820 -0.057 0.000 2.664 51 A HA 0.472 4.792 4.320 0.001 0.000 0.222 51 A C 1.494 179.053 177.584 -0.042 0.000 1.320 51 A CA 0.886 52.888 52.037 -0.059 0.000 1.029 51 A CB -0.361 18.561 19.000 -0.130 0.000 1.318 51 A HN 1.764 nan 8.150 nan 0.000 0.589 52 G N 0.569 109.347 108.800 -0.036 0.000 2.153 52 G HA2 -0.236 3.724 3.960 0.001 0.000 0.252 52 G HA3 -0.236 3.724 3.960 0.001 0.000 0.252 52 G C 0.238 175.120 174.900 -0.031 0.000 0.994 52 G CA 0.646 45.730 45.100 -0.026 0.000 0.698 52 G HN 1.505 nan 8.290 nan 0.000 0.521 53 I N -2.197 118.346 120.570 -0.045 0.000 2.707 53 I HA 0.759 4.930 4.170 0.001 0.000 0.309 53 I C -1.961 174.132 176.117 -0.041 0.000 1.001 53 I CA -3.242 58.032 61.300 -0.043 0.000 1.129 53 I CB 1.704 39.671 38.000 -0.055 0.000 1.308 53 I HN -0.135 nan 8.210 nan 0.000 0.466 54 P HA -0.001 nan 4.420 nan 0.000 0.272 54 P C 0.549 177.830 177.300 -0.033 0.000 1.223 54 P CA -0.344 62.740 63.100 -0.027 0.000 0.784 54 P CB 1.191 32.879 31.700 -0.020 0.000 0.923 55 L N 2.980 124.186 121.223 -0.028 0.000 2.081 55 L HA -0.198 4.142 4.340 0.001 0.000 0.212 55 L C 2.503 179.358 176.870 -0.025 0.000 1.080 55 L CA 2.455 57.278 54.840 -0.028 0.000 0.754 55 L CB -1.390 40.657 42.059 -0.019 0.000 0.893 55 L HN 0.434 nan 8.230 nan 0.000 0.433 56 S N -1.966 113.723 115.700 -0.020 0.000 2.399 56 S HA -0.183 4.287 4.470 0.001 0.000 0.231 56 S C 1.831 176.419 174.600 -0.020 0.000 1.022 56 S CA 1.845 60.036 58.200 -0.016 0.000 0.983 56 S CB -0.429 62.764 63.200 -0.012 0.000 0.803 56 S HN 0.673 nan 8.310 nan 0.000 0.480 57 T N 1.527 116.066 114.554 -0.026 0.000 2.937 57 T HA 0.266 4.616 4.350 0.001 0.000 0.260 57 T C 2.133 176.808 174.700 -0.041 0.000 1.051 57 T CA 0.909 62.991 62.100 -0.030 0.000 1.141 57 T CB -0.548 68.302 68.868 -0.031 0.000 0.879 57 T HN 0.507 nan 8.240 nan 0.000 0.459 58 A N 1.551 124.339 122.820 -0.053 0.000 1.877 58 A HA -0.196 4.125 4.320 0.001 0.000 0.216 58 A C 2.257 179.811 177.584 -0.051 0.000 1.186 58 A CA 2.100 54.092 52.037 -0.074 0.000 0.620 58 A CB -0.812 18.136 19.000 -0.087 0.000 0.822 58 A HN 0.460 nan 8.150 nan 0.000 0.443 59 Q N -0.098 119.681 119.800 -0.034 0.000 2.002 59 Q HA -0.247 4.093 4.340 0.001 0.000 0.204 59 Q C 2.075 178.065 176.000 -0.016 0.000 0.988 59 Q CA 2.568 58.358 55.803 -0.020 0.000 0.843 59 Q CB -0.271 28.460 28.738 -0.013 0.000 0.908 59 Q HN 0.487 nan 8.270 nan 0.000 0.420 60 K N 0.064 120.454 120.400 -0.016 0.000 2.103 60 K HA -0.096 4.224 4.320 0.001 0.000 0.207 60 K C 1.824 178.417 176.600 -0.012 0.000 1.048 60 K CA 1.678 57.958 56.287 -0.011 0.000 0.930 60 K CB -0.426 32.067 32.500 -0.011 0.000 0.716 60 K HN 0.427 nan 8.250 nan 0.000 0.444 61 I N -0.066 120.492 120.570 -0.020 0.000 2.252 61 I HA -0.231 3.940 4.170 0.001 0.000 0.245 61 I C 1.977 178.088 176.117 -0.011 0.000 1.102 61 I CA 1.097 62.386 61.300 -0.019 0.000 1.385 61 I CB -0.159 37.821 38.000 -0.033 0.000 1.064 61 I HN 0.116 nan 8.210 nan 0.000 0.414 62 I N 0.607 121.169 120.570 -0.013 0.000 2.353 62 I HA -0.273 3.898 4.170 0.001 0.000 0.248 62 I C 2.598 178.715 176.117 0.000 0.000 1.119 62 I CA 1.161 62.460 61.300 -0.000 0.000 1.417 62 I CB -0.372 37.629 38.000 0.001 0.000 1.078 62 I HN 0.150 nan 8.210 nan 0.000 0.421 63 K N 1.408 121.806 120.400 -0.003 0.000 2.032 63 K HA -0.241 4.080 4.320 0.001 0.000 0.209 63 K C 1.944 178.543 176.600 -0.001 0.000 1.048 63 K CA 1.859 58.145 56.287 -0.002 0.000 0.927 63 K CB -0.065 32.435 32.500 0.000 0.000 0.712 63 K HN 0.323 nan 8.250 nan 0.000 0.441 64 E N -0.112 120.088 120.200 -0.000 0.000 2.110 64 E HA -0.162 4.189 4.350 0.001 0.000 0.193 64 E C 1.920 178.522 176.600 0.003 0.000 0.988 64 E CA 0.960 57.361 56.400 0.001 0.000 0.804 64 E CB -0.097 29.603 29.700 0.000 0.000 0.745 64 E HN 0.459 nan 8.360 nan 0.000 0.458 65 A N 1.224 124.046 122.820 0.004 0.000 1.972 65 A HA -0.189 4.131 4.320 0.001 0.000 0.219 65 A C 2.018 179.604 177.584 0.004 0.000 1.169 65 A CA 1.246 53.288 52.037 0.008 0.000 0.635 65 A CB -0.284 18.726 19.000 0.017 0.000 0.810 65 A HN 0.074 nan 8.150 nan 0.000 0.446 66 R N -0.309 120.191 120.500 -0.001 0.000 2.073 66 R HA -0.066 4.275 4.340 0.001 0.000 0.229 66 R C 1.535 177.830 176.300 -0.009 0.000 1.120 66 R CA 1.273 57.368 56.100 -0.009 0.000 0.967 66 R CB -0.293 29.996 30.300 -0.019 0.000 0.862 66 R HN 0.507 nan 8.270 nan 0.000 0.436 67 D N 0.865 121.263 120.400 -0.003 0.000 2.117 67 D HA -0.154 4.487 4.640 0.001 0.000 0.197 67 D C 1.823 178.124 176.300 0.001 0.000 0.987 67 D CA 1.525 55.525 54.000 0.000 0.000 0.829 67 D CB -0.183 40.620 40.800 0.004 0.000 0.961 67 D HN 0.238 nan 8.370 nan 0.000 0.460 68 A N 0.951 123.772 122.820 0.002 0.000 1.902 68 A HA -0.097 4.223 4.320 0.001 0.000 0.217 68 A C 2.232 179.817 177.584 0.002 0.000 1.181 68 A CA 0.869 52.908 52.037 0.003 0.000 0.623 68 A CB -0.665 18.338 19.000 0.005 0.000 0.818 68 A HN 0.215 nan 8.150 nan 0.000 0.443 69 L N -0.943 120.280 121.223 0.000 0.000 2.612 69 L HA 0.061 4.401 4.340 0.001 0.000 0.230 69 L C 0.400 177.267 176.870 -0.005 0.000 1.140 69 L CA 0.426 55.265 54.840 -0.002 0.000 0.896 69 L CB -0.405 41.652 42.059 -0.002 0.000 1.065 69 L HN 0.439 nan 8.230 nan 0.000 0.447 70 D N 0.968 121.366 120.400 -0.004 0.000 2.772 70 D HA -0.220 4.420 4.640 0.001 0.000 0.233 70 D C -0.108 176.183 176.300 -0.016 0.000 1.143 70 D CA 0.573 54.570 54.000 -0.005 0.000 0.700 70 D CB -0.913 39.886 40.800 -0.001 0.000 1.076 70 D HN 0.260 nan 8.370 nan 0.000 0.430 71 I N 1.243 121.797 120.570 -0.026 0.000 2.291 71 I HA 0.383 4.553 4.170 0.001 0.000 0.290 71 I C 0.814 176.889 176.117 -0.068 0.000 1.050 71 I CA -0.177 61.092 61.300 -0.051 0.000 1.245 71 I CB 0.523 38.492 38.000 -0.052 0.000 1.405 71 I HN 0.157 nan 8.210 nan 0.000 0.478 72 R N 4.292 124.740 120.500 -0.087 0.000 2.774 72 R HA 0.410 4.751 4.340 0.001 0.000 0.279 72 R C -1.578 174.672 176.300 -0.083 0.000 1.022 72 R CA -0.948 55.100 56.100 -0.087 0.000 0.855 72 R CB 0.742 31.044 30.300 0.003 0.000 1.279 72 R HN 0.069 nan 8.270 nan 0.000 0.485 73 F N 1.558 121.510 119.950 0.003 0.000 2.538 73 F HA 0.280 4.808 4.527 0.001 0.000 0.371 73 F C 0.625 176.425 175.800 0.001 0.000 1.087 73 F CA 0.695 58.696 58.000 0.002 0.000 1.250 73 F CB 0.800 39.800 39.000 0.001 0.000 1.110 73 F HN 0.262 nan 8.300 nan 0.000 0.570 74 K N 0.866 121.393 120.400 0.211 0.000 2.378 74 K HA 0.487 4.807 4.320 0.001 0.000 0.244 74 K C -0.323 176.338 176.600 0.102 0.000 1.039 74 K CA -1.064 55.292 56.287 0.115 0.000 0.863 74 K CB 1.849 34.389 32.500 0.067 0.000 1.326 74 K HN 0.585 nan 8.250 nan 0.000 0.460 75 T N -2.406 112.183 114.554 0.058 0.000 2.902 75 T HA 0.364 4.715 4.350 0.001 0.000 0.280 75 T C 1.118 175.838 174.700 0.034 0.000 0.992 75 T CA -0.385 61.738 62.100 0.040 0.000 1.015 75 T CB 1.487 70.367 68.868 0.019 0.000 1.044 75 T HN 0.565 nan 8.240 nan 0.000 0.520 76 A N 0.603 123.438 122.820 0.024 0.000 2.019 76 A HA 0.051 4.372 4.320 0.001 0.000 0.219 76 A C 2.087 179.675 177.584 0.007 0.000 1.164 76 A CA 1.153 53.199 52.037 0.015 0.000 0.644 76 A CB -0.967 18.038 19.000 0.007 0.000 0.805 76 A HN 0.790 nan 8.150 nan 0.000 0.449 77 L N 0.237 121.463 121.223 0.005 0.000 2.046 77 L HA -0.148 4.192 4.340 0.001 0.000 0.208 77 L C 2.075 178.948 176.870 0.004 0.000 1.077 77 L CA 2.391 57.231 54.840 0.001 0.000 0.747 77 L CB -0.749 41.310 42.059 0.000 0.000 0.896 77 L HN 0.516 nan 8.230 nan 0.000 0.432 78 E N -1.274 118.933 120.200 0.011 0.000 2.153 78 E HA -0.180 4.171 4.350 0.001 0.000 0.194 78 E C 2.139 178.745 176.600 0.010 0.000 0.988 78 E CA 1.272 57.680 56.400 0.012 0.000 0.811 78 E CB -0.047 29.664 29.700 0.019 0.000 0.746 78 E HN 0.412 nan 8.360 nan 0.000 0.466 79 V N 1.259 121.180 119.914 0.011 0.000 2.379 79 V HA -0.229 3.892 4.120 0.001 0.000 0.245 79 V C 2.310 178.404 176.094 -0.000 0.000 1.044 79 V CA 1.593 63.898 62.300 0.007 0.000 1.036 79 V CB -0.340 31.489 31.823 0.009 0.000 0.664 79 V HN 0.179 nan 8.190 nan 0.000 0.453 80 K N 0.354 120.752 120.400 -0.004 0.000 2.057 80 K HA -0.218 4.102 4.320 0.001 0.000 0.207 80 K C 2.241 178.836 176.600 -0.008 0.000 1.049 80 K CA 1.609 57.890 56.287 -0.010 0.000 0.931 80 K CB -0.107 32.385 32.500 -0.013 0.000 0.714 80 K HN 0.382 nan 8.250 nan 0.000 0.440 81 K N 0.542 120.940 120.400 -0.004 0.000 2.097 81 K HA -0.159 4.162 4.320 0.001 0.000 0.206 81 K C 1.921 178.520 176.600 -0.001 0.000 1.049 81 K CA 1.788 58.073 56.287 -0.003 0.000 0.933 81 K CB -0.023 32.477 32.500 -0.001 0.000 0.717 81 K HN 0.310 nan 8.250 nan 0.000 0.442 82 E N 0.211 120.412 120.200 0.001 0.000 2.204 82 E HA -0.141 4.209 4.350 0.001 0.000 0.194 82 E C 1.664 178.265 176.600 0.001 0.000 0.989 82 E CA 0.829 57.230 56.400 0.002 0.000 0.824 82 E CB 0.113 29.815 29.700 0.004 0.000 0.756 82 E HN 0.262 nan 8.360 nan 0.000 0.477 83 R N 0.106 120.605 120.500 -0.002 0.000 2.373 83 R HA 0.189 4.530 4.340 0.001 0.000 0.221 83 R C 2.250 178.546 176.300 -0.006 0.000 0.893 83 R CA 0.175 56.273 56.100 -0.003 0.000 1.049 83 R CB 0.014 30.312 30.300 -0.004 0.000 1.119 83 R HN 0.220 nan 8.270 nan 0.000 0.535 84 M N 1.137 120.732 119.600 -0.009 0.000 2.557 84 M HA 0.044 4.525 4.480 0.001 0.000 0.259 84 M C -0.236 176.057 176.300 -0.012 0.000 1.086 84 M CA 0.577 55.869 55.300 -0.014 0.000 1.096 84 M CB -0.811 31.779 32.600 -0.016 0.000 1.424 84 M HN -0.071 nan 8.290 nan 0.000 0.488 85 N N 1.290 119.986 118.700 -0.006 0.000 2.412 85 N HA 0.215 4.956 4.740 0.001 0.000 0.254 85 N C -0.640 174.868 175.510 -0.004 0.000 1.232 85 N CA -0.576 52.472 53.050 -0.004 0.000 0.880 85 N CB 0.516 39.003 38.487 0.000 0.000 1.076 85 N HN 0.070 nan 8.380 nan 0.000 0.458 86 V N 1.700 121.612 119.914 -0.004 0.000 2.557 86 V HA -0.076 4.045 4.120 0.001 0.000 0.301 86 V C 0.530 176.627 176.094 0.005 0.000 1.026 86 V CA 0.446 62.745 62.300 -0.002 0.000 1.137 86 V CB -0.431 31.392 31.823 -0.000 0.000 0.917 86 V HN 0.724 nan 8.190 nan 0.000 0.484 87 K N 5.693 126.098 120.400 0.007 0.000 2.259 87 K HA 0.704 5.024 4.320 0.001 0.000 0.252 87 K C -0.881 175.730 176.600 0.019 0.000 0.936 87 K CA -0.938 55.357 56.287 0.013 0.000 0.810 87 K CB 2.263 34.772 32.500 0.014 0.000 1.143 87 K HN 0.509 nan 8.250 nan 0.000 0.427 88 K N 2.464 122.877 120.400 0.022 0.000 2.502 88 K HA 0.493 4.813 4.320 0.001 0.000 0.257 88 K C -0.923 175.693 176.600 0.028 0.000 0.938 88 K CA -0.754 55.549 56.287 0.028 0.000 0.819 88 K CB 2.253 34.771 32.500 0.029 0.000 1.333 88 K HN 0.472 nan 8.250 nan 0.000 0.434 89 I N 1.204 121.793 120.570 0.032 0.000 2.389 89 I HA 0.107 4.277 4.170 0.001 0.000 0.288 89 I C 0.478 176.610 176.117 0.024 0.000 0.999 89 I CA -0.587 60.731 61.300 0.030 0.000 1.129 89 I CB 1.922 39.943 38.000 0.036 0.000 1.288 89 I HN 0.502 nan 8.210 nan 0.000 0.444 90 S N 3.125 118.834 115.700 0.015 0.000 2.560 90 S HA 0.020 4.491 4.470 0.001 0.000 0.284 90 S C 1.424 176.016 174.600 -0.014 0.000 1.327 90 S CA 0.155 58.356 58.200 0.002 0.000 1.055 90 S CB 0.679 63.880 63.200 0.002 0.000 0.868 90 S HN 0.805 nan 8.310 nan 0.000 0.506 91 T N 1.533 116.062 114.554 -0.042 0.000 3.088 91 T HA 0.332 4.683 4.350 0.001 0.000 0.259 91 T C 1.501 176.149 174.700 -0.086 0.000 1.122 91 T CA 0.723 62.767 62.100 -0.093 0.000 1.095 91 T CB -0.383 68.379 68.868 -0.177 0.000 0.930 91 T HN 1.640 nan 8.240 nan 0.000 0.508 92 G N 0.601 109.371 108.800 -0.049 0.000 2.232 92 G HA2 -0.205 3.755 3.960 0.001 0.000 0.226 92 G HA3 -0.205 3.755 3.960 0.001 0.000 0.226 92 G C 0.205 175.089 174.900 -0.027 0.000 0.996 92 G CA 0.157 45.238 45.100 -0.030 0.000 0.626 92 G HN 1.119 nan 8.290 nan 0.000 0.509 93 S N -0.066 115.603 115.700 -0.052 0.000 2.498 93 S HA 0.602 5.072 4.470 0.001 0.000 0.317 93 S C 1.036 175.623 174.600 -0.022 0.000 1.090 93 S CA 0.265 58.449 58.200 -0.028 0.000 1.089 93 S CB 1.707 64.881 63.200 -0.045 0.000 0.997 93 S HN 0.297 nan 8.310 nan 0.000 0.470 94 Q N 3.108 122.910 119.800 0.003 0.000 2.124 94 Q HA -0.099 4.242 4.340 0.001 0.000 0.202 94 Q C 2.246 178.252 176.000 0.011 0.000 0.977 94 Q CA 1.679 57.486 55.803 0.006 0.000 0.850 94 Q CB -0.249 28.496 28.738 0.012 0.000 0.901 94 Q HN 0.938 nan 8.270 nan 0.000 0.429 95 A N 0.595 123.431 122.820 0.026 0.000 1.930 95 A HA -0.152 4.168 4.320 0.001 0.000 0.217 95 A C 1.955 179.556 177.584 0.028 0.000 1.175 95 A CA 0.931 52.990 52.037 0.038 0.000 0.627 95 A CB -0.452 18.590 19.000 0.070 0.000 0.815 95 A HN 0.334 nan 8.150 nan 0.000 0.443 96 L N -0.024 121.196 121.223 -0.004 0.000 2.156 96 L HA -0.084 4.256 4.340 0.001 0.000 0.208 96 L C 1.404 178.256 176.870 -0.031 0.000 1.095 96 L CA 2.164 56.970 54.840 -0.057 0.000 0.770 96 L CB -0.687 41.209 42.059 -0.273 0.000 0.914 96 L HN 0.288 nan 8.230 nan 0.000 0.439 97 D N -0.484 119.900 120.400 -0.027 0.000 2.144 97 D HA -0.108 4.532 4.640 0.001 0.000 0.199 97 D C 2.143 178.446 176.300 0.005 0.000 0.984 97 D CA 1.322 55.318 54.000 -0.007 0.000 0.834 97 D CB -0.448 40.349 40.800 -0.006 0.000 0.955 97 D HN 0.463 nan 8.370 nan 0.000 0.465 98 G N 0.701 109.505 108.800 0.006 0.000 2.418 98 G HA2 -0.225 3.736 3.960 0.001 0.000 0.217 98 G HA3 -0.225 3.736 3.960 0.001 0.000 0.217 98 G C 1.590 176.494 174.900 0.005 0.000 1.158 98 G CA 0.415 45.520 45.100 0.009 0.000 0.771 98 G HN 0.246 nan 8.290 nan 0.000 0.545 99 L N 0.082 121.310 121.223 0.008 0.000 2.127 99 L HA 0.101 4.441 4.340 0.001 0.000 0.211 99 L C 2.202 179.063 176.870 -0.014 0.000 1.089 99 L CA 1.313 56.155 54.840 0.002 0.000 0.757 99 L CB -0.101 41.970 42.059 0.020 0.000 0.899 99 L HN 0.187 nan 8.230 nan 0.000 0.434 100 L N -0.338 120.885 121.223 -0.001 0.000 2.653 100 L HA 0.335 4.675 4.340 0.001 0.000 0.231 100 L C 1.132 178.008 176.870 0.010 0.000 1.153 100 L CA 0.257 55.097 54.840 -0.000 0.000 0.933 100 L CB -0.442 41.638 42.059 0.034 0.000 1.175 100 L HN 0.267 nan 8.230 nan 0.000 0.473 101 A N 0.289 123.112 122.820 0.006 0.000 2.739 101 A HA -0.069 4.252 4.320 0.001 0.000 0.296 101 A C 1.364 178.966 177.584 0.030 0.000 1.488 101 A CA 0.862 52.911 52.037 0.020 0.000 0.746 101 A CB -1.792 17.229 19.000 0.034 0.000 1.047 101 A HN 0.904 nan 8.150 nan 0.000 0.477 102 G N -3.028 105.786 108.800 0.023 0.000 2.339 102 G HA2 0.496 4.456 3.960 0.001 0.000 0.209 102 G HA3 0.496 4.456 3.960 0.001 0.000 0.209 102 G C 0.743 175.658 174.900 0.024 0.000 1.015 102 G CA 0.929 46.043 45.100 0.023 0.000 0.635 102 G HN 3.107 nan 8.290 nan 0.000 0.499 103 G N -0.619 108.200 108.800 0.033 0.000 2.320 103 G HA2 0.431 4.392 3.960 0.001 0.000 0.274 103 G HA3 0.431 4.392 3.960 0.001 0.000 0.274 103 G C -1.241 173.694 174.900 0.058 0.000 1.324 103 G CA -0.233 44.890 45.100 0.038 0.000 0.957 103 G HN 0.839 nan 8.290 nan 0.000 0.481 104 I N 1.730 122.340 120.570 0.066 0.000 2.396 104 I HA 0.321 4.492 4.170 0.001 0.000 0.289 104 I C 0.704 176.854 176.117 0.056 0.000 1.056 104 I CA -0.033 61.316 61.300 0.081 0.000 1.365 104 I CB 0.848 38.907 38.000 0.099 0.000 1.407 104 I HN 0.618 nan 8.210 nan 0.000 0.509 105 E N 4.543 124.774 120.200 0.052 0.000 2.249 105 E HA 0.275 4.625 4.350 0.001 0.000 0.280 105 E C -0.038 176.575 176.600 0.022 0.000 1.016 105 E CA -0.524 55.897 56.400 0.035 0.000 0.830 105 E CB 1.164 30.885 29.700 0.035 0.000 1.081 105 E HN 0.711 nan 8.360 nan 0.000 0.395 106 T N 1.581 116.144 114.554 0.015 0.000 2.788 106 T HA 0.233 4.584 4.350 0.001 0.000 0.287 106 T C 0.458 175.155 174.700 -0.005 0.000 1.007 106 T CA -0.395 61.711 62.100 0.009 0.000 1.005 106 T CB 0.692 69.567 68.868 0.012 0.000 1.012 106 T HN 0.812 nan 8.240 nan 0.000 0.530 107 R N -1.454 119.041 120.500 -0.009 0.000 3.951 107 R HA -0.146 4.194 4.340 0.001 0.000 0.352 107 R C 0.009 176.290 176.300 -0.031 0.000 1.178 107 R CA 1.125 57.210 56.100 -0.024 0.000 0.949 107 R CB -2.986 27.294 30.300 -0.035 0.000 1.452 107 R HN 1.143 nan 8.270 nan 0.000 0.540 108 T N -3.097 111.443 114.554 -0.022 0.000 2.868 108 T HA 0.617 4.967 4.350 0.001 0.000 0.306 108 T C -0.430 174.260 174.700 -0.017 0.000 1.224 108 T CA -1.043 61.043 62.100 -0.023 0.000 1.012 108 T CB 2.428 71.287 68.868 -0.016 0.000 1.221 108 T HN 0.206 nan 8.240 nan 0.000 0.499 109 M N 2.330 121.916 119.600 -0.023 0.000 2.149 109 M HA 0.529 5.010 4.480 0.001 0.000 0.342 109 M C -1.294 174.987 176.300 -0.032 0.000 1.068 109 M CA -0.178 55.105 55.300 -0.028 0.000 0.991 109 M CB 1.293 33.869 32.600 -0.039 0.000 1.596 109 M HN 0.838 nan 8.290 nan 0.000 0.439 110 T N 4.035 118.566 114.554 -0.039 0.000 2.792 110 T HA 0.332 4.682 4.350 0.001 0.000 0.280 110 T C -1.017 173.595 174.700 -0.146 0.000 0.990 110 T CA -0.611 61.422 62.100 -0.112 0.000 0.960 110 T CB 1.387 70.184 68.868 -0.117 0.000 0.939 110 T HN 0.707 nan 8.240 nan 0.000 0.439 111 E N 2.903 122.980 120.200 -0.205 0.000 2.166 111 E HA 0.481 4.831 4.350 0.001 0.000 0.275 111 E C -1.375 175.050 176.600 -0.292 0.000 0.941 111 E CA -0.679 55.649 56.400 -0.120 0.000 0.784 111 E CB 0.817 30.520 29.700 0.005 0.000 1.115 111 E HN 0.423 nan 8.360 nan 0.000 0.399 112 F N 4.728 124.748 119.950 0.117 0.000 2.458 112 F HA 0.452 4.979 4.527 0.000 0.000 0.336 112 F C -0.310 175.597 175.800 0.179 0.000 1.114 112 F CA -0.774 57.277 58.000 0.086 0.000 0.987 112 F CB 1.011 40.027 39.000 0.026 0.000 1.130 112 F HN 0.363 nan 8.300 nan 0.000 0.458 113 F N 0.317 120.368 119.950 0.168 0.000 2.599 113 F HA 1.024 5.552 4.527 0.001 0.000 0.311 113 F C -0.320 175.548 175.800 0.114 0.000 1.076 113 F CA -1.249 56.822 58.000 0.118 0.000 0.937 113 F CB 1.907 40.948 39.000 0.068 0.000 1.282 113 F HN 0.762 nan 8.300 nan 0.000 0.460 114 G N 1.008 109.937 108.800 0.216 0.000 2.337 114 G HA2 0.352 4.313 3.960 0.001 0.000 0.298 114 G HA3 0.352 4.313 3.960 0.001 0.000 0.298 114 G C -1.869 173.106 174.900 0.125 0.000 1.335 114 G CA -0.571 44.585 45.100 0.093 0.000 0.875 114 G HN 1.149 nan 8.290 nan 0.000 0.579 115 E N -0.767 119.489 120.200 0.094 0.000 2.409 115 E HA 0.476 4.826 4.350 0.001 0.000 0.257 115 E C -0.162 176.505 176.600 0.112 0.000 1.150 115 E CA -0.731 55.740 56.400 0.120 0.000 0.942 115 E CB 0.972 30.735 29.700 0.105 0.000 0.979 115 E HN 0.594 nan 8.360 nan 0.000 0.447 116 F N 1.237 121.219 119.950 0.052 0.000 2.623 116 F HA 0.184 4.711 4.527 0.001 0.000 0.383 116 F C 1.466 177.282 175.800 0.026 0.000 1.077 116 F CA 1.859 59.886 58.000 0.045 0.000 1.268 116 F CB 0.201 39.224 39.000 0.037 0.000 1.053 116 F HN 0.765 nan 8.300 nan 0.000 0.571 117 G N 2.868 111.159 108.800 -0.847 0.000 2.176 117 G HA2 -0.362 3.598 3.960 0.001 0.000 0.253 117 G HA3 -0.362 3.598 3.960 0.001 0.000 0.253 117 G C 1.084 175.857 174.900 -0.212 0.000 0.979 117 G CA 0.734 45.545 45.100 -0.482 0.000 0.641 117 G HN 1.302 nan 8.290 nan 0.000 0.530 118 S N -0.565 115.046 115.700 -0.148 0.000 2.515 118 S HA 0.388 4.859 4.470 0.001 0.000 0.231 118 S C 2.187 176.757 174.600 -0.051 0.000 0.987 118 S CA 1.620 59.771 58.200 -0.083 0.000 0.936 118 S CB 0.191 63.369 63.200 -0.037 0.000 0.766 118 S HN 2.375 nan 8.310 nan 0.000 0.528 119 G N 1.883 110.644 108.800 -0.064 0.000 2.296 119 G HA2 -0.253 3.708 3.960 0.001 0.000 0.188 119 G HA3 -0.253 3.708 3.960 0.001 0.000 0.188 119 G C 0.836 175.719 174.900 -0.029 0.000 1.000 119 G CA 0.136 45.247 45.100 0.019 0.000 0.672 119 G HN 0.616 nan 8.290 nan 0.000 0.483 120 K N 0.042 120.426 120.400 -0.027 0.000 2.057 120 K HA -0.000 4.320 4.320 0.001 0.000 0.207 120 K C 2.064 178.662 176.600 -0.003 0.000 1.049 120 K CA 2.008 58.285 56.287 -0.016 0.000 0.931 120 K CB -0.635 31.923 32.500 0.097 0.000 0.714 120 K HN 0.207 nan 8.250 nan 0.000 0.440 121 T N 1.350 115.914 114.554 0.017 0.000 2.896 121 T HA -0.060 4.291 4.350 0.001 0.000 0.263 121 T C 1.890 176.704 174.700 0.190 0.000 1.050 121 T CA 1.024 63.205 62.100 0.136 0.000 1.140 121 T CB -0.054 68.880 68.868 0.110 0.000 0.877 121 T HN 0.307 nan 8.240 nan 0.000 0.457 122 Q N 0.404 120.207 119.800 0.005 0.000 2.167 122 Q HA 0.044 4.384 4.340 0.001 0.000 0.202 122 Q C 2.299 178.327 176.000 0.047 0.000 0.970 122 Q CA 0.912 56.695 55.803 -0.033 0.000 0.855 122 Q CB -0.331 28.350 28.738 -0.094 0.000 0.911 122 Q HN 0.464 nan 8.270 nan 0.000 0.438 123 L N -0.322 120.877 121.223 -0.040 0.000 2.083 123 L HA -0.228 4.112 4.340 0.001 0.000 0.209 123 L C 2.514 179.374 176.870 -0.016 0.000 1.083 123 L CA 0.775 55.529 54.840 -0.144 0.000 0.752 123 L CB -0.301 41.475 42.059 -0.472 0.000 0.899 123 L HN 0.343 nan 8.230 nan 0.000 0.433 124 C N -1.031 118.322 119.300 0.088 0.000 2.425 124 C HA -0.188 4.273 4.460 0.001 0.000 0.277 124 C C 2.651 177.845 174.990 0.341 0.000 1.280 124 C CA 0.646 59.751 59.018 0.145 0.000 1.744 124 C CB -1.112 26.684 27.740 0.094 0.000 1.989 124 C HN 0.530 nan 8.230 nan 0.000 0.491 125 H N -0.048 119.213 119.070 0.318 0.000 2.326 125 H HA -0.126 4.431 4.556 0.001 0.000 0.301 125 H C 2.207 177.632 175.328 0.161 0.000 1.081 125 H CA 1.969 58.191 56.048 0.290 0.000 1.334 125 H CB -0.438 29.386 29.762 0.104 0.000 1.385 125 H HN 0.399 nan 8.280 nan 0.000 0.504 126 Q N 0.809 120.735 119.800 0.210 0.000 2.030 126 Q HA -0.114 4.226 4.340 0.001 0.000 0.204 126 Q C 2.143 178.193 176.000 0.083 0.000 0.986 126 Q CA 1.489 57.353 55.803 0.101 0.000 0.843 126 Q CB -0.510 28.241 28.738 0.022 0.000 0.904 126 Q HN 0.490 nan 8.270 nan 0.000 0.420 127 L N -0.166 121.096 121.223 0.066 0.000 2.127 127 L HA -0.177 4.163 4.340 0.001 0.000 0.211 127 L C 2.321 179.249 176.870 0.096 0.000 1.089 127 L CA 1.272 56.147 54.840 0.058 0.000 0.757 127 L CB -0.359 41.723 42.059 0.039 0.000 0.899 127 L HN 0.172 nan 8.230 nan 0.000 0.434 128 S N -1.065 114.725 115.700 0.150 0.000 2.447 128 S HA -0.088 4.382 4.470 0.001 0.000 0.233 128 S C 1.841 176.528 174.600 0.144 0.000 1.006 128 S CA 0.792 59.099 58.200 0.179 0.000 0.957 128 S CB 0.079 63.454 63.200 0.292 0.000 0.773 128 S HN 0.193 nan 8.310 nan 0.000 0.507 129 V N 1.825 121.813 119.914 0.125 0.000 2.492 129 V HA 0.014 4.135 4.120 0.001 0.000 0.241 129 V C 1.891 178.026 176.094 0.069 0.000 1.041 129 V CA 0.962 63.319 62.300 0.095 0.000 1.057 129 V CB -0.638 31.237 31.823 0.087 0.000 0.711 129 V HN 0.319 nan 8.190 nan 0.000 0.468 130 N N 0.599 119.334 118.700 0.059 0.000 2.149 130 N HA -0.160 4.580 4.740 0.001 0.000 0.188 130 N C 1.748 177.284 175.510 0.043 0.000 1.019 130 N CA 1.372 54.447 53.050 0.042 0.000 0.857 130 N CB -0.724 37.780 38.487 0.029 0.000 0.997 130 N HN 0.319 nan 8.380 nan 0.000 0.426 131 V N 1.226 121.172 119.914 0.053 0.000 2.568 131 V HA -0.248 3.872 4.120 0.001 0.000 0.253 131 V C 1.650 177.773 176.094 0.048 0.000 1.072 131 V CA 1.760 64.091 62.300 0.050 0.000 1.084 131 V CB -0.285 31.574 31.823 0.060 0.000 0.676 131 V HN 0.411 nan 8.190 nan 0.000 0.469 132 Q N -0.523 119.307 119.800 0.051 0.000 2.435 132 Q HA 0.134 4.474 4.340 0.001 0.000 0.207 132 Q C 0.664 176.686 176.000 0.036 0.000 0.956 132 Q CA 0.081 55.911 55.803 0.046 0.000 0.917 132 Q CB 0.060 28.828 28.738 0.049 0.000 0.997 132 Q HN 0.532 nan 8.270 nan 0.000 0.497 133 L N 2.693 123.936 121.223 0.033 0.000 2.473 133 L HA 0.144 4.484 4.340 0.001 0.000 0.268 133 L C -1.906 174.978 176.870 0.024 0.000 1.215 133 L CA -1.836 53.020 54.840 0.026 0.000 0.823 133 L CB 0.009 42.083 42.059 0.024 0.000 1.099 133 L HN -0.036 nan 8.230 nan 0.000 0.483 134 P HA 0.143 nan 4.420 nan 0.000 0.274 134 P C -2.399 174.911 177.300 0.017 0.000 1.246 134 P CA -1.627 61.484 63.100 0.018 0.000 0.795 134 P CB 0.335 32.044 31.700 0.015 0.000 1.006 135 P HA -0.200 nan 4.420 nan 0.000 0.216 135 P C 1.489 178.797 177.300 0.014 0.000 1.150 135 P CA 1.709 64.818 63.100 0.015 0.000 0.843 135 P CB -0.234 31.475 31.700 0.014 0.000 0.787 136 E N 0.417 120.624 120.200 0.012 0.000 2.409 136 E HA -0.164 4.186 4.350 0.001 0.000 0.198 136 E C 1.067 177.674 176.600 0.011 0.000 1.024 136 E CA 1.173 57.580 56.400 0.011 0.000 0.861 136 E CB -0.537 29.169 29.700 0.010 0.000 0.788 136 E HN 0.281 nan 8.360 nan 0.000 0.521 137 K N -0.232 120.175 120.400 0.013 0.000 2.373 137 K HA 0.180 4.501 4.320 0.001 0.000 0.202 137 K C 0.595 177.203 176.600 0.013 0.000 1.025 137 K CA 0.418 56.713 56.287 0.013 0.000 1.115 137 K CB 0.928 33.436 32.500 0.014 0.000 0.858 137 K HN 0.301 nan 8.250 nan 0.000 0.525 138 G N 0.934 109.742 108.800 0.014 0.000 2.176 138 G HA2 -0.203 3.757 3.960 0.001 0.000 0.232 138 G HA3 -0.203 3.757 3.960 0.001 0.000 0.232 138 G C 0.324 175.235 174.900 0.018 0.000 0.986 138 G CA -0.135 44.974 45.100 0.014 0.000 0.643 138 G HN 0.497 nan 8.290 nan 0.000 0.522 139 G N -1.253 107.559 108.800 0.020 0.000 2.938 139 G HA2 0.691 4.652 3.960 0.001 0.000 0.258 139 G HA3 0.691 4.652 3.960 0.001 0.000 0.258 139 G C 0.496 175.411 174.900 0.025 0.000 1.356 139 G CA -0.527 44.588 45.100 0.025 0.000 1.052 139 G HN 0.608 nan 8.290 nan 0.000 0.550 140 L N -0.344 120.896 121.223 0.028 0.000 3.184 140 L HA 0.253 4.594 4.340 0.001 0.000 0.283 140 L C 0.945 177.832 176.870 0.028 0.000 1.218 140 L CA -0.087 54.769 54.840 0.027 0.000 1.028 140 L CB 0.710 42.787 42.059 0.029 0.000 1.400 140 L HN 0.510 nan 8.230 nan 0.000 0.591 141 S N 0.856 116.573 115.700 0.029 0.000 3.614 141 S HA -0.148 4.322 4.470 0.001 0.000 0.360 141 S C 0.526 175.147 174.600 0.035 0.000 1.023 141 S CA 0.654 58.871 58.200 0.029 0.000 1.114 141 S CB -1.185 62.029 63.200 0.024 0.000 0.907 141 S HN 0.728 nan 8.310 nan 0.000 0.470 142 G N -0.234 108.591 108.800 0.042 0.000 3.108 142 G HA2 0.718 4.678 3.960 0.001 0.000 0.268 142 G HA3 0.718 4.678 3.960 0.001 0.000 0.268 142 G C -0.775 174.164 174.900 0.065 0.000 1.361 142 G CA -0.931 44.199 45.100 0.050 0.000 1.047 142 G HN 0.271 nan 8.290 nan 0.000 0.540 143 K N -1.046 119.404 120.400 0.083 0.000 2.258 143 K HA 0.747 5.068 4.320 0.001 0.000 0.236 143 K C -0.582 176.091 176.600 0.122 0.000 1.008 143 K CA -0.619 55.739 56.287 0.118 0.000 0.869 143 K CB 2.328 34.936 32.500 0.179 0.000 1.171 143 K HN 0.619 nan 8.250 nan 0.000 0.447 144 A N 0.720 123.635 122.820 0.158 0.000 2.413 144 A HA 0.639 4.959 4.320 0.001 0.000 0.307 144 A C -1.228 176.469 177.584 0.188 0.000 1.087 144 A CA -0.688 51.434 52.037 0.141 0.000 0.750 144 A CB 1.454 20.542 19.000 0.147 0.000 1.296 144 A HN 0.334 nan 8.150 nan 0.000 0.423 145 V N 1.753 121.727 119.914 0.100 0.000 2.409 145 V HA 0.316 4.436 4.120 0.001 0.000 0.291 145 V C -1.357 174.770 176.094 0.054 0.000 1.020 145 V CA -0.329 62.015 62.300 0.072 0.000 0.848 145 V CB 1.135 32.916 31.823 -0.070 0.000 0.990 145 V HN 0.772 nan 8.190 nan 0.000 0.430 146 Y N 5.884 126.145 120.300 -0.064 0.000 2.342 146 Y HA 0.624 5.174 4.550 0.001 0.000 0.338 146 Y C -0.147 175.611 175.900 -0.237 0.000 0.965 146 Y CA -0.867 57.166 58.100 -0.111 0.000 1.159 146 Y CB 1.248 39.622 38.460 -0.143 0.000 1.157 146 Y HN 0.545 nan 8.280 nan 0.000 0.486 147 I N 5.850 126.338 120.570 -0.137 0.000 2.330 147 I HA 0.177 4.347 4.170 0.001 0.000 0.286 147 I C -0.789 175.302 176.117 -0.043 0.000 1.025 147 I CA -0.572 60.639 61.300 -0.148 0.000 1.197 147 I CB 0.946 38.869 38.000 -0.128 0.000 1.358 147 I HN 0.508 nan 8.210 nan 0.000 0.467 148 D N 4.460 124.875 120.400 0.025 0.000 2.373 148 D HA 0.149 4.789 4.640 0.001 0.000 0.227 148 D C 1.121 177.501 176.300 0.134 0.000 1.091 148 D CA -0.360 53.786 54.000 0.244 0.000 0.840 148 D CB 1.407 42.508 40.800 0.501 0.000 1.060 148 D HN 0.624 nan 8.370 nan 0.000 0.502 149 T N 0.649 115.257 114.554 0.090 0.000 3.009 149 T HA 0.032 4.383 4.350 0.001 0.000 0.258 149 T C 1.070 175.767 174.700 -0.004 0.000 1.063 149 T CA 0.513 62.606 62.100 -0.012 0.000 1.139 149 T CB -0.025 68.709 68.868 -0.224 0.000 0.890 149 T HN 0.402 nan 8.240 nan 0.000 0.471 150 E N 0.834 121.080 120.200 0.077 0.000 2.481 150 E HA 0.371 4.721 4.350 0.001 0.000 0.198 150 E C 1.156 177.865 176.600 0.181 0.000 1.027 150 E CA 0.017 56.484 56.400 0.113 0.000 0.900 150 E CB 0.263 30.034 29.700 0.118 0.000 0.993 150 E HN 0.626 nan 8.360 nan 0.000 0.482 151 G N 2.269 111.213 108.800 0.239 0.000 2.198 151 G HA2 -0.308 3.653 3.960 0.001 0.000 0.257 151 G HA3 -0.308 3.653 3.960 0.001 0.000 0.257 151 G C 0.843 175.902 174.900 0.264 0.000 1.042 151 G CA 0.771 46.035 45.100 0.274 0.000 0.791 151 G HN 0.376 nan 8.290 nan 0.000 0.502 152 T N -2.495 112.239 114.554 0.300 0.000 3.122 152 T HA 0.448 4.798 4.350 0.001 0.000 0.250 152 T C 0.825 175.702 174.700 0.295 0.000 1.067 152 T CA 0.054 62.314 62.100 0.267 0.000 0.966 152 T CB 0.196 69.233 68.868 0.281 0.000 1.002 152 T HN 0.850 nan 8.240 nan 0.000 0.542 153 F N 3.547 123.614 119.950 0.196 0.000 2.578 153 F HA 0.418 4.945 4.527 0.001 0.000 0.376 153 F C 0.287 176.095 175.800 0.013 0.000 1.085 153 F CA -0.877 57.141 58.000 0.031 0.000 1.260 153 F CB 0.450 39.331 39.000 -0.200 0.000 1.095 153 F HN -0.099 nan 8.300 nan 0.000 0.573 154 R N 8.625 128.755 120.500 -0.617 0.000 2.422 154 R HA 0.026 4.366 4.340 0.001 0.000 0.307 154 R C 0.883 176.649 176.300 -0.890 0.000 1.004 154 R CA -0.470 55.235 56.100 -0.659 0.000 0.882 154 R CB 0.580 30.607 30.300 -0.456 0.000 1.164 154 R HN 1.014 nan 8.270 nan 0.000 0.489 155 W N 3.360 124.207 121.300 -0.754 0.000 2.350 155 W HA -0.185 4.476 4.660 0.001 0.000 0.289 155 W C 0.221 176.584 176.519 -0.260 0.000 1.215 155 W CA 0.820 57.892 57.345 -0.456 0.000 1.236 155 W CB -0.282 29.072 29.460 -0.176 0.000 1.130 155 W HN 0.439 nan 8.180 nan 0.000 0.541 156 E N 1.005 120.632 120.200 -0.956 0.000 2.085 156 E HA -0.198 4.153 4.350 0.001 0.000 0.194 156 E C 2.310 178.700 176.600 -0.350 0.000 0.994 156 E CA 2.132 58.052 56.400 -0.800 0.000 0.801 156 E CB -0.483 28.670 29.700 -0.911 0.000 0.743 156 E HN 0.264 nan 8.360 nan 0.000 0.453 157 R N 0.085 120.379 120.500 -0.343 0.000 2.075 157 R HA -0.058 4.282 4.340 0.001 0.000 0.232 157 R C 2.186 178.436 176.300 -0.082 0.000 1.126 157 R CA 0.940 56.902 56.100 -0.229 0.000 0.963 157 R CB -0.276 29.815 30.300 -0.348 0.000 0.858 157 R HN 0.197 nan 8.270 nan 0.000 0.435 158 I N 1.135 121.690 120.570 -0.025 0.000 2.179 158 I HA -0.257 3.913 4.170 0.001 0.000 0.242 158 I C 2.391 178.549 176.117 0.069 0.000 1.088 158 I CA 1.452 62.793 61.300 0.069 0.000 1.357 158 I CB -1.057 37.012 38.000 0.115 0.000 1.051 158 I HN 0.254 nan 8.210 nan 0.000 0.409 159 E N 1.428 121.679 120.200 0.086 0.000 2.038 159 E HA -0.254 4.096 4.350 0.001 0.000 0.195 159 E C 1.948 178.574 176.600 0.044 0.000 1.000 159 E CA 2.041 58.502 56.400 0.102 0.000 0.803 159 E CB -0.103 29.706 29.700 0.182 0.000 0.750 159 E HN 0.528 nan 8.360 nan 0.000 0.448 160 N N -0.581 118.118 118.700 -0.002 0.000 2.069 160 N HA -0.195 4.545 4.740 0.001 0.000 0.191 160 N C 1.953 177.460 175.510 -0.004 0.000 1.031 160 N CA 1.770 54.809 53.050 -0.018 0.000 0.852 160 N CB -0.138 38.314 38.487 -0.059 0.000 1.018 160 N HN 0.199 nan 8.380 nan 0.000 0.423 161 M N 0.580 120.181 119.600 0.002 0.000 2.117 161 M HA -0.111 4.369 4.480 0.001 0.000 0.262 161 M C 2.403 178.719 176.300 0.027 0.000 1.065 161 M CA 1.366 56.676 55.300 0.016 0.000 1.114 161 M CB -0.256 32.363 32.600 0.032 0.000 1.361 161 M HN 0.230 nan 8.290 nan 0.000 0.408 162 A N 0.367 123.210 122.820 0.039 0.000 1.933 162 A HA -0.212 4.108 4.320 0.001 0.000 0.218 162 A C 2.149 179.751 177.584 0.029 0.000 1.175 162 A CA 2.023 54.084 52.037 0.040 0.000 0.628 162 A CB -0.678 18.352 19.000 0.051 0.000 0.814 162 A HN 0.485 nan 8.150 nan 0.000 0.444 163 K N -0.193 120.223 120.400 0.026 0.000 2.026 163 K HA -0.055 4.265 4.320 0.001 0.000 0.208 163 K C 2.059 178.667 176.600 0.014 0.000 1.048 163 K CA 1.235 57.534 56.287 0.020 0.000 0.929 163 K CB -0.376 32.135 32.500 0.018 0.000 0.713 163 K HN 0.324 nan 8.250 nan 0.000 0.439 164 A N 0.870 123.697 122.820 0.011 0.000 2.076 164 A HA -0.091 4.229 4.320 0.001 0.000 0.220 164 A C 1.748 179.338 177.584 0.010 0.000 1.160 164 A CA 1.215 53.257 52.037 0.008 0.000 0.653 164 A CB -0.361 18.642 19.000 0.004 0.000 0.801 164 A HN 0.375 nan 8.150 nan 0.000 0.455 165 L N -1.439 119.792 121.223 0.014 0.000 2.728 165 L HA 0.280 4.621 4.340 0.001 0.000 0.238 165 L C 1.421 178.299 176.870 0.015 0.000 1.143 165 L CA 0.300 55.149 54.840 0.015 0.000 0.937 165 L CB -0.016 42.054 42.059 0.019 0.000 1.225 165 L HN 0.478 nan 8.230 nan 0.000 0.507 166 G N 1.224 110.032 108.800 0.014 0.000 2.283 166 G HA2 -0.279 3.682 3.960 0.001 0.000 0.280 166 G HA3 -0.279 3.682 3.960 0.001 0.000 0.280 166 G C 0.125 175.034 174.900 0.014 0.000 1.029 166 G CA 0.267 45.374 45.100 0.013 0.000 0.840 166 G HN 0.278 nan 8.290 nan 0.000 0.505 167 L N -0.607 120.627 121.223 0.018 0.000 2.431 167 L HA 0.458 4.799 4.340 0.001 0.000 0.260 167 L C 0.729 177.609 176.870 0.018 0.000 1.098 167 L CA -1.010 53.842 54.840 0.019 0.000 0.800 167 L CB 0.662 42.736 42.059 0.025 0.000 1.210 167 L HN 0.126 nan 8.230 nan 0.000 0.465 168 D N 1.315 121.724 120.400 0.015 0.000 2.344 168 D HA 0.052 4.693 4.640 0.001 0.000 0.253 168 D C 1.151 177.460 176.300 0.015 0.000 1.255 168 D CA -0.370 53.637 54.000 0.011 0.000 0.894 168 D CB 0.971 41.775 40.800 0.006 0.000 1.067 168 D HN 0.307 nan 8.370 nan 0.000 0.492 169 I N 3.762 124.344 120.570 0.019 0.000 2.087 169 I HA -0.312 3.859 4.170 0.001 0.000 0.240 169 I C 1.689 177.816 176.117 0.016 0.000 1.054 169 I CA 1.293 62.610 61.300 0.028 0.000 1.311 169 I CB -1.107 36.914 38.000 0.035 0.000 1.024 169 I HN 0.403 nan 8.210 nan 0.000 0.402 170 D N 0.639 121.037 120.400 -0.004 0.000 2.158 170 D HA -0.206 4.434 4.640 0.001 0.000 0.197 170 D C 2.012 178.302 176.300 -0.017 0.000 0.995 170 D CA 1.345 55.331 54.000 -0.022 0.000 0.846 170 D CB -0.471 40.309 40.800 -0.033 0.000 0.941 170 D HN 0.345 nan 8.370 nan 0.000 0.456 171 N N -0.260 118.435 118.700 -0.008 0.000 2.142 171 N HA -0.109 4.632 4.740 0.001 0.000 0.186 171 N C 1.646 177.158 175.510 0.003 0.000 1.023 171 N CA 0.610 53.656 53.050 -0.007 0.000 0.852 171 N CB -0.051 38.435 38.487 -0.001 0.000 0.998 171 N HN -0.041 nan 8.380 nan 0.000 0.424 172 V N 0.754 120.679 119.914 0.019 0.000 2.295 172 V HA -0.234 3.886 4.120 0.001 0.000 0.246 172 V C 2.265 178.385 176.094 0.044 0.000 1.049 172 V CA 1.648 63.970 62.300 0.038 0.000 1.024 172 V CB -0.447 31.408 31.823 0.052 0.000 0.648 172 V HN 0.409 nan 8.190 nan 0.000 0.447 173 M N -0.300 119.323 119.600 0.039 0.000 2.229 173 M HA -0.154 4.327 4.480 0.001 0.000 0.264 173 M C 2.118 178.415 176.300 -0.005 0.000 1.063 173 M CA 1.445 56.772 55.300 0.045 0.000 1.114 173 M CB -0.568 32.052 32.600 0.033 0.000 1.387 173 M HN 0.424 nan 8.290 nan 0.000 0.420 174 N N 0.398 119.078 118.700 -0.034 0.000 2.396 174 N HA -0.106 4.634 4.740 0.001 0.000 0.180 174 N C 0.575 176.016 175.510 -0.115 0.000 1.028 174 N CA 0.744 53.746 53.050 -0.081 0.000 0.893 174 N CB 0.110 38.554 38.487 -0.071 0.000 0.967 174 N HN 0.335 nan 8.380 nan 0.000 0.440 175 N N 0.391 119.059 118.700 -0.053 0.000 2.268 175 N HA 0.187 4.927 4.740 0.001 0.000 0.204 175 N C -0.706 174.813 175.510 0.015 0.000 1.124 175 N CA 0.173 53.202 53.050 -0.034 0.000 0.838 175 N CB 0.775 39.273 38.487 0.018 0.000 0.994 175 N HN 0.262 nan 8.380 nan 0.000 0.489 176 I N 1.122 121.693 120.570 0.002 0.000 2.411 176 I HA 0.206 4.377 4.170 0.001 0.000 0.284 176 I C -0.719 175.425 176.117 0.045 0.000 1.012 176 I CA -0.781 60.573 61.300 0.091 0.000 1.119 176 I CB 0.828 38.907 38.000 0.131 0.000 1.261 176 I HN -0.113 nan 8.210 nan 0.000 0.448 177 Y N 5.945 126.265 120.300 0.033 0.000 2.319 177 Y HA 0.290 4.841 4.550 0.001 0.000 0.328 177 Y C -0.305 175.604 175.900 0.016 0.000 1.133 177 Y CA 0.210 58.320 58.100 0.017 0.000 1.265 177 Y CB 0.657 39.112 38.460 -0.008 0.000 1.218 177 Y HN 0.432 nan 8.280 nan 0.000 0.508 178 Y N 4.053 124.368 120.300 0.025 0.000 2.524 178 Y HA 0.731 5.282 4.550 0.001 0.000 0.347 178 Y C -1.562 174.313 175.900 -0.042 0.000 1.005 178 Y CA -1.696 56.331 58.100 -0.123 0.000 1.025 178 Y CB 1.456 39.690 38.460 -0.377 0.000 1.275 178 Y HN 0.625 nan 8.280 nan 0.000 0.460 179 I N 5.120 125.028 120.570 -1.102 0.000 2.842 179 I HA 0.398 4.568 4.170 0.001 0.000 0.297 179 I C -1.825 173.789 176.117 -0.838 0.000 1.380 179 I CA -0.915 59.946 61.300 -0.732 0.000 1.018 179 I CB 1.512 39.345 38.000 -0.279 0.000 1.311 179 I HN 0.662 nan 8.210 nan 0.000 0.439 180 R N 5.524 125.808 120.500 -0.359 0.000 2.207 180 R HA 0.629 4.970 4.340 0.001 0.000 0.334 180 R C -0.956 175.341 176.300 -0.004 0.000 1.013 180 R CA -0.342 55.712 56.100 -0.078 0.000 0.858 180 R CB 1.283 31.691 30.300 0.180 0.000 1.094 180 R HN 0.667 nan 8.270 nan 0.000 0.457 181 A N 6.158 128.961 122.820 -0.030 0.000 2.404 181 A HA 0.245 4.566 4.320 0.001 0.000 0.273 181 A C 1.346 179.088 177.584 0.263 0.000 1.144 181 A CA -0.344 51.659 52.037 -0.057 0.000 0.806 181 A CB 0.124 19.097 19.000 -0.044 0.000 1.080 181 A HN 0.910 nan 8.150 nan 0.000 0.509 182 I N 1.284 122.074 120.570 0.366 0.000 2.584 182 I HA -0.002 4.168 4.170 0.001 0.000 0.255 182 I C 0.738 176.650 176.117 -0.342 0.000 1.145 182 I CA 0.767 62.152 61.300 0.142 0.000 1.462 182 I CB -0.253 37.816 38.000 0.114 0.000 1.102 182 I HN 0.911 nan 8.210 nan 0.000 0.433 183 N N -1.975 116.459 118.700 -0.443 0.000 3.308 183 N HA 0.017 4.758 4.740 0.001 0.000 0.276 183 N C 0.448 175.712 175.510 -0.410 0.000 1.533 183 N CA -0.002 52.576 53.050 -0.786 0.000 0.878 183 N CB 0.257 38.502 38.487 -0.404 0.000 1.566 183 N HN -0.128 nan 8.380 nan 0.000 0.546 184 T N -3.546 110.768 114.554 -0.400 0.000 2.788 184 T HA -0.125 4.225 4.350 0.001 0.000 0.268 184 T C 0.786 175.339 174.700 -0.244 0.000 1.044 184 T CA 1.679 63.498 62.100 -0.468 0.000 1.139 184 T CB -0.575 67.847 68.868 -0.743 0.000 0.867 184 T HN 0.441 nan 8.240 nan 0.000 0.454 185 D N 0.630 120.951 120.400 -0.131 0.000 2.104 185 D HA -0.155 4.486 4.640 0.001 0.000 0.194 185 D C 1.898 178.214 176.300 0.026 0.000 0.994 185 D CA 1.544 55.522 54.000 -0.037 0.000 0.830 185 D CB -0.595 40.190 40.800 -0.024 0.000 0.959 185 D HN 0.670 nan 8.370 nan 0.000 0.452 186 H N 0.524 119.533 119.070 -0.102 0.000 2.353 186 H HA -0.115 4.441 4.556 0.001 0.000 0.300 186 H C 2.227 177.535 175.328 -0.033 0.000 1.090 186 H CA 1.399 57.409 56.048 -0.063 0.000 1.327 186 H CB 0.296 30.014 29.762 -0.073 0.000 1.383 186 H HN 0.110 nan 8.280 nan 0.000 0.508 187 Q N 0.453 120.216 119.800 -0.061 0.000 2.096 187 Q HA -0.141 4.199 4.340 0.001 0.000 0.204 187 Q C 2.400 178.413 176.000 0.022 0.000 0.982 187 Q CA 1.788 57.543 55.803 -0.080 0.000 0.850 187 Q CB 0.061 28.744 28.738 -0.091 0.000 0.901 187 Q HN 0.546 nan 8.270 nan 0.000 0.422 188 I N 0.269 120.834 120.570 -0.010 0.000 2.226 188 I HA -0.259 3.911 4.170 0.001 0.000 0.245 188 I C 2.323 178.501 176.117 0.102 0.000 1.100 188 I CA 1.024 62.385 61.300 0.101 0.000 1.374 188 I CB -0.297 37.747 38.000 0.073 0.000 1.057 188 I HN 0.255 nan 8.210 nan 0.000 0.413 189 A N 0.673 123.534 122.820 0.068 0.000 1.930 189 A HA -0.143 4.177 4.320 0.001 0.000 0.217 189 A C 2.291 179.898 177.584 0.039 0.000 1.175 189 A CA 1.367 53.443 52.037 0.066 0.000 0.627 189 A CB -0.754 18.305 19.000 0.098 0.000 0.815 189 A HN 0.356 nan 8.150 nan 0.000 0.443 190 I N -0.464 120.105 120.570 -0.001 0.000 2.142 190 I HA -0.227 3.943 4.170 0.001 0.000 0.240 190 I C 2.353 178.454 176.117 -0.028 0.000 1.078 190 I CA 1.266 62.533 61.300 -0.054 0.000 1.343 190 I CB -0.288 37.616 38.000 -0.160 0.000 1.046 190 I HN 0.153 nan 8.210 nan 0.000 0.405 191 V N 0.594 120.523 119.914 0.026 0.000 2.392 191 V HA -0.343 3.778 4.120 0.001 0.000 0.249 191 V C 2.102 178.189 176.094 -0.011 0.000 1.059 191 V CA 2.302 64.606 62.300 0.007 0.000 1.051 191 V CB -0.703 31.149 31.823 0.048 0.000 0.658 191 V HN 0.469 nan 8.190 nan 0.000 0.455 192 D N 0.093 120.505 120.400 0.020 0.000 2.144 192 D HA -0.176 4.464 4.640 0.001 0.000 0.199 192 D C 1.682 177.968 176.300 -0.024 0.000 0.984 192 D CA 1.190 55.195 54.000 0.008 0.000 0.834 192 D CB -0.106 40.711 40.800 0.028 0.000 0.955 192 D HN 0.421 nan 8.370 nan 0.000 0.465 193 D N -0.414 119.968 120.400 -0.030 0.000 2.312 193 D HA -0.051 4.589 4.640 0.001 0.000 0.211 193 D C 2.072 178.311 176.300 -0.101 0.000 0.964 193 D CA 0.137 54.106 54.000 -0.052 0.000 0.877 193 D CB -0.087 40.689 40.800 -0.039 0.000 0.924 193 D HN 0.344 nan 8.370 nan 0.000 0.515 194 L N 0.478 121.630 121.223 -0.119 0.000 2.131 194 L HA -0.210 4.130 4.340 0.001 0.000 0.210 194 L C 2.382 179.104 176.870 -0.248 0.000 1.092 194 L CA 1.066 55.797 54.840 -0.181 0.000 0.759 194 L CB -0.329 41.630 42.059 -0.168 0.000 0.903 194 L HN 0.038 nan 8.230 nan 0.000 0.435 195 Q N -0.191 119.479 119.800 -0.215 0.000 2.061 195 Q HA -0.285 4.055 4.340 0.001 0.000 0.204 195 Q C 2.125 177.950 176.000 -0.291 0.000 0.984 195 Q CA 1.936 57.556 55.803 -0.305 0.000 0.846 195 Q CB -0.144 28.517 28.738 -0.128 0.000 0.902 195 Q HN 0.485 nan 8.270 nan 0.000 0.421 196 E N 0.453 120.553 120.200 -0.168 0.000 2.106 196 E HA -0.198 4.152 4.350 0.001 0.000 0.192 196 E C 1.962 178.467 176.600 -0.159 0.000 0.984 196 E CA 0.562 56.886 56.400 -0.127 0.000 0.806 196 E CB 0.018 29.674 29.700 -0.073 0.000 0.750 196 E HN 0.198 nan 8.360 nan 0.000 0.458 197 L N 0.694 121.801 121.223 -0.193 0.000 2.012 197 L HA -0.160 4.180 4.340 0.001 0.000 0.210 197 L C 2.431 179.142 176.870 -0.266 0.000 1.073 197 L CA 1.929 56.628 54.840 -0.235 0.000 0.748 197 L CB -0.540 41.334 42.059 -0.308 0.000 0.891 197 L HN 0.235 nan 8.230 nan 0.000 0.431 198 V N -3.235 116.484 119.914 -0.324 0.000 2.667 198 V HA -0.098 4.022 4.120 0.001 0.000 0.252 198 V C 2.518 178.464 176.094 -0.246 0.000 1.065 198 V CA 1.490 63.603 62.300 -0.311 0.000 1.083 198 V CB -1.280 30.290 31.823 -0.421 0.000 0.692 198 V HN 0.624 nan 8.190 nan 0.000 0.468 199 S N 1.076 116.616 115.700 -0.268 0.000 2.371 199 S HA -0.251 4.219 4.470 0.001 0.000 0.224 199 S C 2.158 176.731 174.600 -0.046 0.000 1.029 199 S CA 1.781 59.921 58.200 -0.100 0.000 0.978 199 S CB -0.484 62.682 63.200 -0.057 0.000 0.833 199 S HN 0.719 nan 8.310 nan 0.000 0.466 200 K N 0.671 121.030 120.400 -0.068 0.000 2.217 200 K HA -0.010 4.311 4.320 0.001 0.000 0.202 200 K C -0.119 176.471 176.600 -0.016 0.000 1.051 200 K CA 1.378 57.646 56.287 -0.032 0.000 0.952 200 K CB 0.057 32.536 32.500 -0.035 0.000 0.736 200 K HN 0.324 nan 8.250 nan 0.000 0.453 201 D N -0.176 120.199 120.400 -0.041 0.000 2.375 201 D HA 0.164 4.805 4.640 0.001 0.000 0.259 201 D C -2.237 174.057 176.300 -0.010 0.000 1.235 201 D CA -2.326 51.674 54.000 -0.000 0.000 0.924 201 D CB 1.662 42.488 40.800 0.044 0.000 1.143 201 D HN -0.032 nan 8.370 nan 0.000 0.529 202 P HA -0.059 nan 4.420 nan 0.000 0.242 202 P C 1.037 178.356 177.300 0.032 0.000 1.197 202 P CA 0.397 63.512 63.100 0.025 0.000 0.765 202 P CB 0.125 31.849 31.700 0.039 0.000 0.936 203 S N -0.934 114.790 115.700 0.040 0.000 2.522 203 S HA 0.013 4.484 4.470 0.001 0.000 0.227 203 S C 0.998 175.630 174.600 0.054 0.000 0.986 203 S CA -0.150 58.079 58.200 0.049 0.000 0.929 203 S CB -1.050 62.185 63.200 0.059 0.000 0.769 203 S HN 0.055 nan 8.310 nan 0.000 0.529 204 I N 2.433 123.027 120.570 0.040 0.000 2.587 204 I HA 0.117 4.287 4.170 0.001 0.000 0.284 204 I C 1.093 177.221 176.117 0.018 0.000 1.134 204 I CA -0.032 61.284 61.300 0.026 0.000 1.410 204 I CB 0.611 38.577 38.000 -0.057 0.000 1.392 204 I HN 0.129 nan 8.210 nan 0.000 0.545 205 K N 5.533 125.952 120.400 0.031 0.000 2.440 205 K HA 0.336 4.656 4.320 0.001 0.000 0.207 205 K C -0.553 176.062 176.600 0.024 0.000 1.112 205 K CA -0.082 56.222 56.287 0.029 0.000 1.036 205 K CB 0.859 33.380 32.500 0.035 0.000 0.935 205 K HN 0.398 nan 8.250 nan 0.000 0.564 206 L N 1.060 122.298 121.223 0.024 0.000 2.436 206 L HA 0.531 4.872 4.340 0.001 0.000 0.268 206 L C -1.467 175.402 176.870 -0.002 0.000 0.974 206 L CA -0.551 54.300 54.840 0.019 0.000 0.826 206 L CB 1.619 43.702 42.059 0.040 0.000 1.291 206 L HN -0.073 nan 8.230 nan 0.000 0.406 207 I N 5.503 126.058 120.570 -0.026 0.000 2.418 207 I HA 0.481 4.652 4.170 0.001 0.000 0.287 207 I C -0.928 175.140 176.117 -0.081 0.000 1.008 207 I CA -0.907 60.357 61.300 -0.060 0.000 1.104 207 I CB 1.986 39.939 38.000 -0.079 0.000 1.264 207 I HN 0.241 nan 8.210 nan 0.000 0.438 208 V N 7.161 126.987 119.914 -0.146 0.000 2.459 208 V HA 0.397 4.518 4.120 0.001 0.000 0.295 208 V C -0.161 175.769 176.094 -0.273 0.000 1.029 208 V CA -0.608 61.549 62.300 -0.237 0.000 0.874 208 V CB 2.251 33.797 31.823 -0.463 0.000 0.985 208 V HN 0.417 nan 8.190 nan 0.000 0.438 209 V N 3.757 123.569 119.914 -0.169 0.000 2.305 209 V HA 0.295 4.416 4.120 0.001 0.000 0.275 209 V C -0.357 175.700 176.094 -0.061 0.000 1.020 209 V CA -0.625 61.612 62.300 -0.104 0.000 0.811 209 V CB 1.407 33.217 31.823 -0.022 0.000 1.031 209 V HN 0.940 nan 8.190 nan 0.000 0.439 210 D N 2.707 123.053 120.400 -0.089 0.000 2.350 210 D HA 0.311 4.951 4.640 0.001 0.000 0.249 210 D C 0.732 177.076 176.300 0.073 0.000 1.119 210 D CA 0.634 54.644 54.000 0.017 0.000 0.886 210 D CB 0.953 41.803 40.800 0.083 0.000 1.195 210 D HN 0.589 nan 8.370 nan 0.000 0.437 211 S N 1.549 117.308 115.700 0.097 0.000 3.628 211 S HA -0.185 4.286 4.470 0.001 0.000 0.373 211 S C 1.215 175.865 174.600 0.084 0.000 0.968 211 S CA 0.429 58.686 58.200 0.096 0.000 1.215 211 S CB -1.405 61.847 63.200 0.087 0.000 0.912 211 S HN 0.521 nan 8.310 nan 0.000 0.495 212 V N 1.386 121.368 119.914 0.114 0.000 2.568 212 V HA -0.214 3.906 4.120 0.001 0.000 0.253 212 V C 2.278 178.530 176.094 0.264 0.000 1.072 212 V CA 2.664 65.070 62.300 0.177 0.000 1.084 212 V CB -0.438 31.482 31.823 0.161 0.000 0.676 212 V HN 1.009 nan 8.190 nan 0.000 0.469 213 T N -4.498 110.178 114.554 0.203 0.000 3.081 213 T HA 0.019 4.370 4.350 0.001 0.000 0.250 213 T C 1.919 176.776 174.700 0.262 0.000 1.100 213 T CA 1.000 63.262 62.100 0.270 0.000 1.038 213 T CB 0.142 69.094 68.868 0.140 0.000 0.962 213 T HN 0.347 nan 8.240 nan 0.000 0.516 214 S N 1.257 117.033 115.700 0.126 0.000 2.378 214 S HA -0.255 4.216 4.470 0.001 0.000 0.229 214 S C 1.950 176.591 174.600 0.068 0.000 1.052 214 S CA 1.657 59.876 58.200 0.032 0.000 1.084 214 S CB -0.542 62.581 63.200 -0.128 0.000 0.950 214 S HN 0.711 nan 8.310 nan 0.000 0.440 215 H N -0.876 118.228 119.070 0.056 0.000 2.470 215 H HA 0.086 4.642 4.556 0.001 0.000 0.289 215 H C 1.876 177.168 175.328 -0.060 0.000 1.033 215 H CA 0.875 56.884 56.048 -0.066 0.000 1.331 215 H CB -0.567 29.070 29.762 -0.207 0.000 1.414 215 H HN 0.498 nan 8.280 nan 0.000 0.545 216 F N 0.857 120.936 119.950 0.216 0.000 2.259 216 F HA -0.013 4.515 4.527 0.001 0.000 0.298 216 F C 2.598 178.546 175.800 0.247 0.000 1.088 216 F CA 0.627 58.782 58.000 0.257 0.000 1.358 216 F CB -0.011 39.081 39.000 0.153 0.000 1.040 216 F HN -0.027 nan 8.300 nan 0.000 0.505 217 R N 0.193 120.890 120.500 0.329 0.000 2.066 217 R HA -0.098 4.242 4.340 0.001 0.000 0.232 217 R C 2.495 178.885 176.300 0.150 0.000 1.131 217 R CA 1.218 57.446 56.100 0.213 0.000 0.955 217 R CB -0.831 29.561 30.300 0.154 0.000 0.851 217 R HN 0.274 nan 8.270 nan 0.000 0.432 218 A N 1.419 124.312 122.820 0.122 0.000 1.902 218 A HA -0.200 4.120 4.320 0.001 0.000 0.217 218 A C 1.824 179.391 177.584 -0.029 0.000 1.181 218 A CA 1.525 53.596 52.037 0.057 0.000 0.623 218 A CB -0.308 18.738 19.000 0.076 0.000 0.818 218 A HN 0.339 nan 8.150 nan 0.000 0.443 219 E N -2.283 117.866 120.200 -0.086 0.000 2.299 219 E HA -0.029 4.322 4.350 0.001 0.000 0.193 219 E C -0.614 175.541 176.600 -0.742 0.000 0.998 219 E CA 0.471 56.629 56.400 -0.402 0.000 0.851 219 E CB 0.051 29.453 29.700 -0.496 0.000 0.795 219 E HN 0.780 nan 8.360 nan 0.000 0.492 220 Y N 0.512 120.855 120.300 0.071 0.000 2.511 220 Y HA 0.256 4.807 4.550 0.001 0.000 0.356 220 Y C -2.381 173.559 175.900 0.066 0.000 1.002 220 Y CA -2.670 55.473 58.100 0.072 0.000 1.127 220 Y CB 0.675 39.197 38.460 0.103 0.000 1.137 220 Y HN -0.037 nan 8.280 nan 0.000 0.652 221 P HA 0.389 nan 4.420 nan 0.000 0.276 221 P C 0.409 177.751 177.300 0.071 0.000 1.244 221 P CA 0.226 63.371 63.100 0.076 0.000 0.801 221 P CB 1.825 33.547 31.700 0.037 0.000 1.006 222 G N 1.996 110.833 108.800 0.061 0.000 2.750 222 G HA2 -0.243 3.717 3.960 0.001 0.000 0.686 222 G HA3 -0.243 3.717 3.960 0.001 0.000 0.686 222 G C 0.589 175.520 174.900 0.053 0.000 1.395 222 G CA -0.447 44.682 45.100 0.049 0.000 0.918 222 G HN 0.451 nan 8.290 nan 0.000 0.594 223 R N 0.981 121.505 120.500 0.040 0.000 2.249 223 R HA -0.041 4.299 4.340 0.001 0.000 0.230 223 R C 2.629 178.951 176.300 0.035 0.000 1.121 223 R CA 1.939 58.059 56.100 0.034 0.000 0.997 223 R CB -0.200 30.114 30.300 0.025 0.000 0.867 223 R HN 0.879 nan 8.270 nan 0.000 0.465 224 E N -0.015 120.208 120.200 0.038 0.000 2.153 224 E HA -0.170 4.181 4.350 0.001 0.000 0.194 224 E C 0.474 177.104 176.600 0.050 0.000 0.988 224 E CA 1.108 57.530 56.400 0.038 0.000 0.811 224 E CB -0.179 29.543 29.700 0.036 0.000 0.746 224 E HN 0.271 nan 8.360 nan 0.000 0.466 225 N N 0.406 119.149 118.700 0.071 0.000 2.214 225 N HA 0.054 4.794 4.740 0.001 0.000 0.214 225 N C 1.419 176.983 175.510 0.090 0.000 1.132 225 N CA -0.081 53.031 53.050 0.103 0.000 0.856 225 N CB 0.469 39.055 38.487 0.165 0.000 1.020 225 N HN 0.128 nan 8.380 nan 0.000 0.509 226 L N 1.434 122.691 121.223 0.058 0.000 2.046 226 L HA -0.061 4.279 4.340 0.001 0.000 0.208 226 L C 2.109 178.985 176.870 0.010 0.000 1.077 226 L CA 1.567 56.430 54.840 0.038 0.000 0.747 226 L CB -0.582 41.491 42.059 0.024 0.000 0.896 226 L HN 0.108 nan 8.230 nan 0.000 0.432 227 A N -1.343 121.479 122.820 0.003 0.000 1.898 227 A HA -0.127 4.193 4.320 0.001 0.000 0.216 227 A C 2.233 179.795 177.584 -0.038 0.000 1.181 227 A CA 1.909 53.936 52.037 -0.018 0.000 0.620 227 A CB -1.032 17.961 19.000 -0.012 0.000 0.819 227 A HN 0.291 nan 8.150 nan 0.000 0.442 228 V N -0.091 119.805 119.914 -0.030 0.000 2.427 228 V HA -0.213 3.907 4.120 0.001 0.000 0.248 228 V C 2.607 178.602 176.094 -0.165 0.000 1.051 228 V CA 2.080 64.331 62.300 -0.081 0.000 1.048 228 V CB -0.810 30.983 31.823 -0.051 0.000 0.666 228 V HN 0.582 nan 8.190 nan 0.000 0.456 229 R N -0.364 120.077 120.500 -0.097 0.000 2.073 229 R HA -0.185 4.155 4.340 0.001 0.000 0.234 229 R C 2.483 178.695 176.300 -0.148 0.000 1.134 229 R CA 1.526 57.571 56.100 -0.091 0.000 0.952 229 R CB -0.175 30.175 30.300 0.083 0.000 0.850 229 R HN 0.435 nan 8.270 nan 0.000 0.433 230 Q N 0.221 119.957 119.800 -0.107 0.000 2.124 230 Q HA -0.210 4.130 4.340 0.001 0.000 0.202 230 Q C 1.968 177.881 176.000 -0.145 0.000 0.977 230 Q CA 1.305 57.034 55.803 -0.122 0.000 0.850 230 Q CB -0.262 28.428 28.738 -0.080 0.000 0.901 230 Q HN 0.386 nan 8.270 nan 0.000 0.429 231 Q N 1.060 120.783 119.800 -0.129 0.000 2.050 231 Q HA -0.136 4.205 4.340 0.001 0.000 0.202 231 Q C 1.701 177.618 176.000 -0.138 0.000 0.980 231 Q CA 1.471 57.204 55.803 -0.117 0.000 0.840 231 Q CB 0.076 28.758 28.738 -0.094 0.000 0.898 231 Q HN 0.323 nan 8.270 nan 0.000 0.424 232 K N 0.158 120.449 120.400 -0.183 0.000 2.155 232 K HA -0.117 4.203 4.320 0.001 0.000 0.203 232 K C 2.172 178.585 176.600 -0.310 0.000 1.052 232 K CA 0.866 57.054 56.287 -0.165 0.000 0.948 232 K CB -0.129 32.297 32.500 -0.124 0.000 0.728 232 K HN 0.112 nan 8.250 nan 0.000 0.448 233 L N 1.673 122.567 121.223 -0.548 0.000 2.056 233 L HA -0.108 4.232 4.340 0.001 0.000 0.207 233 L C 1.414 178.108 176.870 -0.292 0.000 1.078 233 L CA 1.728 56.124 54.840 -0.740 0.000 0.749 233 L CB -0.388 41.286 42.059 -0.642 0.000 0.901 233 L HN 0.086 nan 8.230 nan 0.000 0.433 234 N N 0.080 118.665 118.700 -0.191 0.000 2.309 234 N HA -0.197 4.543 4.740 0.001 0.000 0.182 234 N C 1.746 177.238 175.510 -0.030 0.000 1.018 234 N CA 1.190 54.182 53.050 -0.097 0.000 0.876 234 N CB -0.234 38.198 38.487 -0.091 0.000 0.972 234 N HN 0.489 nan 8.380 nan 0.000 0.434 235 K N 0.132 120.516 120.400 -0.026 0.000 2.103 235 K HA -0.121 4.199 4.320 0.001 0.000 0.204 235 K C 1.984 178.656 176.600 0.120 0.000 1.052 235 K CA 0.892 57.208 56.287 0.048 0.000 0.945 235 K CB -0.101 32.420 32.500 0.035 0.000 0.722 235 K HN 0.310 nan 8.250 nan 0.000 0.443 236 H N 0.729 119.787 119.070 -0.019 0.000 2.321 236 H HA -0.087 4.469 4.556 0.001 0.000 0.300 236 H C 2.096 177.429 175.328 0.009 0.000 1.087 236 H CA 1.631 57.694 56.048 0.025 0.000 1.319 236 H CB 0.079 29.870 29.762 0.048 0.000 1.379 236 H HN 0.162 nan 8.280 nan 0.000 0.501 237 L N -0.114 121.081 121.223 -0.046 0.000 2.083 237 L HA -0.210 4.130 4.340 0.001 0.000 0.209 237 L C 2.722 179.562 176.870 -0.049 0.000 1.083 237 L CA 1.515 56.296 54.840 -0.098 0.000 0.752 237 L CB -0.675 41.350 42.059 -0.058 0.000 0.899 237 L HN 0.387 nan 8.230 nan 0.000 0.433 238 H N -0.023 119.003 119.070 -0.073 0.000 2.353 238 H HA -0.168 4.388 4.556 0.001 0.000 0.300 238 H C 2.371 177.669 175.328 -0.050 0.000 1.090 238 H CA 1.643 57.659 56.048 -0.053 0.000 1.327 238 H CB 0.098 29.838 29.762 -0.037 0.000 1.383 238 H HN 0.214 nan 8.280 nan 0.000 0.508 239 Q N -0.068 119.685 119.800 -0.078 0.000 2.077 239 Q HA -0.170 4.171 4.340 0.001 0.000 0.206 239 Q C 2.499 178.400 176.000 -0.164 0.000 0.989 239 Q CA 1.887 57.622 55.803 -0.113 0.000 0.853 239 Q CB -0.133 28.585 28.738 -0.033 0.000 0.907 239 Q HN 0.517 nan 8.270 nan 0.000 0.418 240 L N 0.035 121.144 121.223 -0.190 0.000 2.056 240 L HA -0.187 4.154 4.340 0.001 0.000 0.207 240 L C 2.710 179.498 176.870 -0.138 0.000 1.078 240 L CA 1.686 56.422 54.840 -0.173 0.000 0.749 240 L CB -0.832 41.105 42.059 -0.203 0.000 0.901 240 L HN 0.380 nan 8.230 nan 0.000 0.433 241 T N -3.042 111.419 114.554 -0.155 0.000 2.788 241 T HA -0.161 4.189 4.350 0.001 0.000 0.268 241 T C 2.072 176.678 174.700 -0.157 0.000 1.044 241 T CA 0.595 62.612 62.100 -0.137 0.000 1.139 241 T CB -0.238 68.562 68.868 -0.114 0.000 0.867 241 T HN 0.147 nan 8.240 nan 0.000 0.454 242 R N 0.939 121.294 120.500 -0.241 0.000 2.092 242 R HA 0.205 4.546 4.340 0.001 0.000 0.231 242 R C 2.548 178.818 176.300 -0.049 0.000 1.119 242 R CA 0.691 56.679 56.100 -0.187 0.000 0.970 242 R CB -1.066 29.089 30.300 -0.241 0.000 0.864 242 R HN 0.447 nan 8.270 nan 0.000 0.440 243 L N 0.213 121.427 121.223 -0.015 0.000 1.994 243 L HA -0.189 4.152 4.340 0.001 0.000 0.208 243 L C 2.654 179.594 176.870 0.116 0.000 1.071 243 L CA 1.523 56.428 54.840 0.108 0.000 0.745 243 L CB -0.695 41.365 42.059 0.001 0.000 0.892 243 L HN 0.156 nan 8.230 nan 0.000 0.431 244 A N 0.048 122.877 122.820 0.015 0.000 1.873 244 A HA -0.283 4.037 4.320 0.001 0.000 0.218 244 A C 2.131 179.716 177.584 0.002 0.000 1.193 244 A CA 2.191 54.232 52.037 0.006 0.000 0.629 244 A CB -0.643 18.340 19.000 -0.027 0.000 0.826 244 A HN 0.495 nan 8.150 nan 0.000 0.447 245 E N -0.738 119.443 120.200 -0.032 0.000 2.072 245 E HA -0.092 4.259 4.350 0.001 0.000 0.191 245 E C 1.984 178.531 176.600 -0.088 0.000 0.985 245 E CA 1.239 57.606 56.400 -0.056 0.000 0.801 245 E CB -0.216 29.443 29.700 -0.069 0.000 0.750 245 E HN 0.399 nan 8.360 nan 0.000 0.452 246 V N 0.045 119.883 119.914 -0.126 0.000 2.407 246 V HA -0.193 3.927 4.120 0.001 0.000 0.245 246 V C 1.257 177.073 176.094 -0.463 0.000 1.041 246 V CA 1.488 63.603 62.300 -0.308 0.000 1.040 246 V CB -0.321 31.268 31.823 -0.390 0.000 0.671 246 V HN 0.289 nan 8.190 nan 0.000 0.455 247 Y N -0.599 119.674 120.300 -0.045 0.000 2.468 247 Y HA 0.302 4.852 4.550 0.001 0.000 0.268 247 Y C 0.875 176.755 175.900 -0.033 0.000 1.177 247 Y CA -0.115 57.962 58.100 -0.038 0.000 1.265 247 Y CB -0.043 38.390 38.460 -0.045 0.000 1.103 247 Y HN 0.328 nan 8.280 nan 0.000 0.522 248 D N 1.175 121.606 120.400 0.050 0.000 2.746 248 D HA -0.207 4.433 4.640 0.001 0.000 0.241 248 D C -0.777 175.550 176.300 0.045 0.000 1.140 248 D CA 0.570 54.588 54.000 0.029 0.000 0.707 248 D CB -1.167 39.642 40.800 0.015 0.000 1.034 248 D HN 0.368 nan 8.370 nan 0.000 0.423 249 I N -0.326 120.271 120.570 0.045 0.000 2.892 249 I HA 0.684 4.855 4.170 0.001 0.000 0.306 249 I C 0.460 176.586 176.117 0.015 0.000 1.078 249 I CA -1.228 60.091 61.300 0.031 0.000 1.032 249 I CB 2.012 40.029 38.000 0.028 0.000 1.229 249 I HN 0.204 nan 8.210 nan 0.000 0.435 250 A N 4.411 127.239 122.820 0.014 0.000 2.274 250 A HA 0.695 5.016 4.320 0.001 0.000 0.309 250 A C -0.713 176.874 177.584 0.005 0.000 1.226 250 A CA -0.402 51.643 52.037 0.014 0.000 0.853 250 A CB 0.700 19.716 19.000 0.028 0.000 1.146 250 A HN 0.407 nan 8.150 nan 0.000 0.518 251 V N 4.545 124.457 119.914 -0.003 0.000 2.417 251 V HA 0.371 4.492 4.120 0.001 0.000 0.291 251 V C -0.555 175.541 176.094 0.003 0.000 1.024 251 V CA -0.537 61.753 62.300 -0.017 0.000 0.861 251 V CB 1.351 33.149 31.823 -0.042 0.000 0.985 251 V HN 0.709 nan 8.190 nan 0.000 0.436 252 I N 6.196 126.774 120.570 0.013 0.000 2.404 252 I HA 0.561 4.732 4.170 0.001 0.000 0.293 252 I C -0.062 176.076 176.117 0.035 0.000 0.992 252 I CA -0.654 60.685 61.300 0.065 0.000 1.149 252 I CB 1.608 39.679 38.000 0.118 0.000 1.315 252 I HN 0.601 nan 8.210 nan 0.000 0.446 253 I N 2.731 123.338 120.570 0.062 0.000 2.740 253 I HA 0.875 5.046 4.170 0.001 0.000 0.303 253 I C -0.059 176.135 176.117 0.128 0.000 1.044 253 I CA -0.520 60.814 61.300 0.057 0.000 1.064 253 I CB 2.401 40.419 38.000 0.030 0.000 1.249 253 I HN 0.610 nan 8.210 nan 0.000 0.433 254 T N 0.385 115.015 114.554 0.126 0.000 2.906 254 T HA 0.579 4.929 4.350 0.001 0.000 0.295 254 T C -0.786 174.010 174.700 0.160 0.000 1.075 254 T CA -0.877 61.333 62.100 0.184 0.000 1.005 254 T CB 1.969 70.946 68.868 0.182 0.000 1.136 254 T HN 0.714 nan 8.240 nan 0.000 0.498 255 N N 1.068 119.889 118.700 0.201 0.000 2.287 255 N HA 0.281 5.021 4.740 0.001 0.000 0.289 255 N C -1.587 174.050 175.510 0.211 0.000 1.066 255 N CA -0.578 52.579 53.050 0.178 0.000 0.841 255 N CB 2.881 41.452 38.487 0.140 0.000 1.599 255 N HN 0.776 nan 8.380 nan 0.000 0.476 256 Q N 1.750 121.654 119.800 0.174 0.000 2.331 256 Q HA 0.603 4.944 4.340 0.001 0.000 0.257 256 Q C -1.181 174.922 176.000 0.172 0.000 0.957 256 Q CA -0.341 55.569 55.803 0.179 0.000 0.923 256 Q CB 0.903 29.746 28.738 0.176 0.000 1.212 256 Q HN 0.365 nan 8.270 nan 0.000 0.443 282 G N -0.301 108.494 108.800 -0.009 0.000 2.838 282 G HA2 0.357 4.318 3.960 0.001 0.000 0.118 282 G HA3 0.357 4.318 3.960 0.001 0.000 0.118 282 G C -1.360 173.553 174.900 0.021 0.000 1.028 282 G CA -0.057 45.045 45.100 0.004 0.000 1.360 282 G HN 0.242 nan 8.290 nan 0.000 0.575 283 I N 1.364 121.928 120.570 -0.010 0.000 2.582 283 I HA 0.570 4.741 4.170 0.001 0.000 0.292 283 I C -0.742 175.323 176.117 -0.088 0.000 1.066 283 I CA -0.758 60.520 61.300 -0.038 0.000 1.053 283 I CB 2.445 40.413 38.000 -0.054 0.000 1.241 283 I HN 0.140 nan 8.210 nan 0.000 0.421 284 R N 6.390 126.855 120.500 -0.059 0.000 2.476 284 R HA 0.654 4.995 4.340 0.001 0.000 0.305 284 R C -1.414 174.883 176.300 -0.004 0.000 0.965 284 R CA -0.910 55.192 56.100 0.004 0.000 0.867 284 R CB 2.171 32.535 30.300 0.108 0.000 1.176 284 R HN 0.334 nan 8.270 nan 0.000 0.447 285 I N 2.392 122.890 120.570 -0.120 0.000 2.465 285 I HA 0.271 4.441 4.170 0.001 0.000 0.291 285 I C 0.110 176.044 176.117 -0.306 0.000 1.014 285 I CA -0.883 60.312 61.300 -0.177 0.000 1.093 285 I CB 1.645 39.475 38.000 -0.282 0.000 1.267 285 I HN 0.563 nan 8.210 nan 0.000 0.431 286 Q N 5.802 125.347 119.800 -0.425 0.000 2.241 286 Q HA 0.698 5.038 4.340 0.001 0.000 0.254 286 Q C -1.701 174.114 176.000 -0.308 0.000 0.917 286 Q CA -0.591 54.711 55.803 -0.835 0.000 0.919 286 Q CB 1.685 30.009 28.738 -0.689 0.000 1.237 286 Q HN 0.603 nan 8.270 nan 0.000 0.434 287 L N 3.279 124.355 121.223 -0.245 0.000 2.365 287 L HA 0.615 4.956 4.340 0.001 0.000 0.273 287 L C -0.584 176.240 176.870 -0.077 0.000 1.000 287 L CA -0.782 54.036 54.840 -0.037 0.000 0.819 287 L CB 1.971 44.080 42.059 0.084 0.000 1.284 287 L HN 0.538 nan 8.230 nan 0.000 0.418 288 K N 2.113 122.473 120.400 -0.066 0.000 2.375 288 K HA 0.493 4.813 4.320 0.001 0.000 0.249 288 K C -1.076 175.468 176.600 -0.093 0.000 0.942 288 K CA -1.070 55.178 56.287 -0.065 0.000 0.806 288 K CB 2.941 35.409 32.500 -0.052 0.000 1.227 288 K HN 0.401 nan 8.250 nan 0.000 0.430 289 K N 1.027 121.384 120.400 -0.072 0.000 2.270 289 K HA 0.129 4.449 4.320 0.001 0.000 0.276 289 K C 0.082 176.629 176.600 -0.089 0.000 1.023 289 K CA 0.120 56.353 56.287 -0.090 0.000 0.955 289 K CB 1.293 33.763 32.500 -0.051 0.000 0.975 289 K HN 0.524 nan 8.250 nan 0.000 0.471 290 S N 1.751 117.383 115.700 -0.114 0.000 2.841 290 S HA 0.301 4.771 4.470 0.001 0.000 0.274 290 S C -0.683 173.872 174.600 -0.076 0.000 1.044 290 S CA -0.832 57.312 58.200 -0.093 0.000 0.952 290 S CB 0.798 63.927 63.200 -0.118 0.000 1.331 290 S HN 0.636 nan 8.310 nan 0.000 0.610 291 R N 0.506 120.966 120.500 -0.067 0.000 2.296 291 R HA 0.449 4.789 4.340 0.001 0.000 0.323 291 R C 0.905 177.170 176.300 -0.058 0.000 1.067 291 R CA 1.106 57.175 56.100 -0.053 0.000 0.946 291 R CB -0.700 29.575 30.300 -0.042 0.000 0.991 291 R HN 0.964 nan 8.270 nan 0.000 0.448 292 G N 4.579 113.349 108.800 -0.050 0.000 2.536 292 G HA2 -0.443 3.518 3.960 0.001 0.000 0.280 292 G HA3 -0.443 3.518 3.960 0.001 0.000 0.280 292 G C 0.350 175.211 174.900 -0.065 0.000 1.152 292 G CA 0.419 45.490 45.100 -0.049 0.000 0.970 292 G HN 0.879 nan 8.290 nan 0.000 0.549 293 N N 0.730 119.388 118.700 -0.069 0.000 2.383 293 N HA 0.103 4.844 4.740 0.001 0.000 0.192 293 N C 0.723 176.153 175.510 -0.134 0.000 1.141 293 N CA -0.091 52.908 53.050 -0.086 0.000 0.851 293 N CB 0.104 38.553 38.487 -0.063 0.000 0.976 293 N HN 0.628 nan 8.380 nan 0.000 0.465 294 R N 1.151 121.567 120.500 -0.140 0.000 2.490 294 R HA 0.322 4.663 4.340 0.001 0.000 0.280 294 R C -0.120 176.001 176.300 -0.298 0.000 1.077 294 R CA -0.237 55.743 56.100 -0.200 0.000 1.065 294 R CB 0.679 30.898 30.300 -0.136 0.000 1.003 294 R HN 0.167 nan 8.270 nan 0.000 0.470 295 R N 2.007 122.193 120.500 -0.524 0.000 2.795 295 R HA 0.509 4.849 4.340 0.001 0.000 0.275 295 R C -0.440 175.509 176.300 -0.584 0.000 0.981 295 R CA -0.900 54.811 56.100 -0.649 0.000 0.917 295 R CB 1.835 31.495 30.300 -1.065 0.000 1.202 295 R HN 0.549 nan 8.270 nan 0.000 0.469 296 I N 1.338 121.729 120.570 -0.299 0.000 2.389 296 I HA 0.417 4.588 4.170 0.001 0.000 0.288 296 I C -0.165 175.979 176.117 0.045 0.000 0.999 296 I CA -0.838 60.405 61.300 -0.096 0.000 1.129 296 I CB 2.012 39.975 38.000 -0.061 0.000 1.288 296 I HN 0.542 nan 8.210 nan 0.000 0.444 297 A N 7.097 130.029 122.820 0.186 0.000 2.288 297 A HA 0.737 5.058 4.320 0.001 0.000 0.320 297 A C -0.395 177.244 177.584 0.092 0.000 1.217 297 A CA -0.560 51.604 52.037 0.211 0.000 0.840 297 A CB 0.859 20.063 19.000 0.339 0.000 1.179 297 A HN 0.814 nan 8.150 nan 0.000 0.504 298 R N 2.850 123.368 120.500 0.030 0.000 2.513 298 R HA 0.546 4.886 4.340 0.001 0.000 0.301 298 R C -1.541 174.749 176.300 -0.017 0.000 0.968 298 R CA -0.487 55.614 56.100 0.003 0.000 0.872 298 R CB 1.577 31.872 30.300 -0.008 0.000 1.177 298 R HN 0.462 nan 8.270 nan 0.000 0.444 299 V N 5.458 125.364 119.914 -0.015 0.000 2.529 299 V HA 0.004 4.124 4.120 0.001 0.000 0.292 299 V C 0.860 176.953 176.094 -0.002 0.000 1.028 299 V CA 0.170 62.453 62.300 -0.028 0.000 1.074 299 V CB 1.317 33.112 31.823 -0.046 0.000 0.958 299 V HN 0.757 nan 8.190 nan 0.000 0.481 300 V N 2.591 122.520 119.914 0.026 0.000 3.212 300 V HA 0.239 4.359 4.120 0.001 0.000 0.244 300 V C 0.250 176.370 176.094 0.044 0.000 1.151 300 V CA 0.793 63.134 62.300 0.068 0.000 1.119 300 V CB 0.484 32.418 31.823 0.186 0.000 0.838 300 V HN 0.970 nan 8.190 nan 0.000 0.470 301 D N 0.227 120.641 120.400 0.023 0.000 2.470 301 D HA 0.589 5.229 4.640 0.001 0.000 0.233 301 D C -0.765 175.524 176.300 -0.017 0.000 1.372 301 D CA 0.403 54.407 54.000 0.006 0.000 0.994 301 D CB 1.453 42.261 40.800 0.014 0.000 1.377 301 D HN 0.199 nan 8.370 nan 0.000 0.586 302 A N 4.719 127.518 122.820 -0.035 0.000 2.730 302 A HA 0.421 4.741 4.320 0.001 0.000 0.280 302 A C -2.267 175.266 177.584 -0.084 0.000 1.307 302 A CA -0.693 51.301 52.037 -0.073 0.000 0.933 302 A CB 0.722 19.611 19.000 -0.185 0.000 1.431 302 A HN 0.351 nan 8.150 nan 0.000 0.601 303 P HA -0.264 nan 4.420 nan 0.000 0.219 303 P C 1.240 178.574 177.300 0.057 0.000 1.151 303 P CA 2.100 65.226 63.100 0.044 0.000 0.850 303 P CB -0.067 31.676 31.700 0.072 0.000 0.784 304 H N -2.549 116.516 119.070 -0.009 0.000 2.548 304 H HA 0.177 4.733 4.556 0.001 0.000 0.265 304 H C 0.506 175.830 175.328 -0.006 0.000 0.969 304 H CA 0.102 56.145 56.048 -0.007 0.000 1.155 304 H CB -0.634 29.123 29.762 -0.008 0.000 1.394 304 H HN 0.149 nan 8.280 nan 0.000 0.570 305 L N 2.445 123.409 121.223 -0.431 0.000 2.309 305 L HA 0.390 4.730 4.340 0.001 0.000 0.282 305 L C -2.345 174.444 176.870 -0.136 0.000 1.036 305 L CA -2.227 52.434 54.840 -0.299 0.000 0.806 305 L CB 1.661 43.505 42.059 -0.360 0.000 1.220 305 L HN -0.086 nan 8.230 nan 0.000 0.429 306 P HA 0.014 nan 4.420 nan 0.000 0.268 306 P C -0.870 176.404 177.300 -0.043 0.000 1.205 306 P CA -0.202 62.872 63.100 -0.044 0.000 0.771 306 P CB 0.425 32.109 31.700 -0.026 0.000 0.858 307 E N 1.767 121.949 120.200 -0.029 0.000 2.338 307 E HA 0.562 4.913 4.350 0.001 0.000 0.272 307 E C 0.813 177.406 176.600 -0.013 0.000 1.029 307 E CA 0.103 56.489 56.400 -0.022 0.000 0.872 307 E CB 0.597 30.289 29.700 -0.013 0.000 1.015 307 E HN 0.668 nan 8.360 nan 0.000 0.417 308 G N 1.572 110.367 108.800 -0.009 0.000 2.320 308 G HA2 0.341 4.302 3.960 0.001 0.000 0.297 308 G HA3 0.341 4.302 3.960 0.001 0.000 0.297 308 G C -1.557 173.347 174.900 0.006 0.000 1.344 308 G CA -0.726 44.373 45.100 -0.000 0.000 0.851 308 G HN 0.486 nan 8.290 nan 0.000 0.567 309 E N -1.872 118.337 120.200 0.014 0.000 2.393 309 E HA 0.787 5.137 4.350 0.001 0.000 0.273 309 E C -0.572 176.051 176.600 0.038 0.000 0.918 309 E CA -1.118 55.299 56.400 0.027 0.000 0.773 309 E CB 2.716 32.428 29.700 0.020 0.000 1.275 309 E HN 1.509 nan 8.360 nan 0.000 0.451 310 V N -1.732 118.222 119.914 0.066 0.000 3.167 310 V HA 0.768 4.888 4.120 0.001 0.000 0.310 310 V C -1.038 175.120 176.094 0.107 0.000 1.207 310 V CA -0.872 61.476 62.300 0.080 0.000 1.059 310 V CB 1.742 33.620 31.823 0.092 0.000 1.079 310 V HN 0.573 nan 8.190 nan 0.000 0.446 311 V N 2.255 122.227 119.914 0.097 0.000 2.555 311 V HA 0.813 4.934 4.120 0.001 0.000 0.302 311 V C -0.397 175.784 176.094 0.146 0.000 1.038 311 V CA -0.163 62.171 62.300 0.058 0.000 0.887 311 V CB 1.335 33.153 31.823 -0.007 0.000 0.991 311 V HN 1.124 nan 8.190 nan 0.000 0.434 312 F N 2.435 122.373 119.950 -0.021 0.000 2.726 312 F HA 1.021 5.548 4.527 0.000 0.000 0.324 312 F C -0.434 175.346 175.800 -0.033 0.000 1.140 312 F CA -1.160 56.825 58.000 -0.025 0.000 0.964 312 F CB 1.625 40.608 39.000 -0.028 0.000 1.399 312 F HN 0.623 nan 8.300 nan 0.000 0.491 313 A N 1.138 124.018 122.820 0.100 0.000 2.498 313 A HA 0.754 5.075 4.320 0.001 0.000 0.298 313 A C -1.844 175.782 177.584 0.070 0.000 1.075 313 A CA -0.897 51.114 52.037 -0.043 0.000 0.714 313 A CB 1.579 20.565 19.000 -0.024 0.000 1.299 313 A HN 0.855 nan 8.150 nan 0.000 0.407 314 L N 2.705 123.916 121.223 -0.019 0.000 2.259 314 L HA 0.468 4.809 4.340 0.001 0.000 0.288 314 L C 0.621 177.480 176.870 -0.019 0.000 1.051 314 L CA -0.292 54.550 54.840 0.004 0.000 0.824 314 L CB 0.965 43.000 42.059 -0.039 0.000 1.206 314 L HN 0.948 nan 8.230 nan 0.000 0.429 315 T N -2.058 112.492 114.554 -0.007 0.000 2.927 315 T HA 0.300 4.651 4.350 0.001 0.000 0.286 315 T C 0.836 175.519 174.700 -0.028 0.000 1.040 315 T CA -0.817 61.272 62.100 -0.018 0.000 1.010 315 T CB 1.732 70.597 68.868 -0.006 0.000 1.177 315 T HN 0.554 nan 8.240 nan 0.000 0.546 316 E N 0.139 120.320 120.200 -0.032 0.000 2.265 316 E HA -0.124 4.227 4.350 0.001 0.000 0.196 316 E C 1.541 178.120 176.600 -0.035 0.000 0.996 316 E CA 1.026 57.401 56.400 -0.041 0.000 0.832 316 E CB 0.081 29.758 29.700 -0.037 0.000 0.756 316 E HN 0.700 nan 8.360 nan 0.000 0.491 317 E N 0.226 120.413 120.200 -0.022 0.000 2.478 317 E HA 0.113 4.463 4.350 0.001 0.000 0.194 317 E C 0.898 177.492 176.600 -0.010 0.000 1.045 317 E CA 0.367 56.758 56.400 -0.014 0.000 0.868 317 E CB 0.822 30.518 29.700 -0.006 0.000 0.885 317 E HN 0.223 nan 8.360 nan 0.000 0.505 318 G N 1.077 109.870 108.800 -0.013 0.000 2.270 318 G HA2 -0.098 3.863 3.960 0.001 0.000 0.268 318 G HA3 -0.098 3.863 3.960 0.001 0.000 0.268 318 G C -1.152 173.754 174.900 0.010 0.000 1.312 318 G CA -0.946 44.149 45.100 -0.007 0.000 1.050 318 G HN -0.002 nan 8.290 nan 0.000 0.474 319 I N 2.022 122.598 120.570 0.010 0.000 2.452 319 I HA 0.484 4.655 4.170 0.001 0.000 0.287 319 I C 0.655 176.792 176.117 0.033 0.000 1.079 319 I CA 0.157 61.477 61.300 0.033 0.000 1.387 319 I CB 0.617 38.581 38.000 -0.060 0.000 1.404 319 I HN 0.448 nan 8.210 nan 0.000 0.522 320 R N 3.521 124.071 120.500 0.085 0.000 2.846 320 R HA 0.411 4.751 4.340 0.001 0.000 0.263 320 R C -0.993 175.368 176.300 0.103 0.000 1.080 320 R CA -0.979 55.158 56.100 0.062 0.000 0.961 320 R CB 0.944 31.267 30.300 0.038 0.000 1.231 320 R HN 0.410 nan 8.270 nan 0.000 0.465 321 D N 0.643 121.085 120.400 0.069 0.000 2.344 321 D HA 0.289 4.930 4.640 0.001 0.000 0.244 321 D C -0.226 176.109 176.300 0.060 0.000 1.134 321 D CA 0.065 54.112 54.000 0.080 0.000 0.930 321 D CB 0.949 41.779 40.800 0.050 0.000 1.175 321 D HN 0.501 nan 8.370 nan 0.000 0.437 322 A N 1.933 124.784 122.820 0.051 0.000 2.451 322 A HA 0.163 4.483 4.320 0.001 0.000 0.266 322 A C 0.603 178.192 177.584 0.009 0.000 1.119 322 A CA -0.054 51.992 52.037 0.014 0.000 0.786 322 A CB 0.211 19.207 19.000 -0.007 0.000 1.061 322 A HN 0.422 nan 8.150 nan 0.000 0.503 323 E N 0.000 120.201 120.200 0.001 0.000 2.725 323 E HA 0.000 4.350 4.350 0.001 0.000 0.291 323 E CA 0.000 56.400 56.400 -0.000 0.000 0.976 323 E CB 0.000 29.699 29.700 -0.002 0.000 0.812 323 E HN 0.000 nan 8.360 nan 0.000 0.440