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 3kwv_1_B DATA FIRST_RESID 174 DATA SEQUENCE TVPDRDNDGI PDSLEVEGYT VDVKNKRTFL SPWISNIHEK KGLTKYKSSP DATA SEQUENCE EKWSTASDPY SDFEKVTGRI DKNVSPEARH PLVAAYPIVH VDMENIILSK DATA SEQUENCE NXXXXXXXXX XXTRTISKNT STSRTHTSEP GXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XSNSNSSTVA IDHSLSXXXX XTWAETMGLN TADTARLNAN IRYVNTGTAP DATA SEQUENCE IYNVLPTTSL VLGKNQTLAT IKAKENQLSQ ILAPNNYYPS KNLAPIALNA DATA SEQUENCE QDDFSSTPIT MNYNQFLELE KTKQLRLDTD QVYGNIATYN FENGRVRVDT DATA SEQUENCE GSNWSEVLPQ IQETTARIIF NGKDLNLVER RIAAVNPSDP LETTKPDMTL DATA SEQUENCE KEALKIAFGF NEPNGNLQYQ GKDITEFDFN FDQQTSQNIK NQLAELNATN DATA SEQUENCE IYTVLDKIKL NAKMNILIRD KRFHYDRNNI AVGADESVVK EAHREVINSS DATA SEQUENCE TEGLLLNIDK DIRKILSGYI VEIEDTEGLK EVINDRYDML NISSLRQDGK DATA SEQUENCE TFIDFKKYND KLPLYISNPN YKVNVYAVTK ENTIINPSEN GDTSTNGIKK DATA SEQUENCE ILIFSKKGYE IG 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 174 T HA 0.000 nan 4.350 nan 0.000 0.228 174 T C 0.000 174.690 174.700 -0.017 0.000 1.109 174 T CA 0.000 62.089 62.100 -0.019 0.000 1.349 174 T CB 0.000 68.860 68.868 -0.014 0.000 0.612 175 V N 3.482 123.383 119.914 -0.021 0.000 2.394 175 V HA 0.559 4.679 4.120 -0.000 0.000 0.282 175 V C -2.336 173.745 176.094 -0.022 0.000 1.031 175 V CA -1.869 60.420 62.300 -0.018 0.000 0.881 175 V CB 0.884 32.696 31.823 -0.019 0.000 0.982 175 V HN 0.197 nan 8.190 nan 0.000 0.451 176 P HA 0.123 nan 4.420 nan 0.000 0.258 176 P C -0.620 176.669 177.300 -0.020 0.000 1.187 176 P CA 0.361 63.453 63.100 -0.014 0.000 0.767 176 P CB 0.159 31.856 31.700 -0.006 0.000 0.770 177 D N 2.492 122.877 120.400 -0.024 0.000 2.513 177 D HA 0.128 4.768 4.640 -0.000 0.000 0.295 177 D C 1.049 177.342 176.300 -0.011 0.000 1.202 177 D CA -0.433 53.550 54.000 -0.028 0.000 0.849 177 D CB 0.200 40.970 40.800 -0.050 0.000 1.116 177 D HN 0.014 nan 8.370 nan 0.000 0.502 178 R N 0.312 120.812 120.500 -0.000 0.000 2.103 178 R HA -0.146 4.194 4.340 -0.000 0.000 0.242 178 R C 0.916 177.231 176.300 0.026 0.000 1.142 178 R CA 1.928 58.034 56.100 0.009 0.000 0.960 178 R CB -0.062 30.246 30.300 0.013 0.000 0.858 178 R HN 0.383 nan 8.270 nan 0.000 0.439 179 D N -1.196 119.233 120.400 0.048 0.000 2.349 179 D HA -0.040 4.600 4.640 -0.000 0.000 0.215 179 D C -0.156 176.237 176.300 0.155 0.000 1.016 179 D CA 0.127 54.189 54.000 0.104 0.000 0.870 179 D CB -0.386 40.491 40.800 0.128 0.000 0.917 179 D HN 0.220 nan 8.370 nan 0.000 0.524 180 N N 0.030 118.779 118.700 0.082 0.000 2.753 180 N HA -0.223 4.517 4.740 -0.000 0.000 0.251 180 N C -0.137 175.453 175.510 0.133 0.000 1.097 180 N CA 0.947 54.038 53.050 0.068 0.000 0.786 180 N CB -1.132 37.383 38.487 0.047 0.000 1.137 180 N HN 0.456 nan 8.380 nan 0.000 0.566 181 D N -0.772 119.693 120.400 0.108 0.000 2.269 181 D HA 0.079 4.719 4.640 -0.000 0.000 0.208 181 D C 1.634 177.833 176.300 -0.167 0.000 0.963 181 D CA 1.505 55.487 54.000 -0.030 0.000 0.864 181 D CB -0.364 40.326 40.800 -0.183 0.000 0.936 181 D HN 0.540 nan 8.370 nan 0.000 0.505 182 G N -0.319 108.359 108.800 -0.203 0.000 2.229 182 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.189 182 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.189 182 G C 0.002 174.779 174.900 -0.205 0.000 1.000 182 G CA -0.059 44.805 45.100 -0.393 0.000 0.663 182 G HN 0.352 nan 8.290 nan 0.000 0.493 183 I N 2.442 122.946 120.570 -0.111 0.000 2.354 183 I HA 0.321 4.491 4.170 -0.000 0.000 0.286 183 I C -2.225 173.818 176.117 -0.123 0.000 1.007 183 I CA -2.353 58.868 61.300 -0.132 0.000 1.167 183 I CB 1.854 39.691 38.000 -0.271 0.000 1.320 183 I HN -0.182 nan 8.210 nan 0.000 0.458 184 P HA -0.065 nan 4.420 nan 0.000 0.264 184 P C 0.020 177.292 177.300 -0.047 0.000 1.173 184 P CA 0.272 63.336 63.100 -0.059 0.000 0.761 184 P CB 0.649 32.324 31.700 -0.040 0.000 0.794 185 D N 1.123 121.510 120.400 -0.021 0.000 2.106 185 D HA -0.184 4.456 4.640 -0.000 0.000 0.191 185 D C 1.946 178.256 176.300 0.017 0.000 0.997 185 D CA 2.249 56.248 54.000 -0.001 0.000 0.834 185 D CB -0.896 39.908 40.800 0.007 0.000 0.956 185 D HN 0.436 nan 8.370 nan 0.000 0.448 186 S N 0.396 116.108 115.700 0.019 0.000 2.392 186 S HA -0.189 4.281 4.470 -0.000 0.000 0.232 186 S C 2.166 176.805 174.600 0.066 0.000 1.041 186 S CA 0.896 59.120 58.200 0.040 0.000 1.026 186 S CB -0.751 62.471 63.200 0.036 0.000 0.845 186 S HN 0.279 nan 8.310 nan 0.000 0.465 187 L N 1.161 122.414 121.223 0.051 0.000 2.072 187 L HA -0.013 4.327 4.340 -0.000 0.000 0.205 187 L C 3.007 180.012 176.870 0.225 0.000 1.079 187 L CA 1.478 56.381 54.840 0.106 0.000 0.752 187 L CB -0.699 41.352 42.059 -0.013 0.000 0.906 187 L HN 0.416 nan 8.230 nan 0.000 0.436 188 E N 0.113 120.373 120.200 0.099 0.000 2.118 188 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 188 E C 2.128 178.850 176.600 0.203 0.000 0.992 188 E CA 1.817 58.344 56.400 0.210 0.000 0.804 188 E CB -0.079 29.668 29.700 0.078 0.000 0.741 188 E HN 0.513 nan 8.360 nan 0.000 0.458 189 V N -0.979 119.010 119.914 0.125 0.000 2.379 189 V HA -0.108 4.012 4.120 -0.000 0.000 0.243 189 V C 1.791 177.936 176.094 0.084 0.000 1.035 189 V CA 1.354 63.707 62.300 0.088 0.000 1.035 189 V CB -0.526 31.333 31.823 0.060 0.000 0.673 189 V HN 0.038 nan 8.190 nan 0.000 0.457 190 E N 1.278 121.539 120.200 0.101 0.000 2.170 190 E HA 0.414 4.764 4.350 -0.000 0.000 0.191 190 E C 1.082 177.737 176.600 0.092 0.000 0.981 190 E CA 0.731 57.184 56.400 0.089 0.000 0.830 190 E CB 0.151 29.909 29.700 0.096 0.000 0.775 190 E HN 0.829 nan 8.360 nan 0.000 0.470 191 G N 0.464 109.354 108.800 0.149 0.000 2.801 191 G HA2 0.078 4.038 3.960 -0.000 0.000 0.648 191 G HA3 0.078 4.038 3.960 -0.000 0.000 0.648 191 G C -1.224 173.823 174.900 0.246 0.000 1.415 191 G CA -0.603 44.553 45.100 0.093 0.000 0.887 191 G HN 0.172 nan 8.290 nan 0.000 0.627 192 Y N -1.462 118.910 120.300 0.120 0.000 2.677 192 Y HA 0.911 5.461 4.550 -0.000 0.000 0.334 192 Y C -0.135 175.894 175.900 0.214 0.000 1.154 192 Y CA -0.810 57.385 58.100 0.158 0.000 1.070 192 Y CB 1.676 40.209 38.460 0.122 0.000 1.294 192 Y HN 1.004 nan 8.280 nan 0.000 0.475 193 T N 0.343 115.101 114.554 0.340 0.000 2.821 193 T HA 0.624 4.973 4.350 -0.000 0.000 0.306 193 T C -2.183 172.710 174.700 0.322 0.000 1.313 193 T CA -0.601 61.673 62.100 0.291 0.000 1.012 193 T CB 1.560 70.535 68.868 0.179 0.000 1.298 193 T HN 0.715 nan 8.240 nan 0.000 0.502 194 V N 3.457 123.558 119.914 0.312 0.000 2.384 194 V HA 0.619 4.739 4.120 -0.000 0.000 0.287 194 V C -0.592 175.616 176.094 0.189 0.000 1.020 194 V CA -0.563 61.870 62.300 0.222 0.000 0.850 194 V CB 1.522 33.428 31.823 0.139 0.000 0.987 194 V HN 0.908 nan 8.190 nan 0.000 0.436 195 D N 3.165 123.686 120.400 0.200 0.000 2.575 195 D HA 0.583 5.223 4.640 -0.000 0.000 0.236 195 D C -1.161 175.234 176.300 0.159 0.000 1.075 195 D CA -0.316 53.779 54.000 0.160 0.000 0.860 195 D CB 2.562 43.450 40.800 0.145 0.000 1.475 195 D HN 0.252 nan 8.370 nan 0.000 0.474 196 V N 3.594 123.567 119.914 0.099 0.000 2.334 196 V HA 0.391 4.511 4.120 -0.000 0.000 0.281 196 V C -0.062 176.060 176.094 0.047 0.000 1.016 196 V CA -0.680 61.676 62.300 0.094 0.000 0.832 196 V CB 1.147 33.011 31.823 0.068 0.000 0.999 196 V HN 0.444 nan 8.190 nan 0.000 0.439 197 K N 4.027 124.456 120.400 0.048 0.000 2.413 197 K HA 0.453 4.773 4.320 -0.000 0.000 0.257 197 K C 0.119 176.734 176.600 0.026 0.000 0.946 197 K CA -0.554 55.719 56.287 -0.023 0.000 0.823 197 K CB 0.624 33.022 32.500 -0.169 0.000 1.109 197 K HN 0.618 nan 8.250 nan 0.000 0.427 198 N N 3.854 122.562 118.700 0.013 0.000 2.740 198 N HA -0.168 4.572 4.740 -0.000 0.000 0.248 198 N C -1.145 174.393 175.510 0.047 0.000 1.062 198 N CA 1.080 54.146 53.050 0.027 0.000 0.704 198 N CB -0.593 37.912 38.487 0.031 0.000 0.968 198 N HN 0.756 nan 8.380 nan 0.000 0.547 199 K N -2.631 117.797 120.400 0.046 0.000 3.129 199 K HA -0.242 4.078 4.320 -0.000 0.000 0.273 199 K C -0.386 176.256 176.600 0.070 0.000 1.123 199 K CA 1.007 57.324 56.287 0.050 0.000 0.800 199 K CB -1.477 31.046 32.500 0.039 0.000 1.238 199 K HN 0.640 nan 8.250 nan 0.000 0.492 200 R N -0.102 120.459 120.500 0.102 0.000 2.628 200 R HA 0.324 4.664 4.340 -0.000 0.000 0.288 200 R C -0.302 176.108 176.300 0.183 0.000 0.980 200 R CA -0.661 55.520 56.100 0.135 0.000 0.891 200 R CB 1.597 31.996 30.300 0.165 0.000 1.188 200 R HN -0.097 nan 8.270 nan 0.000 0.450 201 T N 2.487 117.120 114.554 0.132 0.000 2.919 201 T HA 0.244 4.594 4.350 -0.000 0.000 0.302 201 T C -0.773 174.028 174.700 0.168 0.000 1.031 201 T CA 0.520 62.697 62.100 0.128 0.000 1.127 201 T CB 0.228 69.124 68.868 0.046 0.000 0.952 201 T HN 0.260 nan 8.240 nan 0.000 0.540 202 F N 2.745 122.721 119.950 0.043 0.000 2.612 202 F HA 0.466 4.993 4.527 -0.000 0.000 0.332 202 F C -0.649 175.195 175.800 0.073 0.000 1.167 202 F CA -0.896 57.140 58.000 0.061 0.000 0.970 202 F CB 1.249 40.287 39.000 0.063 0.000 1.234 202 F HN 0.358 nan 8.300 nan 0.000 0.453 203 L N 5.838 127.131 121.223 0.116 0.000 2.280 203 L HA 0.735 5.074 4.340 -0.000 0.000 0.287 203 L C -0.727 176.247 176.870 0.174 0.000 1.023 203 L CA 0.062 54.993 54.840 0.151 0.000 0.819 203 L CB 0.616 42.718 42.059 0.073 0.000 1.212 203 L HN 0.661 nan 8.230 nan 0.000 0.420 204 S N 3.733 119.579 115.700 0.243 0.000 2.607 204 S HA 0.717 5.187 4.470 -0.000 0.000 0.273 204 S C -2.956 171.767 174.600 0.205 0.000 1.148 204 S CA -1.534 56.803 58.200 0.228 0.000 0.833 204 S CB 1.722 65.110 63.200 0.313 0.000 1.130 204 S HN 0.310 nan 8.310 nan 0.000 0.470 205 P HA 0.007 nan 4.420 nan 0.000 0.267 205 P C -0.521 176.857 177.300 0.130 0.000 1.201 205 P CA -0.202 63.010 63.100 0.188 0.000 0.775 205 P CB 0.329 32.123 31.700 0.156 0.000 0.854 206 W N 4.455 125.730 121.300 -0.042 0.000 2.238 206 W HA 0.365 5.025 4.660 -0.000 0.000 0.321 206 W C -1.095 175.441 176.519 0.028 0.000 1.293 206 W CA -0.028 57.217 57.345 -0.165 0.000 1.204 206 W CB 0.310 29.695 29.460 -0.125 0.000 1.167 206 W HN 0.234 nan 8.180 nan 0.000 0.553 207 I N 6.674 126.939 120.570 -0.509 0.000 2.649 207 I HA -0.069 4.101 4.170 -0.000 0.000 0.275 207 I C 1.367 177.229 176.117 -0.425 0.000 1.153 207 I CA -0.261 60.921 61.300 -0.197 0.000 1.069 207 I CB 1.345 39.350 38.000 0.008 0.000 1.227 207 I HN 0.516 nan 8.210 nan 0.000 0.505 208 S N 4.535 120.034 115.700 -0.336 0.000 2.435 208 S HA -0.373 4.097 4.470 -0.000 0.000 0.250 208 S C 1.645 176.173 174.600 -0.121 0.000 1.065 208 S CA 2.624 60.806 58.200 -0.030 0.000 1.243 208 S CB -1.101 62.251 63.200 0.254 0.000 1.158 208 S HN 0.862 nan 8.310 nan 0.000 0.430 209 N N 2.430 121.082 118.700 -0.080 0.000 2.184 209 N HA -0.147 4.593 4.740 -0.000 0.000 0.190 209 N C 1.649 177.054 175.510 -0.175 0.000 1.011 209 N CA 2.061 55.056 53.050 -0.092 0.000 0.867 209 N CB -0.735 37.710 38.487 -0.069 0.000 0.993 209 N HN 0.646 nan 8.380 nan 0.000 0.433 210 I N -0.897 119.489 120.570 -0.306 0.000 2.296 210 I HA -0.105 4.065 4.170 -0.000 0.000 0.242 210 I C 1.683 177.484 176.117 -0.528 0.000 1.087 210 I CA 1.050 62.074 61.300 -0.460 0.000 1.393 210 I CB -0.311 37.275 38.000 -0.690 0.000 1.093 210 I HN 0.182 nan 8.210 nan 0.000 0.421 211 H N 0.408 119.192 119.070 -0.478 0.000 2.415 211 H HA 0.001 4.557 4.556 -0.000 0.000 0.297 211 H C 1.991 177.145 175.328 -0.290 0.000 1.048 211 H CA 0.705 56.441 56.048 -0.519 0.000 1.365 211 H CB -0.012 29.122 29.762 -1.047 0.000 1.421 211 H HN 0.242 nan 8.280 nan 0.000 0.533 212 E N 1.333 121.472 120.200 -0.102 0.000 2.097 212 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 212 E C 1.800 178.427 176.600 0.045 0.000 1.000 212 E CA 0.996 57.467 56.400 0.118 0.000 0.804 212 E CB 0.085 29.881 29.700 0.160 0.000 0.740 212 E HN 0.285 nan 8.360 nan 0.000 0.454 213 K N 1.116 121.500 120.400 -0.025 0.000 2.059 213 K HA -0.189 4.131 4.320 -0.000 0.000 0.212 213 K C 1.833 178.421 176.600 -0.020 0.000 1.050 213 K CA 1.443 57.711 56.287 -0.032 0.000 0.927 213 K CB -0.287 32.170 32.500 -0.072 0.000 0.714 213 K HN 0.167 nan 8.250 nan 0.000 0.447 214 K N -0.408 119.972 120.400 -0.033 0.000 2.525 214 K HA 0.040 4.360 4.320 -0.000 0.000 0.192 214 K C 0.865 177.480 176.600 0.026 0.000 1.029 214 K CA 0.546 56.824 56.287 -0.015 0.000 1.029 214 K CB 0.089 32.569 32.500 -0.033 0.000 0.814 214 K HN 0.369 nan 8.250 nan 0.000 0.503 215 G N 1.956 110.787 108.800 0.052 0.000 2.198 215 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.257 215 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.257 215 G C 0.033 174.990 174.900 0.095 0.000 1.042 215 G CA -0.079 45.064 45.100 0.072 0.000 0.791 215 G HN 0.147 nan 8.290 nan 0.000 0.502 216 L N -0.387 120.921 121.223 0.142 0.000 2.475 216 L HA 0.562 4.902 4.340 -0.000 0.000 0.253 216 L C 0.960 177.941 176.870 0.185 0.000 1.198 216 L CA -0.324 54.617 54.840 0.168 0.000 0.814 216 L CB 0.724 42.905 42.059 0.204 0.000 1.134 216 L HN 0.132 nan 8.230 nan 0.000 0.478 217 T N 0.681 115.239 114.554 0.005 0.000 2.794 217 T HA 0.193 4.543 4.350 -0.000 0.000 0.280 217 T C -0.224 174.100 174.700 -0.627 0.000 0.987 217 T CA -0.592 61.302 62.100 -0.342 0.000 0.993 217 T CB 1.181 69.702 68.868 -0.578 0.000 0.939 217 T HN 0.356 nan 8.240 nan 0.000 0.449 218 K N 3.427 123.305 120.400 -0.870 0.000 2.312 218 K HA 0.238 4.558 4.320 -0.000 0.000 0.287 218 K C -1.234 174.851 176.600 -0.859 0.000 1.062 218 K CA -0.290 55.338 56.287 -1.098 0.000 0.934 218 K CB 0.285 31.762 32.500 -1.705 0.000 1.027 218 K HN 0.496 nan 8.250 nan 0.000 0.478 219 Y N 3.022 122.932 120.300 -0.649 0.000 2.360 219 Y HA 0.365 4.915 4.550 -0.000 0.000 0.337 219 Y C -0.016 175.425 175.900 -0.764 0.000 1.039 219 Y CA -0.593 57.011 58.100 -0.827 0.000 1.109 219 Y CB 1.689 39.410 38.460 -1.231 0.000 1.201 219 Y HN 0.374 nan 8.280 nan 0.000 0.458 220 K N 1.739 122.017 120.400 -0.204 0.000 2.375 220 K HA 0.823 5.143 4.320 -0.000 0.000 0.249 220 K C -1.068 175.586 176.600 0.090 0.000 0.942 220 K CA -0.817 55.459 56.287 -0.018 0.000 0.806 220 K CB 2.321 34.811 32.500 -0.016 0.000 1.227 220 K HN 0.771 nan 8.250 nan 0.000 0.430 221 S N -0.707 115.095 115.700 0.171 0.000 2.615 221 S HA 0.283 4.753 4.470 -0.000 0.000 0.269 221 S C -1.031 173.631 174.600 0.104 0.000 1.161 221 S CA -0.972 57.311 58.200 0.138 0.000 0.817 221 S CB 1.489 64.789 63.200 0.166 0.000 1.131 221 S HN 0.396 nan 8.310 nan 0.000 0.467 222 S N 1.289 117.033 115.700 0.073 0.000 2.474 222 S HA 0.443 4.913 4.470 -0.000 0.000 0.276 222 S C -1.944 172.686 174.600 0.050 0.000 1.227 222 S CA -1.465 56.770 58.200 0.058 0.000 1.050 222 S CB 0.324 63.555 63.200 0.053 0.000 0.939 222 S HN 0.502 nan 8.310 nan 0.000 0.490 223 P HA 0.082 nan 4.420 nan 0.000 0.237 223 P C 0.120 177.441 177.300 0.035 0.000 1.178 223 P CA 0.717 63.836 63.100 0.031 0.000 0.766 223 P CB 0.098 31.814 31.700 0.027 0.000 0.876 224 E N -0.712 119.514 120.200 0.043 0.000 2.603 224 E HA 0.147 4.497 4.350 -0.000 0.000 0.211 224 E C -0.014 176.627 176.600 0.069 0.000 0.995 224 E CA -0.019 56.410 56.400 0.048 0.000 0.990 224 E CB 0.382 30.103 29.700 0.036 0.000 1.036 224 E HN 0.286 nan 8.360 nan 0.000 0.475 225 K N 0.380 120.828 120.400 0.081 0.000 2.463 225 K HA 0.122 4.442 4.320 -0.000 0.000 0.255 225 K C -0.528 176.162 176.600 0.151 0.000 0.942 225 K CA -0.579 55.778 56.287 0.116 0.000 0.814 225 K CB 1.588 34.142 32.500 0.091 0.000 1.122 225 K HN 0.041 nan 8.250 nan 0.000 0.425 226 W N 3.158 124.466 121.300 0.013 0.000 2.374 226 W HA -0.083 4.577 4.660 -0.000 0.000 0.288 226 W C 0.487 177.031 176.519 0.042 0.000 1.218 226 W CA 1.045 58.401 57.345 0.017 0.000 1.245 226 W CB 0.519 29.980 29.460 0.002 0.000 1.126 226 W HN 0.399 nan 8.180 nan 0.000 0.545 227 S N -0.271 115.526 115.700 0.161 0.000 2.652 227 S HA 0.236 4.706 4.470 -0.000 0.000 0.252 227 S C 0.666 175.312 174.600 0.076 0.000 1.219 227 S CA -0.146 58.060 58.200 0.010 0.000 1.151 227 S CB 0.709 63.981 63.200 0.121 0.000 1.080 227 S HN 0.048 nan 8.310 nan 0.000 0.481 228 T N 3.528 118.106 114.554 0.040 0.000 2.685 228 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 228 T C 1.880 176.624 174.700 0.074 0.000 1.034 228 T CA 1.867 64.004 62.100 0.061 0.000 1.149 228 T CB -0.303 68.600 68.868 0.057 0.000 0.860 228 T HN 0.793 nan 8.240 nan 0.000 0.449 229 A N 0.470 123.342 122.820 0.086 0.000 2.235 229 A HA 0.360 4.680 4.320 -0.000 0.000 0.208 229 A C 1.396 179.041 177.584 0.102 0.000 1.172 229 A CA 0.691 52.788 52.037 0.099 0.000 0.786 229 A CB -0.449 18.629 19.000 0.129 0.000 0.804 229 A HN 0.323 nan 8.150 nan 0.000 0.479 230 S N 0.029 115.795 115.700 0.109 0.000 3.561 230 S HA -0.169 4.301 4.470 -0.000 0.000 0.318 230 S C -0.010 174.671 174.600 0.135 0.000 1.181 230 S CA 1.056 59.324 58.200 0.114 0.000 0.916 230 S CB -1.749 61.495 63.200 0.074 0.000 0.966 230 S HN 1.033 nan 8.310 nan 0.000 0.550 231 D N -0.124 120.379 120.400 0.172 0.000 2.564 231 D HA 0.610 5.250 4.640 -0.000 0.000 0.273 231 D C -2.035 174.328 176.300 0.104 0.000 1.192 231 D CA -1.909 52.206 54.000 0.193 0.000 1.080 231 D CB 0.061 41.061 40.800 0.333 0.000 1.160 231 D HN 0.085 nan 8.370 nan 0.000 0.607 232 P HA 0.123 nan 4.420 nan 0.000 0.249 232 P C -0.867 176.285 177.300 -0.246 0.000 1.229 232 P CA 0.229 63.141 63.100 -0.313 0.000 0.788 232 P CB -0.232 30.991 31.700 -0.794 0.000 1.072 233 Y N -0.116 120.273 120.300 0.149 0.000 2.377 233 Y HA 0.414 4.964 4.550 -0.000 0.000 0.339 233 Y C 1.276 176.931 175.900 -0.408 0.000 1.011 233 Y CA -1.213 56.872 58.100 -0.024 0.000 1.093 233 Y CB 1.066 39.529 38.460 0.004 0.000 1.201 233 Y HN -0.210 nan 8.280 nan 0.000 0.455 234 S N 0.406 115.673 115.700 -0.721 0.000 2.603 234 S HA 0.078 4.548 4.470 -0.000 0.000 0.268 234 S C 0.490 174.827 174.600 -0.439 0.000 1.317 234 S CA -0.614 56.906 58.200 -1.134 0.000 1.012 234 S CB 0.899 63.213 63.200 -1.477 0.000 0.926 234 S HN 0.680 nan 8.310 nan 0.000 0.539 235 D N 0.675 120.859 120.400 -0.360 0.000 2.133 235 D HA -0.121 4.519 4.640 -0.000 0.000 0.195 235 D C 1.335 177.544 176.300 -0.152 0.000 0.997 235 D CA 1.330 55.218 54.000 -0.186 0.000 0.840 235 D CB -0.432 40.303 40.800 -0.108 0.000 0.947 235 D HN 0.646 nan 8.370 nan 0.000 0.452 236 F N 1.688 121.481 119.950 -0.262 0.000 2.113 236 F HA -0.134 4.393 4.527 -0.000 0.000 0.297 236 F C 2.229 177.938 175.800 -0.152 0.000 1.103 236 F CA 1.433 59.324 58.000 -0.183 0.000 1.248 236 F CB -0.024 38.895 39.000 -0.135 0.000 0.999 236 F HN -0.128 nan 8.300 nan 0.000 0.475 237 E N 0.391 120.621 120.200 0.050 0.000 2.049 237 E HA -0.264 4.086 4.350 -0.000 0.000 0.198 237 E C 2.130 178.592 176.600 -0.230 0.000 1.007 237 E CA 1.819 58.176 56.400 -0.071 0.000 0.809 237 E CB -0.205 29.510 29.700 0.025 0.000 0.749 237 E HN 0.443 nan 8.360 nan 0.000 0.450 238 K N 0.416 120.694 120.400 -0.203 0.000 1.969 238 K HA -0.171 4.149 4.320 -0.000 0.000 0.216 238 K C 2.373 178.797 176.600 -0.293 0.000 1.048 238 K CA 1.884 58.034 56.287 -0.228 0.000 0.948 238 K CB -0.591 31.794 32.500 -0.191 0.000 0.726 238 K HN 0.151 nan 8.250 nan 0.000 0.442 239 V N -1.331 118.349 119.914 -0.391 0.000 2.828 239 V HA -0.175 3.944 4.120 -0.000 0.000 0.260 239 V C 1.759 177.652 176.094 -0.336 0.000 1.101 239 V CA 2.226 64.235 62.300 -0.485 0.000 1.123 239 V CB -0.566 30.855 31.823 -0.668 0.000 0.704 239 V HN 0.305 nan 8.190 nan 0.000 0.493 240 T N -0.921 113.392 114.554 -0.402 0.000 3.001 240 T HA 0.449 4.799 4.350 -0.000 0.000 0.251 240 T C 1.417 175.938 174.700 -0.298 0.000 1.040 240 T CA 1.076 62.929 62.100 -0.411 0.000 0.985 240 T CB 0.027 68.427 68.868 -0.781 0.000 1.011 240 T HN 1.186 nan 8.240 nan 0.000 0.509 241 G N 1.995 110.628 108.800 -0.278 0.000 2.195 241 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.246 241 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.246 241 G C 0.359 175.069 174.900 -0.318 0.000 0.984 241 G CA -0.149 44.814 45.100 -0.228 0.000 0.633 241 G HN 0.509 nan 8.290 nan 0.000 0.525 242 R N 0.396 120.608 120.500 -0.480 0.000 3.688 242 R HA 0.636 4.976 4.340 -0.000 0.000 0.194 242 R C 0.152 175.920 176.300 -0.888 0.000 1.677 242 R CA 0.457 55.968 56.100 -0.982 0.000 1.351 242 R CB -0.181 29.455 30.300 -1.107 0.000 1.338 242 R HN 0.540 nan 8.270 nan 0.000 0.731 243 I N -0.732 119.567 120.570 -0.451 0.000 3.021 243 I HA 0.077 4.247 4.170 -0.000 0.000 0.305 243 I C -1.257 174.856 176.117 -0.006 0.000 1.434 243 I CA -1.002 60.214 61.300 -0.141 0.000 0.969 243 I CB 2.302 40.184 38.000 -0.197 0.000 1.328 243 I HN 0.190 nan 8.210 nan 0.000 0.486 244 D N 4.525 124.967 120.400 0.070 0.000 2.502 244 D HA -0.035 4.605 4.640 -0.000 0.000 0.249 244 D C 0.734 177.046 176.300 0.019 0.000 1.188 244 D CA 0.427 54.486 54.000 0.097 0.000 0.890 244 D CB 0.968 41.883 40.800 0.192 0.000 1.140 244 D HN 0.301 nan 8.370 nan 0.000 0.505 245 K N 3.266 123.691 120.400 0.042 0.000 2.442 245 K HA -0.063 4.256 4.320 -0.000 0.000 0.198 245 K C 1.033 177.638 176.600 0.008 0.000 1.044 245 K CA 0.395 56.688 56.287 0.011 0.000 0.948 245 K CB -0.019 32.496 32.500 0.026 0.000 0.762 245 K HN 0.530 nan 8.250 nan 0.000 0.472 246 N N 0.790 119.514 118.700 0.041 0.000 2.467 246 N HA -0.047 4.693 4.740 -0.000 0.000 0.184 246 N C -0.007 175.498 175.510 -0.008 0.000 1.106 246 N CA 0.138 53.204 53.050 0.027 0.000 0.892 246 N CB 0.367 38.889 38.487 0.059 0.000 0.969 246 N HN -0.106 nan 8.380 nan 0.000 0.454 247 V N 2.518 122.404 119.914 -0.048 0.000 2.458 247 V HA -0.045 4.075 4.120 -0.000 0.000 0.287 247 V C 0.774 176.814 176.094 -0.089 0.000 1.009 247 V CA -0.000 62.231 62.300 -0.114 0.000 1.091 247 V CB 0.278 31.914 31.823 -0.313 0.000 0.960 247 V HN 0.121 nan 8.190 nan 0.000 0.476 248 S N 7.901 123.559 115.700 -0.069 0.000 2.554 248 S HA 0.001 4.471 4.470 -0.000 0.000 0.290 248 S C -1.082 173.490 174.600 -0.047 0.000 1.309 248 S CA -0.455 57.712 58.200 -0.055 0.000 1.047 248 S CB 0.554 63.716 63.200 -0.063 0.000 0.828 248 S HN 0.670 nan 8.310 nan 0.000 0.509 249 P HA -0.205 nan 4.420 nan 0.000 0.215 249 P C 1.660 178.963 177.300 0.006 0.000 1.157 249 P CA 1.170 64.264 63.100 -0.009 0.000 0.874 249 P CB -0.009 31.693 31.700 0.004 0.000 0.790 250 E N 0.135 120.333 120.200 -0.004 0.000 2.153 250 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 250 E C 1.680 178.290 176.600 0.016 0.000 0.988 250 E CA 1.676 58.075 56.400 -0.002 0.000 0.811 250 E CB -1.269 28.398 29.700 -0.055 0.000 0.746 250 E HN 0.185 nan 8.360 nan 0.000 0.466 251 A N 1.364 124.180 122.820 -0.007 0.000 2.235 251 A HA 0.039 4.359 4.320 -0.000 0.000 0.208 251 A C 1.659 179.242 177.584 -0.002 0.000 1.172 251 A CA -0.026 52.017 52.037 0.011 0.000 0.786 251 A CB -0.194 18.805 19.000 -0.003 0.000 0.804 251 A HN -0.036 nan 8.150 nan 0.000 0.479 252 R N 0.030 120.526 120.500 -0.007 0.000 2.313 252 R HA 0.033 4.373 4.340 -0.000 0.000 0.199 252 R C -0.003 176.274 176.300 -0.038 0.000 0.958 252 R CA 0.173 56.241 56.100 -0.053 0.000 1.047 252 R CB -0.590 29.678 30.300 -0.053 0.000 0.955 252 R HN 0.612 nan 8.270 nan 0.000 0.481 253 H N 1.569 120.622 119.070 -0.029 0.000 2.517 253 H HA 0.175 4.731 4.556 -0.000 0.000 0.317 253 H C -1.790 173.524 175.328 -0.023 0.000 1.080 253 H CA -2.281 53.775 56.048 0.013 0.000 1.301 253 H CB 2.099 31.918 29.762 0.095 0.000 1.425 253 H HN -0.234 nan 8.280 nan 0.000 0.471 254 P HA -0.130 nan 4.420 nan 0.000 0.218 254 P C 1.230 178.618 177.300 0.147 0.000 1.146 254 P CA 1.145 64.240 63.100 -0.007 0.000 0.813 254 P CB 0.265 31.913 31.700 -0.087 0.000 0.778 255 L N -2.544 118.897 121.223 0.363 0.000 2.592 255 L HA 0.101 4.441 4.340 -0.000 0.000 0.227 255 L C 0.355 177.299 176.870 0.124 0.000 1.127 255 L CA -0.024 54.951 54.840 0.225 0.000 0.884 255 L CB 0.114 42.301 42.059 0.213 0.000 1.065 255 L HN -0.244 nan 8.230 nan 0.000 0.457 256 V N 0.896 120.895 119.914 0.141 0.000 2.370 256 V HA 0.486 4.606 4.120 -0.000 0.000 0.283 256 V C 0.574 176.743 176.094 0.125 0.000 1.023 256 V CA -0.893 61.449 62.300 0.070 0.000 0.857 256 V CB 1.374 33.201 31.823 0.007 0.000 0.985 256 V HN 0.187 nan 8.190 nan 0.000 0.443 257 A N 4.181 127.100 122.820 0.164 0.000 2.477 257 A HA 0.653 4.973 4.320 -0.000 0.000 0.246 257 A C 0.582 178.378 177.584 0.353 0.000 1.078 257 A CA 0.266 52.467 52.037 0.274 0.000 0.770 257 A CB 0.344 19.517 19.000 0.288 0.000 1.011 257 A HN 1.386 nan 8.150 nan 0.000 0.494 258 A N 2.886 125.960 122.820 0.423 0.000 2.412 258 A HA 0.659 4.979 4.320 -0.000 0.000 0.334 258 A C -0.555 177.415 177.584 0.643 0.000 1.419 258 A CA -0.455 51.836 52.037 0.423 0.000 0.930 258 A CB -0.345 18.890 19.000 0.392 0.000 1.149 258 A HN 1.552 nan 8.150 nan 0.000 0.515 259 Y N 0.356 120.760 120.300 0.173 0.000 2.581 259 Y HA 0.778 5.328 4.550 -0.000 0.000 0.337 259 Y C -3.430 172.315 175.900 -0.258 0.000 1.108 259 Y CA -2.965 55.087 58.100 -0.080 0.000 1.033 259 Y CB 1.160 39.643 38.460 0.038 0.000 1.318 259 Y HN 0.309 nan 8.280 nan 0.000 0.459 260 P HA 0.381 nan 4.420 nan 0.000 0.278 260 P C -0.730 176.335 177.300 -0.392 0.000 1.238 260 P CA -0.058 62.675 63.100 -0.612 0.000 0.794 260 P CB 1.111 32.208 31.700 -1.004 0.000 0.955 261 I N 2.335 122.689 120.570 -0.359 0.000 2.623 261 I HA 0.204 4.374 4.170 -0.000 0.000 0.275 261 I C -0.670 175.381 176.117 -0.110 0.000 1.108 261 I CA -0.759 60.467 61.300 -0.125 0.000 1.120 261 I CB 1.247 39.186 38.000 -0.102 0.000 1.249 261 I HN -0.063 nan 8.210 nan 0.000 0.500 262 V N 5.058 124.903 119.914 -0.116 0.000 2.439 262 V HA 0.407 4.527 4.120 -0.000 0.000 0.282 262 V C -0.273 175.893 176.094 0.119 0.000 1.039 262 V CA -0.371 61.873 62.300 -0.093 0.000 0.913 262 V CB 1.271 32.967 31.823 -0.210 0.000 0.983 262 V HN 0.787 nan 8.190 nan 0.000 0.460 263 H N 1.943 121.031 119.070 0.030 0.000 2.946 263 H HA 0.814 5.370 4.556 -0.000 0.000 0.365 263 H C -1.345 173.992 175.328 0.015 0.000 1.197 263 H CA -1.104 54.971 56.048 0.045 0.000 1.131 263 H CB 1.667 31.441 29.762 0.020 0.000 1.849 263 H HN 0.296 nan 8.280 nan 0.000 0.555 264 V N 1.518 121.470 119.914 0.064 0.000 2.539 264 V HA 0.187 4.307 4.120 -0.000 0.000 0.292 264 V C -0.102 176.001 176.094 0.016 0.000 1.045 264 V CA -0.465 61.758 62.300 -0.127 0.000 0.945 264 V CB 1.378 33.088 31.823 -0.189 0.000 0.993 264 V HN 0.917 nan 8.190 nan 0.000 0.464 265 D N 4.906 125.268 120.400 -0.065 0.000 2.440 265 D HA 0.330 4.970 4.640 -0.000 0.000 0.239 265 D C -0.692 175.611 176.300 0.005 0.000 1.084 265 D CA -0.492 53.541 54.000 0.055 0.000 0.843 265 D CB 1.655 42.541 40.800 0.143 0.000 1.097 265 D HN 0.541 nan 8.370 nan 0.000 0.531 266 M N 3.886 123.495 119.600 0.015 0.000 2.188 266 M HA 0.202 4.682 4.480 -0.000 0.000 0.357 266 M C 0.434 176.736 176.300 0.004 0.000 1.204 266 M CA -0.005 55.292 55.300 -0.005 0.000 1.095 266 M CB 1.270 33.868 32.600 -0.003 0.000 1.604 266 M HN 0.358 nan 8.290 nan 0.000 0.464 267 E N 2.687 122.880 120.200 -0.012 0.000 2.152 267 E HA 0.102 4.452 4.350 -0.000 0.000 0.195 267 E C -0.255 176.337 176.600 -0.013 0.000 0.934 267 E CA 0.192 56.583 56.400 -0.015 0.000 0.869 267 E CB 0.361 30.040 29.700 -0.035 0.000 0.842 267 E HN 0.778 nan 8.360 nan 0.000 0.472 268 N N 0.832 119.520 118.700 -0.020 0.000 2.357 268 N HA 0.428 5.168 4.740 -0.000 0.000 0.284 268 N C -1.299 174.195 175.510 -0.026 0.000 1.236 268 N CA -0.562 52.474 53.050 -0.022 0.000 0.774 268 N CB 2.848 41.318 38.487 -0.028 0.000 1.534 268 N HN 0.014 nan 8.380 nan 0.000 0.478 269 I N 0.455 121.004 120.570 -0.035 0.000 2.769 269 I HA 0.527 4.697 4.170 -0.000 0.000 0.298 269 I C -1.286 174.790 176.117 -0.069 0.000 1.128 269 I CA -1.222 60.053 61.300 -0.043 0.000 1.031 269 I CB 2.139 40.117 38.000 -0.038 0.000 1.235 269 I HN 0.679 nan 8.210 nan 0.000 0.423 270 I N 5.455 125.989 120.570 -0.059 0.000 2.499 270 I HA 0.518 4.688 4.170 -0.000 0.000 0.288 270 I C -1.916 174.171 176.117 -0.051 0.000 1.048 270 I CA -0.724 60.534 61.300 -0.070 0.000 1.062 270 I CB 1.952 39.923 38.000 -0.048 0.000 1.238 270 I HN 0.405 nan 8.210 nan 0.000 0.426 271 L N 5.968 127.150 121.223 -0.069 0.000 2.322 271 L HA 0.721 5.061 4.340 -0.000 0.000 0.281 271 L C 0.116 176.997 176.870 0.018 0.000 1.014 271 L CA -0.348 54.497 54.840 0.009 0.000 0.815 271 L CB 2.016 44.112 42.059 0.061 0.000 1.247 271 L HN 0.911 nan 8.230 nan 0.000 0.421 272 S N 1.298 117.020 115.700 0.037 0.000 2.661 272 S HA 0.502 4.972 4.470 -0.000 0.000 0.285 272 S C -0.922 173.683 174.600 0.007 0.000 1.138 272 S CA -1.061 57.147 58.200 0.012 0.000 0.855 272 S CB 2.067 65.270 63.200 0.004 0.000 1.136 272 S HN 0.538 nan 8.310 nan 0.000 0.484 273 K N 1.231 121.622 120.400 -0.014 0.000 2.316 273 K HA 0.223 4.543 4.320 -0.000 0.000 0.289 273 K C 0.286 176.884 176.600 -0.003 0.000 1.070 273 K CA -0.435 55.839 56.287 -0.023 0.000 0.928 273 K CB 0.265 32.746 32.500 -0.032 0.000 1.039 273 K HN 0.617 nan 8.250 nan 0.000 0.480 287 R N -0.167 120.330 120.500 -0.005 0.000 4.016 287 R HA -0.167 4.173 4.340 -0.000 0.000 0.385 287 R C 0.137 176.429 176.300 -0.013 0.000 1.158 287 R CA 1.382 57.480 56.100 -0.004 0.000 1.117 287 R CB -2.885 27.414 30.300 -0.002 0.000 1.635 287 R HN 0.860 nan 8.270 nan 0.000 0.560 288 T N -1.595 112.945 114.554 -0.023 0.000 2.952 288 T HA 0.786 5.136 4.350 -0.000 0.000 0.286 288 T C 0.322 174.977 174.700 -0.074 0.000 1.024 288 T CA -1.004 61.073 62.100 -0.038 0.000 1.029 288 T CB 2.055 70.904 68.868 -0.032 0.000 1.094 288 T HN 0.183 nan 8.240 nan 0.000 0.515 289 I N 1.442 121.940 120.570 -0.121 0.000 2.474 289 I HA 0.489 4.659 4.170 -0.000 0.000 0.294 289 I C -0.103 175.897 176.117 -0.196 0.000 1.005 289 I CA -0.848 60.319 61.300 -0.222 0.000 1.113 289 I CB 2.137 39.864 38.000 -0.455 0.000 1.289 289 I HN 0.707 nan 8.210 nan 0.000 0.436 290 S N 6.397 121.996 115.700 -0.168 0.000 2.733 290 S HA 0.475 4.945 4.470 -0.000 0.000 0.307 290 S C -0.828 173.706 174.600 -0.111 0.000 1.127 290 S CA -0.727 57.401 58.200 -0.120 0.000 1.097 290 S CB 0.319 63.476 63.200 -0.072 0.000 1.003 290 S HN 0.390 nan 8.310 nan 0.000 0.477 291 K N 3.155 123.487 120.400 -0.113 0.000 2.259 291 K HA 0.486 4.806 4.320 -0.000 0.000 0.249 291 K C -0.755 175.835 176.600 -0.017 0.000 0.942 291 K CA -0.916 55.339 56.287 -0.054 0.000 0.816 291 K CB 1.224 33.697 32.500 -0.046 0.000 1.155 291 K HN 0.559 nan 8.250 nan 0.000 0.428 292 N N 1.210 119.916 118.700 0.010 0.000 2.529 292 N HA 0.218 4.958 4.740 -0.000 0.000 0.278 292 N C -0.381 175.149 175.510 0.034 0.000 1.146 292 N CA -0.033 53.026 53.050 0.014 0.000 0.980 292 N CB 1.081 39.577 38.487 0.014 0.000 1.124 292 N HN 0.525 nan 8.380 nan 0.000 0.458 293 T N -2.503 112.067 114.554 0.026 0.000 2.856 293 T HA 0.459 4.809 4.350 -0.000 0.000 0.283 293 T C -0.146 174.574 174.700 0.034 0.000 1.008 293 T CA -0.896 61.226 62.100 0.036 0.000 0.997 293 T CB 1.412 70.297 68.868 0.027 0.000 0.992 293 T HN 0.175 nan 8.240 nan 0.000 0.454 294 S N 2.106 117.830 115.700 0.039 0.000 2.516 294 S HA 0.447 4.917 4.470 -0.000 0.000 0.268 294 S C -0.095 174.525 174.600 0.034 0.000 1.251 294 S CA -0.593 57.629 58.200 0.036 0.000 1.153 294 S CB -0.067 63.153 63.200 0.033 0.000 1.009 294 S HN 0.980 nan 8.310 nan 0.000 0.479 295 T N 3.500 118.080 114.554 0.044 0.000 2.845 295 T HA 0.624 4.974 4.350 -0.000 0.000 0.288 295 T C -0.453 174.275 174.700 0.047 0.000 0.980 295 T CA -0.225 61.903 62.100 0.046 0.000 1.071 295 T CB 0.642 69.548 68.868 0.064 0.000 0.941 295 T HN 0.477 nan 8.240 nan 0.000 0.487 296 S N 3.645 119.348 115.700 0.006 0.000 2.521 296 S HA 0.480 4.950 4.470 -0.000 0.000 0.295 296 S C -0.404 174.124 174.600 -0.120 0.000 1.098 296 S CA -0.871 57.309 58.200 -0.032 0.000 0.999 296 S CB 1.609 64.795 63.200 -0.023 0.000 1.034 296 S HN 0.842 nan 8.310 nan 0.000 0.483 297 R N 1.832 122.179 120.500 -0.255 0.000 2.537 297 R HA 0.270 4.610 4.340 -0.000 0.000 0.280 297 R C 0.218 176.429 176.300 -0.149 0.000 1.058 297 R CA 0.249 56.123 56.100 -0.376 0.000 1.057 297 R CB 0.211 30.178 30.300 -0.555 0.000 0.973 297 R HN 0.798 nan 8.270 nan 0.000 0.438 298 T N 0.535 115.034 114.554 -0.092 0.000 2.949 298 T HA 0.306 4.656 4.350 -0.000 0.000 0.287 298 T C -0.811 173.929 174.700 0.066 0.000 1.034 298 T CA -0.785 61.309 62.100 -0.009 0.000 1.018 298 T CB 1.608 70.469 68.868 -0.010 0.000 1.135 298 T HN 0.749 nan 8.240 nan 0.000 0.532 299 H N 0.123 119.176 119.070 -0.029 0.000 2.690 299 H HA 0.582 5.138 4.556 -0.000 0.000 0.368 299 H C -0.410 174.915 175.328 -0.005 0.000 1.150 299 H CA -0.334 55.705 56.048 -0.014 0.000 1.174 299 H CB 1.817 31.568 29.762 -0.018 0.000 1.684 299 H HN 0.972 nan 8.280 nan 0.000 0.538 300 T N 1.456 115.614 114.554 -0.660 0.000 2.771 300 T HA 0.220 4.570 4.350 -0.000 0.000 0.291 300 T C 1.253 175.596 174.700 -0.595 0.000 0.954 300 T CA -0.133 61.688 62.100 -0.465 0.000 1.045 300 T CB 0.934 69.668 68.868 -0.223 0.000 0.917 300 T HN 0.650 nan 8.240 nan 0.000 0.484 301 S N 1.718 117.240 115.700 -0.296 0.000 2.442 301 S HA -0.079 4.391 4.470 -0.000 0.000 0.236 301 S C 0.700 175.231 174.600 -0.115 0.000 1.007 301 S CA 0.181 58.281 58.200 -0.167 0.000 0.965 301 S CB -0.468 62.682 63.200 -0.083 0.000 0.773 301 S HN 0.790 nan 8.310 nan 0.000 0.504 302 E N 2.745 122.874 120.200 -0.120 0.000 2.428 302 E HA 0.213 4.563 4.350 -0.000 0.000 0.257 302 E C -1.535 175.036 176.600 -0.048 0.000 1.197 302 E CA -1.462 54.899 56.400 -0.066 0.000 0.974 302 E CB -0.119 29.549 29.700 -0.054 0.000 0.976 302 E HN 0.308 nan 8.360 nan 0.000 0.463 303 P HA 0.013 nan 4.420 nan 0.000 0.313 303 P C 0.396 177.713 177.300 0.029 0.000 1.419 303 P CA 0.022 63.133 63.100 0.018 0.000 0.842 303 P CB -0.186 31.524 31.700 0.017 0.000 2.041 326 N N 0.954 119.668 118.700 0.023 0.000 2.708 326 N HA -0.130 4.610 4.740 -0.000 0.000 0.249 326 N C -0.799 174.718 175.510 0.011 0.000 1.097 326 N CA 1.495 54.550 53.050 0.009 0.000 0.710 326 N CB -1.664 36.818 38.487 -0.008 0.000 1.032 326 N HN 0.708 nan 8.380 nan 0.000 0.551 327 S N -0.420 115.305 115.700 0.042 0.000 2.537 327 S HA 0.415 4.885 4.470 -0.000 0.000 0.271 327 S C -0.643 174.012 174.600 0.092 0.000 1.148 327 S CA -0.960 57.275 58.200 0.059 0.000 0.868 327 S CB 2.119 65.346 63.200 0.046 0.000 1.115 327 S HN 0.160 nan 8.310 nan 0.000 0.461 328 N N 1.482 120.256 118.700 0.123 0.000 2.417 328 N HA 0.686 5.426 4.740 -0.000 0.000 0.300 328 N C -0.848 174.726 175.510 0.107 0.000 1.102 328 N CA -0.515 52.611 53.050 0.128 0.000 0.886 328 N CB 1.971 40.562 38.487 0.173 0.000 1.203 328 N HN 0.712 nan 8.380 nan 0.000 0.496 329 S N -0.816 114.924 115.700 0.068 0.000 2.595 329 S HA 0.736 5.206 4.470 -0.000 0.000 0.281 329 S C -0.690 173.905 174.600 -0.010 0.000 1.117 329 S CA -0.783 57.444 58.200 0.045 0.000 0.873 329 S CB 1.665 64.883 63.200 0.031 0.000 1.108 329 S HN 0.561 nan 8.310 nan 0.000 0.477 330 S N 0.344 116.044 115.700 0.001 0.000 2.570 330 S HA 0.791 5.261 4.470 -0.000 0.000 0.286 330 S C -0.825 173.772 174.600 -0.005 0.000 1.099 330 S CA -0.754 57.422 58.200 -0.039 0.000 0.913 330 S CB 1.509 64.705 63.200 -0.006 0.000 1.085 330 S HN 0.764 nan 8.310 nan 0.000 0.480 331 T N 1.813 116.358 114.554 -0.014 0.000 2.824 331 T HA 0.594 4.944 4.350 -0.000 0.000 0.280 331 T C -0.594 174.109 174.700 0.006 0.000 0.995 331 T CA -0.484 61.614 62.100 -0.003 0.000 1.009 331 T CB 1.247 70.109 68.868 -0.009 0.000 0.955 331 T HN 0.585 nan 8.240 nan 0.000 0.452 332 V N 2.645 122.566 119.914 0.011 0.000 2.427 332 V HA 0.727 4.847 4.120 -0.000 0.000 0.286 332 V C 0.153 176.258 176.094 0.017 0.000 1.034 332 V CA -0.894 61.416 62.300 0.018 0.000 0.893 332 V CB 1.332 33.168 31.823 0.021 0.000 0.982 332 V HN 1.053 nan 8.190 nan 0.000 0.452 333 A N 6.402 129.237 122.820 0.025 0.000 2.287 333 A HA 0.800 5.120 4.320 -0.000 0.000 0.317 333 A C -0.512 177.109 177.584 0.063 0.000 1.220 333 A CA -0.520 51.535 52.037 0.031 0.000 0.835 333 A CB 0.398 19.412 19.000 0.022 0.000 1.180 333 A HN 0.778 nan 8.150 nan 0.000 0.500 334 I N 1.760 122.384 120.570 0.089 0.000 2.396 334 I HA 0.133 4.303 4.170 -0.000 0.000 0.292 334 I C 0.038 176.283 176.117 0.215 0.000 0.999 334 I CA -0.605 60.785 61.300 0.150 0.000 1.310 334 I CB 1.302 39.433 38.000 0.219 0.000 1.404 334 I HN 0.651 nan 8.210 nan 0.000 0.496 335 D N 5.566 126.088 120.400 0.204 0.000 2.450 335 D HA -0.082 4.558 4.640 -0.000 0.000 0.247 335 D C 0.985 177.487 176.300 0.337 0.000 1.162 335 D CA 0.341 54.477 54.000 0.226 0.000 0.879 335 D CB 0.557 41.432 40.800 0.126 0.000 1.163 335 D HN 0.527 nan 8.370 nan 0.000 0.472 336 H N 1.330 120.504 119.070 0.173 0.000 2.594 336 H HA 0.283 4.839 4.556 -0.000 0.000 0.279 336 H C 0.149 175.577 175.328 0.166 0.000 1.042 336 H CA -0.561 55.602 56.048 0.192 0.000 1.177 336 H CB -0.343 29.482 29.762 0.105 0.000 1.524 336 H HN 0.071 nan 8.280 nan 0.000 0.537 337 S N 0.744 116.330 115.700 -0.191 0.000 2.634 337 S HA 0.227 4.697 4.470 -0.000 0.000 0.254 337 S C 0.819 175.422 174.600 0.006 0.000 1.299 337 S CA -0.600 57.501 58.200 -0.166 0.000 0.974 337 S CB 0.786 63.930 63.200 -0.093 0.000 1.001 337 S HN 0.235 nan 8.310 nan 0.000 0.584 338 L N 0.829 122.065 121.223 0.021 0.000 2.439 338 L HA 0.380 4.720 4.340 -0.000 0.000 0.261 338 L C 0.416 177.332 176.870 0.077 0.000 1.153 338 L CA -0.185 54.693 54.840 0.063 0.000 0.808 338 L CB 1.045 43.150 42.059 0.076 0.000 1.126 338 L HN 0.527 nan 8.230 nan 0.000 0.460 346 W N 1.823 123.208 121.300 0.140 0.000 2.360 346 W HA 0.126 4.786 4.660 -0.000 0.000 0.323 346 W C 2.700 179.344 176.519 0.209 0.000 1.181 346 W CA 1.590 59.058 57.345 0.204 0.000 1.261 346 W CB -1.451 28.169 29.460 0.267 0.000 1.195 346 W HN 0.918 nan 8.180 nan 0.000 0.454 347 A N 0.043 123.180 122.820 0.529 0.000 1.958 347 A HA -0.323 3.997 4.320 -0.000 0.000 0.221 347 A C 1.989 179.644 177.584 0.118 0.000 1.178 347 A CA 2.441 54.581 52.037 0.171 0.000 0.642 347 A CB -1.064 18.023 19.000 0.145 0.000 0.816 347 A HN 0.512 nan 8.150 nan 0.000 0.453 348 E N -0.950 119.349 120.200 0.165 0.000 2.017 348 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 348 E C 1.979 178.636 176.600 0.096 0.000 0.997 348 E CA 1.776 58.246 56.400 0.117 0.000 0.804 348 E CB -0.277 29.495 29.700 0.120 0.000 0.757 348 E HN 0.527 nan 8.360 nan 0.000 0.448 349 T N 0.835 115.462 114.554 0.121 0.000 2.849 349 T HA -0.151 4.199 4.350 -0.000 0.000 0.270 349 T C 1.650 176.380 174.700 0.050 0.000 1.066 349 T CA 1.530 63.680 62.100 0.084 0.000 1.130 349 T CB -0.117 68.807 68.868 0.093 0.000 0.864 349 T HN 0.258 nan 8.240 nan 0.000 0.481 350 M N 0.130 119.760 119.600 0.050 0.000 2.509 350 M HA 0.253 4.733 4.480 -0.000 0.000 0.250 350 M C 1.376 177.667 176.300 -0.016 0.000 1.132 350 M CA 0.107 55.406 55.300 -0.000 0.000 1.080 350 M CB 0.238 32.814 32.600 -0.040 0.000 1.408 350 M HN 0.312 nan 8.290 nan 0.000 0.484 351 G N 2.861 111.665 108.800 0.007 0.000 2.370 351 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.293 351 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.293 351 G C -0.406 174.488 174.900 -0.010 0.000 0.992 351 G CA -0.151 44.954 45.100 0.008 0.000 1.247 351 G HN 0.434 nan 8.290 nan 0.000 0.505 352 L N 1.047 122.263 121.223 -0.012 0.000 2.259 352 L HA 0.291 4.631 4.340 -0.000 0.000 0.288 352 L C 0.265 177.184 176.870 0.081 0.000 1.051 352 L CA -1.094 53.742 54.840 -0.006 0.000 0.824 352 L CB 0.613 42.589 42.059 -0.138 0.000 1.206 352 L HN 0.167 nan 8.230 nan 0.000 0.429 353 N N 0.978 119.680 118.700 0.003 0.000 2.467 353 N HA 0.124 4.864 4.740 -0.000 0.000 0.262 353 N C 1.260 176.631 175.510 -0.233 0.000 1.234 353 N CA -0.225 52.774 53.050 -0.085 0.000 0.952 353 N CB 0.789 39.233 38.487 -0.072 0.000 1.158 353 N HN 0.385 nan 8.380 nan 0.000 0.463 354 T N 0.100 114.361 114.554 -0.488 0.000 2.822 354 T HA -0.162 4.188 4.350 -0.000 0.000 0.270 354 T C 1.294 175.805 174.700 -0.315 0.000 1.064 354 T CA 1.640 63.270 62.100 -0.783 0.000 1.131 354 T CB -0.144 68.383 68.868 -0.569 0.000 0.858 354 T HN 0.636 nan 8.240 nan 0.000 0.483 355 A N 1.753 124.474 122.820 -0.165 0.000 2.307 355 A HA 0.174 4.494 4.320 -0.000 0.000 0.218 355 A C 1.085 178.656 177.584 -0.022 0.000 1.228 355 A CA -0.288 51.708 52.037 -0.069 0.000 0.857 355 A CB -0.172 18.794 19.000 -0.057 0.000 0.897 355 A HN 0.602 nan 8.150 nan 0.000 0.495 356 D N -0.528 119.867 120.400 -0.008 0.000 2.325 356 D HA 0.260 4.900 4.640 -0.000 0.000 0.262 356 D C -0.014 176.312 176.300 0.043 0.000 1.263 356 D CA 0.499 54.509 54.000 0.018 0.000 1.020 356 D CB 0.299 41.111 40.800 0.021 0.000 1.117 356 D HN -0.016 nan 8.370 nan 0.000 0.545 357 T N -1.948 112.624 114.554 0.031 0.000 3.579 357 T HA 0.538 4.888 4.350 -0.000 0.000 0.360 357 T C -1.557 173.160 174.700 0.028 0.000 1.285 357 T CA -0.439 61.687 62.100 0.044 0.000 1.127 357 T CB 0.462 69.356 68.868 0.042 0.000 1.244 357 T HN 0.703 nan 8.240 nan 0.000 0.476 358 A N 4.346 127.196 122.820 0.051 0.000 2.310 358 A HA 0.808 5.128 4.320 -0.000 0.000 0.299 358 A C 0.264 177.899 177.584 0.085 0.000 1.147 358 A CA -0.708 51.369 52.037 0.067 0.000 0.818 358 A CB 0.673 19.780 19.000 0.180 0.000 1.096 358 A HN 0.879 nan 8.150 nan 0.000 0.495 359 R N 2.117 122.659 120.500 0.070 0.000 2.474 359 R HA 0.709 5.049 4.340 -0.000 0.000 0.295 359 R C -1.562 174.777 176.300 0.066 0.000 0.980 359 R CA -0.489 55.646 56.100 0.059 0.000 0.934 359 R CB 0.884 31.207 30.300 0.039 0.000 1.101 359 R HN 0.750 nan 8.270 nan 0.000 0.469 360 L N 3.321 124.577 121.223 0.054 0.000 2.381 360 L HA 0.562 4.902 4.340 -0.000 0.000 0.268 360 L C -1.443 175.441 176.870 0.024 0.000 0.997 360 L CA -0.689 54.177 54.840 0.043 0.000 0.818 360 L CB 2.061 44.148 42.059 0.048 0.000 1.310 360 L HN 0.734 nan 8.230 nan 0.000 0.416 361 N N 2.561 121.268 118.700 0.010 0.000 2.598 361 N HA 0.846 5.586 4.740 -0.000 0.000 0.263 361 N C -1.975 173.530 175.510 -0.009 0.000 1.254 361 N CA 0.026 53.078 53.050 0.003 0.000 0.863 361 N CB 2.585 41.074 38.487 0.002 0.000 1.586 361 N HN 0.880 nan 8.380 nan 0.000 0.491 362 A N 1.503 124.316 122.820 -0.011 0.000 2.599 362 A HA 0.606 4.926 4.320 -0.000 0.000 0.290 362 A C -1.573 175.997 177.584 -0.023 0.000 1.101 362 A CA -0.799 51.227 52.037 -0.019 0.000 0.674 362 A CB 0.957 19.946 19.000 -0.018 0.000 1.277 362 A HN 0.687 nan 8.150 nan 0.000 0.419 363 N N 0.004 118.686 118.700 -0.029 0.000 2.408 363 N HA 0.670 5.410 4.740 -0.000 0.000 0.280 363 N C -0.556 174.927 175.510 -0.046 0.000 1.002 363 N CA -0.444 52.584 53.050 -0.036 0.000 0.907 363 N CB 1.892 40.356 38.487 -0.038 0.000 1.161 363 N HN 0.732 nan 8.380 nan 0.000 0.488 364 I N -1.783 118.751 120.570 -0.062 0.000 3.042 364 I HA 0.662 4.832 4.170 -0.000 0.000 0.310 364 I C -1.067 174.989 176.117 -0.102 0.000 1.117 364 I CA -1.059 60.183 61.300 -0.096 0.000 1.003 364 I CB 2.269 40.173 38.000 -0.160 0.000 1.228 364 I HN 0.315 nan 8.210 nan 0.000 0.443 365 R N 2.387 122.823 120.500 -0.106 0.000 2.673 365 R HA 0.486 4.826 4.340 -0.000 0.000 0.281 365 R C -1.910 174.329 176.300 -0.101 0.000 0.991 365 R CA -0.800 55.286 56.100 -0.022 0.000 0.896 365 R CB 2.317 32.687 30.300 0.116 0.000 1.201 365 R HN 0.560 nan 8.270 nan 0.000 0.457 366 Y N 0.777 121.119 120.300 0.071 0.000 2.304 366 Y HA 0.354 4.904 4.550 -0.000 0.000 0.328 366 Y C 0.359 176.174 175.900 -0.141 0.000 1.123 366 Y CA -0.422 57.663 58.100 -0.024 0.000 1.218 366 Y CB 1.564 40.047 38.460 0.040 0.000 1.207 366 Y HN 0.183 nan 8.280 nan 0.000 0.495 367 V N 4.535 124.285 119.914 -0.274 0.000 2.531 367 V HA 0.470 4.590 4.120 -0.000 0.000 0.301 367 V C -1.218 174.627 176.094 -0.415 0.000 1.034 367 V CA -0.721 61.267 62.300 -0.520 0.000 0.865 367 V CB 1.600 32.879 31.823 -0.908 0.000 0.995 367 V HN 0.828 nan 8.190 nan 0.000 0.424 368 N N 3.923 122.427 118.700 -0.325 0.000 2.439 368 N HA 0.354 5.094 4.740 -0.000 0.000 0.249 368 N C 0.534 175.908 175.510 -0.226 0.000 1.003 368 N CA 0.303 53.190 53.050 -0.272 0.000 0.942 368 N CB 1.553 39.874 38.487 -0.277 0.000 1.115 368 N HN 0.872 nan 8.380 nan 0.000 0.505 369 T N -0.066 114.390 114.554 -0.164 0.000 3.214 369 T HA 0.386 4.736 4.350 -0.000 0.000 0.264 369 T C 0.909 175.517 174.700 -0.153 0.000 1.012 369 T CA -0.518 61.514 62.100 -0.112 0.000 0.901 369 T CB -0.005 68.853 68.868 -0.017 0.000 1.070 369 T HN 0.311 nan 8.240 nan 0.000 0.561 370 G N 1.428 110.085 108.800 -0.237 0.000 2.574 370 G HA2 0.462 4.422 3.960 -0.000 0.000 0.248 370 G HA3 0.462 4.422 3.960 -0.000 0.000 0.248 370 G C 0.706 175.435 174.900 -0.285 0.000 1.422 370 G CA 0.049 44.937 45.100 -0.354 0.000 1.051 370 G HN 0.363 nan 8.290 nan 0.000 0.560 371 T N -3.309 111.056 114.554 -0.316 0.000 3.043 371 T HA 0.624 4.974 4.350 -0.000 0.000 0.272 371 T C 0.309 174.960 174.700 -0.083 0.000 0.990 371 T CA 0.597 62.594 62.100 -0.170 0.000 0.897 371 T CB 0.454 69.242 68.868 -0.134 0.000 1.111 371 T HN 1.018 nan 8.240 nan 0.000 0.529 372 A N 2.267 125.030 122.820 -0.095 0.000 2.498 372 A HA 0.886 5.206 4.320 -0.000 0.000 0.298 372 A C -3.076 174.489 177.584 -0.032 0.000 1.075 372 A CA -2.066 50.013 52.037 0.070 0.000 0.714 372 A CB 1.818 21.044 19.000 0.376 0.000 1.299 372 A HN 0.096 nan 8.150 nan 0.000 0.407 373 P HA 0.609 nan 4.420 nan 0.000 0.279 373 P C -0.811 176.445 177.300 -0.072 0.000 1.276 373 P CA -0.335 62.715 63.100 -0.083 0.000 0.801 373 P CB 1.110 32.753 31.700 -0.095 0.000 1.127 374 I N 0.077 120.460 120.570 -0.312 0.000 2.608 374 I HA 0.353 4.523 4.170 -0.000 0.000 0.295 374 I C -0.835 175.050 176.117 -0.386 0.000 1.049 374 I CA -0.921 60.260 61.300 -0.198 0.000 1.063 374 I CB 1.816 39.636 38.000 -0.299 0.000 1.248 374 I HN 0.285 nan 8.210 nan 0.000 0.424 375 Y N 4.772 125.105 120.300 0.056 0.000 2.361 375 Y HA 0.310 4.860 4.550 -0.000 0.000 0.337 375 Y C 0.599 176.494 175.900 -0.009 0.000 0.965 375 Y CA -0.790 57.318 58.100 0.014 0.000 1.091 375 Y CB 1.354 39.847 38.460 0.055 0.000 1.182 375 Y HN 0.600 nan 8.280 nan 0.000 0.450 376 N N -0.042 118.695 118.700 0.062 0.000 2.815 376 N HA -0.168 4.572 4.740 -0.000 0.000 0.247 376 N C -1.041 174.462 175.510 -0.011 0.000 1.030 376 N CA 1.012 54.076 53.050 0.023 0.000 0.881 376 N CB -1.212 37.318 38.487 0.072 0.000 1.134 376 N HN 0.283 nan 8.380 nan 0.000 0.582 377 V N 0.445 120.335 119.914 -0.039 0.000 2.971 377 V HA 0.625 4.745 4.120 -0.000 0.000 0.309 377 V C -0.135 175.884 176.094 -0.124 0.000 1.130 377 V CA -0.794 61.486 62.300 -0.034 0.000 0.964 377 V CB 2.933 34.793 31.823 0.062 0.000 1.029 377 V HN 0.061 nan 8.190 nan 0.000 0.427 378 L N 3.917 125.058 121.223 -0.138 0.000 2.381 378 L HA 0.616 4.956 4.340 -0.000 0.000 0.268 378 L C -2.619 174.209 176.870 -0.070 0.000 0.997 378 L CA -1.782 52.907 54.840 -0.251 0.000 0.818 378 L CB 2.889 44.626 42.059 -0.537 0.000 1.310 378 L HN 0.441 nan 8.230 nan 0.000 0.416 379 P HA 0.156 nan 4.420 nan 0.000 0.274 379 P C -0.701 176.690 177.300 0.151 0.000 1.231 379 P CA -0.310 62.880 63.100 0.151 0.000 0.790 379 P CB 0.555 32.426 31.700 0.285 0.000 0.951 380 T N 2.001 116.627 114.554 0.120 0.000 2.869 380 T HA 0.361 4.711 4.350 -0.000 0.000 0.295 380 T C 0.021 174.801 174.700 0.133 0.000 0.987 380 T CA 0.107 62.278 62.100 0.117 0.000 1.109 380 T CB -0.072 68.842 68.868 0.076 0.000 0.932 380 T HN 0.300 nan 8.240 nan 0.000 0.518 381 T N 2.673 117.310 114.554 0.138 0.000 2.841 381 T HA 0.465 4.815 4.350 -0.000 0.000 0.283 381 T C -0.254 174.493 174.700 0.078 0.000 1.000 381 T CA -0.735 61.434 62.100 0.116 0.000 0.977 381 T CB 1.402 70.343 68.868 0.122 0.000 0.979 381 T HN 0.421 nan 8.240 nan 0.000 0.446 382 S N 2.471 118.208 115.700 0.062 0.000 2.433 382 S HA 0.444 4.914 4.470 -0.000 0.000 0.310 382 S C -0.506 174.117 174.600 0.039 0.000 1.097 382 S CA -0.711 57.518 58.200 0.047 0.000 1.103 382 S CB 0.710 63.934 63.200 0.041 0.000 0.992 382 S HN 0.550 nan 8.310 nan 0.000 0.469 383 L N 5.996 127.239 121.223 0.034 0.000 2.295 383 L HA 0.464 4.804 4.340 -0.000 0.000 0.288 383 L C -0.861 176.023 176.870 0.024 0.000 1.079 383 L CA 0.054 54.910 54.840 0.026 0.000 0.830 383 L CB 0.162 42.235 42.059 0.024 0.000 1.200 383 L HN 0.412 nan 8.230 nan 0.000 0.438 384 V N 6.140 126.066 119.914 0.020 0.000 2.513 384 V HA 0.471 4.590 4.120 -0.000 0.000 0.299 384 V C -0.318 175.782 176.094 0.010 0.000 1.035 384 V CA -0.756 61.553 62.300 0.016 0.000 0.889 384 V CB 1.718 33.550 31.823 0.014 0.000 0.988 384 V HN 0.641 nan 8.190 nan 0.000 0.440 385 L N 4.598 125.826 121.223 0.008 0.000 2.334 385 L HA 0.960 5.300 4.340 -0.000 0.000 0.276 385 L C 0.633 177.502 176.870 -0.003 0.000 1.014 385 L CA 1.407 56.248 54.840 0.001 0.000 0.815 385 L CB 1.057 43.118 42.059 0.003 0.000 1.268 385 L HN 0.980 nan 8.230 nan 0.000 0.428 386 G N 4.337 113.130 108.800 -0.012 0.000 2.556 386 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.283 386 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.283 386 G C 0.709 175.603 174.900 -0.010 0.000 1.177 386 G CA 0.543 45.635 45.100 -0.014 0.000 0.978 386 G HN 0.737 nan 8.290 nan 0.000 0.554 387 K N 1.371 121.767 120.400 -0.008 0.000 2.242 387 K HA 0.086 4.406 4.320 -0.000 0.000 0.200 387 K C 1.149 177.748 176.600 -0.001 0.000 1.050 387 K CA 1.151 57.434 56.287 -0.006 0.000 0.981 387 K CB 0.065 32.561 32.500 -0.007 0.000 0.795 387 K HN 0.647 nan 8.250 nan 0.000 0.477 388 N N -0.224 118.477 118.700 0.003 0.000 2.393 388 N HA -0.045 4.695 4.740 -0.000 0.000 0.256 388 N C -1.121 174.396 175.510 0.011 0.000 1.449 388 N CA -0.176 52.878 53.050 0.007 0.000 0.887 388 N CB -0.193 38.297 38.487 0.007 0.000 1.374 388 N HN -0.065 nan 8.380 nan 0.000 0.503 389 Q N 1.163 120.970 119.800 0.011 0.000 2.681 389 Q HA 0.208 4.548 4.340 -0.000 0.000 0.222 389 Q C -0.512 175.499 176.000 0.019 0.000 1.258 389 Q CA -0.051 55.761 55.803 0.016 0.000 1.014 389 Q CB 0.238 28.986 28.738 0.016 0.000 1.384 389 Q HN 0.143 nan 8.270 nan 0.000 0.570 390 T N 3.228 117.795 114.554 0.021 0.000 2.754 390 T HA 0.051 4.401 4.350 -0.000 0.000 0.282 390 T C 1.441 176.158 174.700 0.028 0.000 0.923 390 T CA 0.160 62.275 62.100 0.024 0.000 1.164 390 T CB 0.267 69.149 68.868 0.024 0.000 0.873 390 T HN 0.461 nan 8.240 nan 0.000 0.537 391 L N 1.727 122.967 121.223 0.029 0.000 2.068 391 L HA 0.266 4.606 4.340 -0.000 0.000 0.204 391 L C 1.395 178.286 176.870 0.034 0.000 1.076 391 L CA 0.651 55.510 54.840 0.033 0.000 0.753 391 L CB -0.224 41.855 42.059 0.033 0.000 0.910 391 L HN 0.673 nan 8.230 nan 0.000 0.439 392 A N -1.354 121.486 122.820 0.033 0.000 2.594 392 A HA 0.666 4.986 4.320 -0.000 0.000 0.291 392 A C -0.912 176.695 177.584 0.038 0.000 1.105 392 A CA -0.346 51.713 52.037 0.035 0.000 0.694 392 A CB 1.519 20.540 19.000 0.035 0.000 1.291 392 A HN -0.074 nan 8.150 nan 0.000 0.410 393 T N 1.671 116.250 114.554 0.042 0.000 2.833 393 T HA 0.506 4.856 4.350 -0.000 0.000 0.297 393 T C -0.562 174.172 174.700 0.057 0.000 1.015 393 T CA 0.081 62.210 62.100 0.048 0.000 0.963 393 T CB 0.092 68.987 68.868 0.044 0.000 0.955 393 T HN 0.414 nan 8.240 nan 0.000 0.449 394 I N 4.057 124.669 120.570 0.072 0.000 2.297 394 I HA 0.382 4.552 4.170 -0.000 0.000 0.291 394 I C 0.467 176.658 176.117 0.122 0.000 1.033 394 I CA -0.524 60.831 61.300 0.092 0.000 1.253 394 I CB 0.689 38.745 38.000 0.094 0.000 1.396 394 I HN 0.297 nan 8.210 nan 0.000 0.476 395 K N 4.149 124.612 120.400 0.105 0.000 2.238 395 K HA 0.797 5.117 4.320 -0.000 0.000 0.239 395 K C -0.418 176.244 176.600 0.104 0.000 0.987 395 K CA -0.870 55.477 56.287 0.098 0.000 0.857 395 K CB 2.085 34.624 32.500 0.065 0.000 1.154 395 K HN 0.627 nan 8.250 nan 0.000 0.439 396 A N 1.711 124.573 122.820 0.071 0.000 2.354 396 A HA 0.253 4.573 4.320 -0.000 0.000 0.269 396 A C -0.347 177.264 177.584 0.045 0.000 1.109 396 A CA -0.295 51.775 52.037 0.055 0.000 0.800 396 A CB 0.258 19.249 19.000 -0.015 0.000 1.045 396 A HN 0.605 nan 8.150 nan 0.000 0.489 397 K N 0.559 120.989 120.400 0.050 0.000 2.120 397 K HA 0.294 4.614 4.320 -0.000 0.000 0.245 397 K C 0.150 176.766 176.600 0.028 0.000 1.024 397 K CA 0.168 56.475 56.287 0.034 0.000 0.906 397 K CB 0.349 32.864 32.500 0.026 0.000 1.051 397 K HN 0.852 nan 8.250 nan 0.000 0.491 398 E N 0.165 120.377 120.200 0.021 0.000 3.912 398 E HA -0.380 3.970 4.350 -0.000 0.000 0.335 398 E C -0.031 176.581 176.600 0.019 0.000 0.654 398 E CA 0.983 57.395 56.400 0.020 0.000 1.177 398 E CB -0.904 28.811 29.700 0.024 0.000 1.650 398 E HN 0.806 nan 8.360 nan 0.000 0.430 399 N N -1.160 117.551 118.700 0.019 0.000 2.887 399 N HA -0.239 4.501 4.740 -0.000 0.000 0.219 399 N C -0.217 175.300 175.510 0.013 0.000 0.855 399 N CA 2.331 55.391 53.050 0.017 0.000 1.164 399 N CB -0.848 37.650 38.487 0.018 0.000 0.969 399 N HN 0.575 nan 8.380 nan 0.000 0.610 400 Q N 0.066 119.874 119.800 0.014 0.000 2.878 400 Q HA 0.315 4.655 4.340 -0.000 0.000 0.232 400 Q C 0.394 176.402 176.000 0.014 0.000 0.893 400 Q CA -0.439 55.371 55.803 0.012 0.000 0.742 400 Q CB 1.167 29.916 28.738 0.018 0.000 1.354 400 Q HN -0.015 nan 8.270 nan 0.000 0.466 401 L N -0.230 120.995 121.223 0.003 0.000 2.376 401 L HA 0.000 4.340 4.340 -0.000 0.000 0.219 401 L C 0.506 177.391 176.870 0.024 0.000 1.133 401 L CA 0.881 55.735 54.840 0.023 0.000 0.816 401 L CB -1.030 41.045 42.059 0.027 0.000 0.933 401 L HN 0.664 nan 8.230 nan 0.000 0.449 402 S N 0.485 116.191 115.700 0.009 0.000 3.783 402 S HA -0.168 4.302 4.470 -0.000 0.000 0.360 402 S C 0.451 175.066 174.600 0.025 0.000 1.006 402 S CA 0.826 59.042 58.200 0.027 0.000 1.115 402 S CB -1.148 62.074 63.200 0.037 0.000 0.893 402 S HN 0.729 nan 8.310 nan 0.000 0.475 403 Q N 0.056 119.836 119.800 -0.034 0.000 3.017 403 Q HA 0.897 5.237 4.340 -0.000 0.000 0.299 403 Q C -0.180 175.731 176.000 -0.149 0.000 1.046 403 Q CA -1.028 54.731 55.803 -0.073 0.000 0.821 403 Q CB 1.083 29.739 28.738 -0.137 0.000 1.481 403 Q HN 0.470 nan 8.270 nan 0.000 0.494 404 I N 0.389 120.835 120.570 -0.207 0.000 2.619 404 I HA 0.474 4.644 4.170 -0.000 0.000 0.292 404 I C -1.852 174.072 176.117 -0.321 0.000 1.100 404 I CA -1.411 59.685 61.300 -0.339 0.000 1.043 404 I CB 1.931 39.745 38.000 -0.311 0.000 1.239 404 I HN 0.607 nan 8.210 nan 0.000 0.420 405 L N 8.189 129.178 121.223 -0.390 0.000 2.356 405 L HA 0.666 5.006 4.340 -0.000 0.000 0.264 405 L C -0.022 176.689 176.870 -0.265 0.000 1.029 405 L CA -0.166 54.511 54.840 -0.272 0.000 0.897 405 L CB 0.673 42.558 42.059 -0.291 0.000 1.256 405 L HN 0.663 nan 8.230 nan 0.000 0.444 406 A N 5.737 128.441 122.820 -0.192 0.000 2.332 406 A HA 0.686 5.006 4.320 -0.000 0.000 0.258 406 A C -2.375 175.122 177.584 -0.144 0.000 1.087 406 A CA -1.169 50.773 52.037 -0.159 0.000 0.802 406 A CB -0.452 18.492 19.000 -0.094 0.000 1.042 406 A HN 0.604 nan 8.150 nan 0.000 0.489 407 P HA 0.051 nan 4.420 nan 0.000 0.265 407 P C 0.269 177.506 177.300 -0.105 0.000 1.187 407 P CA 0.822 63.840 63.100 -0.136 0.000 0.766 407 P CB 0.249 31.881 31.700 -0.113 0.000 0.820 408 N N 0.201 118.830 118.700 -0.120 0.000 2.878 408 N HA -0.167 4.573 4.740 -0.000 0.000 0.247 408 N C -0.685 174.778 175.510 -0.078 0.000 1.021 408 N CA 1.004 54.002 53.050 -0.088 0.000 0.873 408 N CB -1.493 36.971 38.487 -0.038 0.000 1.128 408 N HN 0.410 nan 8.380 nan 0.000 0.571 409 N N -0.645 117.988 118.700 -0.112 0.000 2.381 409 N HA 0.432 5.172 4.740 -0.000 0.000 0.294 409 N C -0.758 174.682 175.510 -0.117 0.000 1.216 409 N CA -0.227 52.801 53.050 -0.038 0.000 0.803 409 N CB 0.513 39.003 38.487 0.006 0.000 1.372 409 N HN 0.086 nan 8.380 nan 0.000 0.500 410 Y N -0.134 120.170 120.300 0.008 0.000 2.453 410 Y HA 0.421 4.971 4.550 0.000 0.000 0.326 410 Y C -0.569 175.395 175.900 0.107 0.000 1.186 410 Y CA -0.578 57.538 58.100 0.026 0.000 1.200 410 Y CB 1.335 39.793 38.460 -0.003 0.000 1.247 410 Y HN 0.424 nan 8.280 nan 0.000 0.482 411 Y N 3.613 124.011 120.300 0.163 0.000 2.354 411 Y HA 0.502 5.052 4.550 0.000 0.000 0.330 411 Y C -3.022 172.982 175.900 0.174 0.000 1.011 411 Y CA -2.929 55.245 58.100 0.123 0.000 1.099 411 Y CB 1.753 40.246 38.460 0.055 0.000 1.179 411 Y HN 0.343 nan 8.280 nan 0.000 0.442 412 P HA 0.173 nan 4.420 nan 0.000 0.274 412 P C -0.724 176.517 177.300 -0.098 0.000 1.237 412 P CA -0.190 62.603 63.100 -0.511 0.000 0.793 412 P CB 0.738 32.162 31.700 -0.460 0.000 0.977 413 S N 1.540 117.232 115.700 -0.014 0.000 2.560 413 S HA -0.006 4.464 4.470 -0.000 0.000 0.276 413 S C 1.073 175.650 174.600 -0.039 0.000 1.350 413 S CA -0.218 58.001 58.200 0.031 0.000 1.024 413 S CB 0.156 63.379 63.200 0.037 0.000 0.864 413 S HN 0.305 nan 8.310 nan 0.000 0.536 414 K N 1.734 122.094 120.400 -0.068 0.000 2.360 414 K HA -0.097 4.223 4.320 -0.000 0.000 0.201 414 K C 1.337 177.882 176.600 -0.092 0.000 1.046 414 K CA 1.032 57.234 56.287 -0.141 0.000 0.945 414 K CB -0.693 31.685 32.500 -0.202 0.000 0.750 414 K HN 0.870 nan 8.250 nan 0.000 0.464 415 N N 0.539 119.205 118.700 -0.057 0.000 2.398 415 N HA -0.024 4.716 4.740 -0.000 0.000 0.188 415 N C 0.472 175.955 175.510 -0.044 0.000 1.122 415 N CA 0.110 53.134 53.050 -0.044 0.000 0.866 415 N CB 0.035 38.507 38.487 -0.025 0.000 0.970 415 N HN 0.088 nan 8.380 nan 0.000 0.462 416 L N -0.066 121.123 121.223 -0.057 0.000 2.286 416 L HA 0.676 5.016 4.340 -0.000 0.000 0.265 416 L C 0.221 177.046 176.870 -0.074 0.000 1.012 416 L CA -1.569 53.234 54.840 -0.061 0.000 0.818 416 L CB 1.421 43.437 42.059 -0.072 0.000 1.337 416 L HN -0.069 nan 8.230 nan 0.000 0.438 417 A N 1.227 124.006 122.820 -0.069 0.000 2.477 417 A HA 0.474 4.794 4.320 -0.000 0.000 0.246 417 A C -2.318 175.214 177.584 -0.088 0.000 1.078 417 A CA -0.799 51.198 52.037 -0.067 0.000 0.770 417 A CB -0.640 18.328 19.000 -0.052 0.000 1.011 417 A HN 0.386 nan 8.150 nan 0.000 0.494 418 P HA 0.273 nan 4.420 nan 0.000 0.274 418 P C -0.498 176.760 177.300 -0.070 0.000 1.260 418 P CA -0.258 62.793 63.100 -0.081 0.000 0.793 418 P CB 0.386 32.047 31.700 -0.065 0.000 1.048 419 I N 0.199 120.735 120.570 -0.056 0.000 2.365 419 I HA 0.397 4.567 4.170 -0.000 0.000 0.291 419 I C 0.372 176.480 176.117 -0.016 0.000 1.004 419 I CA -0.540 60.749 61.300 -0.019 0.000 1.311 419 I CB 0.953 38.980 38.000 0.046 0.000 1.401 419 I HN 0.280 nan 8.210 nan 0.000 0.491 420 A N 7.618 130.432 122.820 -0.009 0.000 2.305 420 A HA 0.660 4.980 4.320 -0.000 0.000 0.322 420 A C -0.375 177.210 177.584 0.002 0.000 1.187 420 A CA -0.650 51.381 52.037 -0.010 0.000 0.825 420 A CB 0.630 19.621 19.000 -0.015 0.000 1.164 420 A HN 0.703 nan 8.150 nan 0.000 0.498 421 L N 2.891 124.115 121.223 0.002 0.000 2.433 421 L HA 0.142 4.482 4.340 -0.000 0.000 0.275 421 L C -0.283 176.591 176.870 0.008 0.000 1.128 421 L CA -0.258 54.589 54.840 0.011 0.000 0.875 421 L CB -0.389 41.677 42.059 0.011 0.000 1.171 421 L HN 0.802 nan 8.230 nan 0.000 0.463 422 N N 1.782 120.486 118.700 0.007 0.000 2.522 422 N HA -0.143 4.597 4.740 -0.000 0.000 0.281 422 N C -0.196 175.308 175.510 -0.011 0.000 1.267 422 N CA 0.884 53.933 53.050 -0.001 0.000 0.675 422 N CB -0.537 37.956 38.487 0.011 0.000 0.890 422 N HN 0.837 nan 8.380 nan 0.000 0.542 423 A N 0.967 123.770 122.820 -0.028 0.000 2.425 423 A HA 0.126 4.446 4.320 -0.000 0.000 0.242 423 A C 1.493 179.057 177.584 -0.033 0.000 1.077 423 A CA 0.436 52.453 52.037 -0.033 0.000 0.781 423 A CB 0.474 19.446 19.000 -0.047 0.000 1.020 423 A HN 0.643 nan 8.150 nan 0.000 0.494 424 Q N 0.131 119.921 119.800 -0.017 0.000 2.030 424 Q HA -0.250 4.090 4.340 -0.000 0.000 0.204 424 Q C 1.190 177.192 176.000 0.004 0.000 0.986 424 Q CA 2.342 58.147 55.803 0.003 0.000 0.843 424 Q CB -0.255 28.488 28.738 0.008 0.000 0.904 424 Q HN 0.895 nan 8.270 nan 0.000 0.420 425 D N 0.692 121.078 120.400 -0.023 0.000 2.221 425 D HA -0.132 4.508 4.640 -0.000 0.000 0.204 425 D C -0.102 176.082 176.300 -0.193 0.000 0.982 425 D CA 0.859 54.838 54.000 -0.034 0.000 0.857 425 D CB -0.264 40.513 40.800 -0.039 0.000 0.934 425 D HN 0.256 nan 8.370 nan 0.000 0.475 426 D N -2.175 118.063 120.400 -0.270 0.000 2.264 426 D HA 0.149 4.789 4.640 -0.000 0.000 0.249 426 D C 0.317 176.383 176.300 -0.391 0.000 1.070 426 D CA -0.327 53.340 54.000 -0.554 0.000 0.912 426 D CB 0.495 41.102 40.800 -0.321 0.000 1.193 426 D HN 0.091 nan 8.370 nan 0.000 0.427 427 F N 0.011 119.971 119.950 0.016 0.000 2.784 427 F HA 0.259 4.786 4.527 -0.000 0.000 0.316 427 F C 2.064 177.874 175.800 0.017 0.000 1.026 427 F CA -0.481 57.528 58.000 0.015 0.000 1.188 427 F CB -0.542 38.465 39.000 0.013 0.000 0.999 427 F HN 0.318 nan 8.300 nan 0.000 0.605 428 S N 0.776 116.593 115.700 0.194 0.000 2.489 428 S HA 0.001 4.471 4.470 -0.000 0.000 0.228 428 S C 0.997 175.635 174.600 0.062 0.000 0.995 428 S CA 0.472 58.766 58.200 0.156 0.000 0.934 428 S CB -0.928 62.363 63.200 0.152 0.000 0.771 428 S HN 0.422 nan 8.310 nan 0.000 0.522 429 S N 1.731 117.437 115.700 0.009 0.000 2.573 429 S HA 0.019 4.489 4.470 -0.000 0.000 0.297 429 S C 0.061 174.679 174.600 0.030 0.000 1.280 429 S CA -0.136 58.068 58.200 0.006 0.000 1.061 429 S CB 0.043 63.234 63.200 -0.015 0.000 0.812 429 S HN 0.304 nan 8.310 nan 0.000 0.500 430 T N 6.144 120.717 114.554 0.030 0.000 2.751 430 T HA 0.293 4.643 4.350 -0.000 0.000 0.290 430 T C -2.228 172.493 174.700 0.034 0.000 0.919 430 T CA -0.637 61.484 62.100 0.035 0.000 1.136 430 T CB -0.036 68.853 68.868 0.034 0.000 0.875 430 T HN 0.542 nan 8.240 nan 0.000 0.532 431 P HA 0.184 nan 4.420 nan 0.000 0.268 431 P C -0.240 177.082 177.300 0.037 0.000 1.205 431 P CA -0.258 62.863 63.100 0.036 0.000 0.771 431 P CB 0.377 32.100 31.700 0.038 0.000 0.858 432 I N 1.874 122.466 120.570 0.037 0.000 2.352 432 I HA 0.254 4.424 4.170 -0.000 0.000 0.290 432 I C 0.821 176.967 176.117 0.048 0.000 1.036 432 I CA 0.090 61.414 61.300 0.040 0.000 1.336 432 I CB 0.931 38.953 38.000 0.037 0.000 1.407 432 I HN 0.249 nan 8.210 nan 0.000 0.497 433 T N 7.535 122.121 114.554 0.052 0.000 2.861 433 T HA 0.692 5.042 4.350 -0.000 0.000 0.287 433 T C -0.622 174.122 174.700 0.073 0.000 1.003 433 T CA -0.628 61.509 62.100 0.061 0.000 0.977 433 T CB 1.062 69.962 68.868 0.053 0.000 0.996 433 T HN 0.459 nan 8.240 nan 0.000 0.448 434 M N 3.889 123.547 119.600 0.096 0.000 2.602 434 M HA 0.469 4.949 4.480 -0.000 0.000 0.312 434 M C 0.018 176.389 176.300 0.119 0.000 1.181 434 M CA -1.123 54.245 55.300 0.114 0.000 0.910 434 M CB 1.984 34.678 32.600 0.157 0.000 1.723 434 M HN 0.789 nan 8.290 nan 0.000 0.459 435 N N 0.076 118.846 118.700 0.118 0.000 2.405 435 N HA 0.090 4.830 4.740 -0.000 0.000 0.269 435 N C 0.346 175.961 175.510 0.176 0.000 1.249 435 N CA -0.396 52.733 53.050 0.131 0.000 0.974 435 N CB 0.242 38.798 38.487 0.115 0.000 1.204 435 N HN 0.683 nan 8.380 nan 0.000 0.565 436 Y N 0.073 120.410 120.300 0.062 0.000 2.128 436 Y HA -0.210 4.340 4.550 -0.000 0.000 0.284 436 Y C 1.383 177.360 175.900 0.129 0.000 1.154 436 Y CA 2.065 60.203 58.100 0.064 0.000 1.149 436 Y CB -0.380 38.093 38.460 0.022 0.000 0.976 436 Y HN 0.539 nan 8.280 nan 0.000 0.505 437 N N 0.145 118.955 118.700 0.183 0.000 2.106 437 N HA -0.171 4.569 4.740 -0.000 0.000 0.188 437 N C 1.768 177.305 175.510 0.045 0.000 1.029 437 N CA 1.791 54.899 53.050 0.096 0.000 0.848 437 N CB -0.554 38.009 38.487 0.127 0.000 1.007 437 N HN 0.530 nan 8.380 nan 0.000 0.423 438 Q N -0.336 119.510 119.800 0.076 0.000 2.030 438 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 438 Q C 1.837 177.875 176.000 0.063 0.000 0.986 438 Q CA 1.354 57.194 55.803 0.062 0.000 0.843 438 Q CB -0.370 28.414 28.738 0.077 0.000 0.904 438 Q HN 0.376 nan 8.270 nan 0.000 0.420 439 F N 1.322 121.243 119.950 -0.047 0.000 2.120 439 F HA -0.266 4.261 4.527 -0.000 0.000 0.300 439 F C 1.829 177.580 175.800 -0.081 0.000 1.095 439 F CA 1.302 59.276 58.000 -0.043 0.000 1.249 439 F CB -0.068 38.894 39.000 -0.063 0.000 0.995 439 F HN -0.007 nan 8.300 nan 0.000 0.480 440 L N 0.042 121.302 121.223 0.062 0.000 2.012 440 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 440 L C 2.525 179.331 176.870 -0.107 0.000 1.073 440 L CA 2.080 56.890 54.840 -0.050 0.000 0.748 440 L CB -0.947 41.040 42.059 -0.119 0.000 0.891 440 L HN 0.276 nan 8.230 nan 0.000 0.431 441 E N 0.309 120.461 120.200 -0.080 0.000 2.077 441 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 441 E C 2.328 178.852 176.600 -0.126 0.000 0.989 441 E CA 0.866 57.214 56.400 -0.087 0.000 0.800 441 E CB 0.007 29.678 29.700 -0.048 0.000 0.746 441 E HN 0.318 nan 8.360 nan 0.000 0.452 442 L N 1.437 122.573 121.223 -0.145 0.000 2.079 442 L HA -0.206 4.133 4.340 -0.000 0.000 0.210 442 L C 2.140 178.876 176.870 -0.223 0.000 1.081 442 L CA 2.130 56.873 54.840 -0.163 0.000 0.752 442 L CB -0.728 41.217 42.059 -0.189 0.000 0.896 442 L HN 0.308 nan 8.230 nan 0.000 0.433 443 E N -0.331 119.661 120.200 -0.347 0.000 2.158 443 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 443 E C 2.057 178.399 176.600 -0.430 0.000 0.982 443 E CA 0.619 56.708 56.400 -0.519 0.000 0.823 443 E CB 0.140 29.550 29.700 -0.484 0.000 0.766 443 E HN 0.459 nan 8.360 nan 0.000 0.468 444 K N -0.351 119.883 120.400 -0.278 0.000 2.211 444 K HA -0.078 4.242 4.320 -0.000 0.000 0.203 444 K C 2.129 178.599 176.600 -0.216 0.000 1.050 444 K CA 1.651 57.800 56.287 -0.230 0.000 0.945 444 K CB 0.110 32.514 32.500 -0.159 0.000 0.732 444 K HN 0.252 nan 8.250 nan 0.000 0.451 445 T N -2.584 111.857 114.554 -0.188 0.000 3.018 445 T HA 0.088 4.438 4.350 -0.000 0.000 0.246 445 T C 0.499 175.115 174.700 -0.140 0.000 1.026 445 T CA -0.298 61.714 62.100 -0.147 0.000 1.081 445 T CB 0.268 69.075 68.868 -0.102 0.000 0.970 445 T HN -0.091 nan 8.240 nan 0.000 0.475 446 K N 1.354 121.670 120.400 -0.141 0.000 3.035 446 K HA -0.192 4.128 4.320 -0.000 0.000 0.262 446 K C -0.176 176.417 176.600 -0.012 0.000 1.024 446 K CA 0.887 57.139 56.287 -0.059 0.000 0.748 446 K CB -2.041 30.410 32.500 -0.082 0.000 1.247 446 K HN 0.873 nan 8.250 nan 0.000 0.482 447 Q N -0.230 119.555 119.800 -0.024 0.000 2.295 447 Q HA 0.594 4.934 4.340 -0.000 0.000 0.268 447 Q C -1.193 174.800 176.000 -0.011 0.000 1.010 447 Q CA -0.751 55.043 55.803 -0.015 0.000 0.856 447 Q CB 1.505 30.224 28.738 -0.033 0.000 1.349 447 Q HN 0.190 nan 8.270 nan 0.000 0.412 448 L N 1.905 123.129 121.223 0.001 0.000 2.293 448 L HA 0.770 5.110 4.340 -0.000 0.000 0.264 448 L C -0.564 176.308 176.870 0.004 0.000 1.029 448 L CA -1.195 53.647 54.840 0.002 0.000 0.897 448 L CB 2.112 44.176 42.059 0.008 0.000 1.497 448 L HN 0.671 nan 8.230 nan 0.000 0.495 449 R N 0.664 121.168 120.500 0.008 0.000 2.535 449 R HA 0.468 4.808 4.340 -0.000 0.000 0.274 449 R C -2.143 174.168 176.300 0.019 0.000 1.090 449 R CA -0.648 55.459 56.100 0.011 0.000 0.930 449 R CB 1.342 31.646 30.300 0.006 0.000 1.223 449 R HN 0.288 nan 8.270 nan 0.000 0.441 450 L N 3.841 125.080 121.223 0.027 0.000 2.272 450 L HA 0.421 4.761 4.340 -0.000 0.000 0.289 450 L C -0.710 176.189 176.870 0.050 0.000 1.032 450 L CA -0.312 54.551 54.840 0.038 0.000 0.810 450 L CB 1.453 43.538 42.059 0.043 0.000 1.205 450 L HN 0.666 nan 8.230 nan 0.000 0.422 451 D N 2.501 122.932 120.400 0.051 0.000 2.454 451 D HA 0.264 4.904 4.640 -0.000 0.000 0.225 451 D C -0.037 176.310 176.300 0.078 0.000 1.081 451 D CA -0.063 53.971 54.000 0.058 0.000 0.864 451 D CB 1.490 42.315 40.800 0.043 0.000 1.040 451 D HN 0.352 nan 8.370 nan 0.000 0.517 452 T N 1.959 116.576 114.554 0.105 0.000 2.767 452 T HA 0.249 4.599 4.350 -0.000 0.000 0.284 452 T C 0.434 175.209 174.700 0.125 0.000 0.973 452 T CA -0.860 61.323 62.100 0.139 0.000 0.996 452 T CB 1.315 70.298 68.868 0.192 0.000 0.927 452 T HN 0.319 nan 8.240 nan 0.000 0.456 453 D N 2.449 122.909 120.400 0.100 0.000 2.376 453 D HA 0.059 4.699 4.640 -0.000 0.000 0.268 453 D C 0.379 176.667 176.300 -0.020 0.000 1.252 453 D CA -0.358 53.664 54.000 0.037 0.000 1.041 453 D CB 0.532 41.339 40.800 0.011 0.000 1.109 453 D HN 0.442 nan 8.370 nan 0.000 0.552 454 Q N -0.786 118.887 119.800 -0.212 0.000 2.155 454 Q HA 0.242 4.582 4.340 -0.000 0.000 0.273 454 Q C -0.653 174.849 176.000 -0.830 0.000 0.857 454 Q CA -0.361 55.004 55.803 -0.731 0.000 1.116 454 Q CB 1.149 29.585 28.738 -0.503 0.000 1.209 454 Q HN 0.429 nan 8.270 nan 0.000 0.460 455 V N -0.930 118.769 119.914 -0.359 0.000 2.326 455 V HA 0.162 4.282 4.120 -0.000 0.000 0.249 455 V C -0.065 176.066 176.094 0.062 0.000 1.114 455 V CA -0.162 62.058 62.300 -0.133 0.000 1.028 455 V CB -0.636 31.179 31.823 -0.014 0.000 1.170 455 V HN 0.233 nan 8.190 nan 0.000 0.494 456 Y N 3.958 124.315 120.300 0.095 0.000 2.458 456 Y HA 0.593 5.143 4.550 -0.000 0.000 0.256 456 Y C 1.657 177.707 175.900 0.251 0.000 1.159 456 Y CA -0.466 57.683 58.100 0.081 0.000 1.261 456 Y CB -0.194 38.184 38.460 -0.137 0.000 1.119 456 Y HN 1.019 nan 8.280 nan 0.000 0.524 457 G N 0.845 109.865 108.800 0.366 0.000 2.584 457 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.229 457 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.229 457 G C -0.271 174.804 174.900 0.292 0.000 1.320 457 G CA -0.508 44.757 45.100 0.274 0.000 0.891 457 G HN 0.214 nan 8.290 nan 0.000 0.573 458 N N -0.250 118.553 118.700 0.173 0.000 2.434 458 N HA 0.609 5.349 4.740 -0.000 0.000 0.266 458 N C 0.230 175.750 175.510 0.016 0.000 1.223 458 N CA -0.153 52.921 53.050 0.040 0.000 0.972 458 N CB 0.701 39.190 38.487 0.002 0.000 1.207 458 N HN 0.580 nan 8.380 nan 0.000 0.525 459 I N 0.571 121.032 120.570 -0.182 0.000 2.377 459 I HA 0.336 4.506 4.170 -0.000 0.000 0.293 459 I C 0.249 176.293 176.117 -0.123 0.000 0.987 459 I CA -1.066 60.096 61.300 -0.231 0.000 1.185 459 I CB 1.589 39.212 38.000 -0.629 0.000 1.341 459 I HN 0.386 nan 8.210 nan 0.000 0.455 460 A N 4.490 127.276 122.820 -0.057 0.000 2.396 460 A HA 0.443 4.763 4.320 -0.000 0.000 0.279 460 A C 0.097 177.694 177.584 0.022 0.000 1.165 460 A CA 0.056 52.002 52.037 -0.153 0.000 0.824 460 A CB 0.221 18.967 19.000 -0.423 0.000 1.100 460 A HN 0.703 nan 8.150 nan 0.000 0.516 461 T N 1.610 116.166 114.554 0.003 0.000 2.945 461 T HA 0.507 4.857 4.350 -0.000 0.000 0.286 461 T C -0.753 174.019 174.700 0.120 0.000 1.025 461 T CA -0.337 61.820 62.100 0.095 0.000 1.039 461 T CB 0.538 69.438 68.868 0.053 0.000 1.068 461 T HN 0.502 nan 8.240 nan 0.000 0.497 462 Y N 3.576 123.909 120.300 0.056 0.000 2.304 462 Y HA 0.497 5.047 4.550 -0.000 0.000 0.328 462 Y C 0.020 175.894 175.900 -0.044 0.000 1.123 462 Y CA -0.560 57.521 58.100 -0.031 0.000 1.218 462 Y CB 0.690 39.093 38.460 -0.095 0.000 1.207 462 Y HN 0.531 nan 8.280 nan 0.000 0.495 463 N N 5.974 124.250 118.700 -0.706 0.000 2.392 463 N HA 0.162 4.902 4.740 -0.000 0.000 0.283 463 N C -0.577 174.608 175.510 -0.541 0.000 1.003 463 N CA -0.348 52.465 53.050 -0.396 0.000 0.892 463 N CB 0.870 39.219 38.487 -0.229 0.000 1.193 463 N HN 0.721 nan 8.380 nan 0.000 0.487 464 F N 0.872 120.758 119.950 -0.106 0.000 2.795 464 F HA 0.015 4.542 4.527 -0.000 0.000 0.303 464 F C 2.002 177.797 175.800 -0.008 0.000 1.186 464 F CA 0.223 58.248 58.000 0.040 0.000 1.415 464 F CB 0.345 39.421 39.000 0.127 0.000 1.106 464 F HN 0.487 nan 8.300 nan 0.000 0.558 465 E N 0.136 120.360 120.200 0.041 0.000 2.175 465 E HA -0.017 4.333 4.350 -0.000 0.000 0.195 465 E C 0.764 177.354 176.600 -0.018 0.000 0.934 465 E CA 0.792 57.208 56.400 0.026 0.000 0.870 465 E CB -0.487 29.219 29.700 0.011 0.000 0.838 465 E HN 0.417 nan 8.360 nan 0.000 0.474 466 N N -0.241 118.406 118.700 -0.088 0.000 2.184 466 N HA 0.139 4.879 4.740 -0.000 0.000 0.234 466 N C 1.080 176.508 175.510 -0.137 0.000 1.282 466 N CA 0.369 53.371 53.050 -0.080 0.000 0.877 466 N CB 0.733 39.183 38.487 -0.061 0.000 1.184 466 N HN 0.269 nan 8.380 nan 0.000 0.510 467 G N 1.082 109.705 108.800 -0.296 0.000 2.166 467 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.260 467 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.260 467 G C 0.116 174.781 174.900 -0.391 0.000 0.986 467 G CA 0.462 45.299 45.100 -0.438 0.000 0.683 467 G HN 0.652 nan 8.290 nan 0.000 0.527 468 R N -0.158 120.148 120.500 -0.323 0.000 2.590 468 R HA 0.477 4.817 4.340 -0.000 0.000 0.274 468 R C 0.158 176.332 176.300 -0.210 0.000 1.061 468 R CA -0.002 55.980 56.100 -0.196 0.000 1.081 468 R CB 0.747 30.964 30.300 -0.138 0.000 0.984 468 R HN 0.242 nan 8.270 nan 0.000 0.448 469 V N 6.752 126.606 119.914 -0.101 0.000 2.257 469 V HA 0.408 4.528 4.120 -0.000 0.000 0.269 469 V C 0.113 176.147 176.094 -0.099 0.000 1.040 469 V CA -0.473 61.790 62.300 -0.061 0.000 0.813 469 V CB 0.504 32.338 31.823 0.019 0.000 1.065 469 V HN 0.703 nan 8.190 nan 0.000 0.457 470 R N 2.584 123.019 120.500 -0.109 0.000 2.720 470 R HA 0.664 5.004 4.340 -0.000 0.000 0.272 470 R C -0.811 175.395 176.300 -0.157 0.000 0.991 470 R CA -0.995 55.027 56.100 -0.130 0.000 1.010 470 R CB 2.168 32.412 30.300 -0.093 0.000 1.141 470 R HN 0.339 nan 8.270 nan 0.000 0.494 471 V N 2.317 122.119 119.914 -0.185 0.000 2.450 471 V HA -0.064 4.056 4.120 -0.000 0.000 0.281 471 V C 0.200 176.233 176.094 -0.101 0.000 1.019 471 V CA 0.296 62.496 62.300 -0.167 0.000 1.062 471 V CB 0.468 32.209 31.823 -0.136 0.000 0.979 471 V HN 0.586 nan 8.190 nan 0.000 0.477 472 D N 4.386 124.727 120.400 -0.098 0.000 2.336 472 D HA 0.061 4.701 4.640 -0.000 0.000 0.249 472 D C 1.467 177.720 176.300 -0.078 0.000 1.213 472 D CA 0.144 54.094 54.000 -0.083 0.000 0.870 472 D CB 1.603 42.349 40.800 -0.090 0.000 1.076 472 D HN 0.723 nan 8.370 nan 0.000 0.483 473 T N 0.284 114.803 114.554 -0.059 0.000 3.007 473 T HA -0.006 4.344 4.350 -0.000 0.000 0.270 473 T C 1.594 176.262 174.700 -0.053 0.000 1.107 473 T CA 0.593 62.666 62.100 -0.046 0.000 1.118 473 T CB 0.047 68.895 68.868 -0.033 0.000 0.889 473 T HN 0.340 nan 8.240 nan 0.000 0.506 474 G N 0.110 108.869 108.800 -0.067 0.000 3.189 474 G HA2 0.333 4.293 3.960 -0.000 0.000 0.225 474 G HA3 0.333 4.293 3.960 -0.000 0.000 0.225 474 G C 0.187 175.027 174.900 -0.100 0.000 1.159 474 G CA -0.274 44.781 45.100 -0.075 0.000 0.763 474 G HN 0.523 nan 8.290 nan 0.000 0.549 475 S N 0.406 116.035 115.700 -0.119 0.000 2.596 475 S HA 0.543 5.013 4.470 -0.000 0.000 0.318 475 S C -1.261 173.224 174.600 -0.192 0.000 1.097 475 S CA -0.842 57.255 58.200 -0.172 0.000 1.080 475 S CB 1.114 64.188 63.200 -0.210 0.000 0.991 475 S HN 0.209 nan 8.310 nan 0.000 0.471 476 N N 3.302 121.896 118.700 -0.175 0.000 2.258 476 N HA 0.296 5.036 4.740 -0.000 0.000 0.299 476 N C 0.288 175.744 175.510 -0.090 0.000 1.047 476 N CA -0.711 52.270 53.050 -0.114 0.000 0.814 476 N CB 1.013 39.487 38.487 -0.022 0.000 1.413 476 N HN 0.756 nan 8.380 nan 0.000 0.478 477 W N 1.308 122.642 121.300 0.056 0.000 2.364 477 W HA -0.181 4.478 4.660 -0.000 0.000 0.281 477 W C 2.374 178.903 176.519 0.017 0.000 1.219 477 W CA 1.192 58.582 57.345 0.075 0.000 1.220 477 W CB 0.053 29.615 29.460 0.170 0.000 1.127 477 W HN 0.679 nan 8.180 nan 0.000 0.556 478 S N 0.557 116.375 115.700 0.197 0.000 2.419 478 S HA -0.251 4.219 4.470 -0.000 0.000 0.233 478 S C 1.511 176.146 174.600 0.058 0.000 1.016 478 S CA 1.525 59.778 58.200 0.087 0.000 0.974 478 S CB -0.692 62.535 63.200 0.046 0.000 0.786 478 S HN 0.619 nan 8.310 nan 0.000 0.492 479 E N 0.254 120.481 120.200 0.044 0.000 2.474 479 E HA 0.206 4.556 4.350 -0.000 0.000 0.194 479 E C 1.575 178.188 176.600 0.021 0.000 1.041 479 E CA 0.380 56.788 56.400 0.013 0.000 0.874 479 E CB 0.199 29.888 29.700 -0.018 0.000 0.914 479 E HN 0.441 nan 8.360 nan 0.000 0.498 480 V N 0.386 120.338 119.914 0.062 0.000 3.307 480 V HA 0.084 4.204 4.120 -0.000 0.000 0.244 480 V C 1.881 178.045 176.094 0.116 0.000 1.196 480 V CA 0.152 62.499 62.300 0.079 0.000 1.132 480 V CB 0.061 31.921 31.823 0.062 0.000 0.875 480 V HN 0.239 nan 8.190 nan 0.000 0.468 481 L N 1.658 122.976 121.223 0.157 0.000 1.989 481 L HA -0.065 4.275 4.340 -0.000 0.000 0.211 481 L C -0.097 176.777 176.870 0.006 0.000 1.071 481 L CA 2.254 57.147 54.840 0.088 0.000 0.749 481 L CB -1.769 40.342 42.059 0.086 0.000 0.890 481 L HN 0.360 nan 8.230 nan 0.000 0.431 482 P HA -0.154 nan 4.420 nan 0.000 0.228 482 P C 1.115 178.413 177.300 -0.003 0.000 1.151 482 P CA 1.130 64.228 63.100 -0.003 0.000 0.770 482 P CB 0.040 31.742 31.700 0.003 0.000 0.786 483 Q N -0.490 119.314 119.800 0.007 0.000 2.204 483 Q HA 0.080 4.420 4.340 -0.000 0.000 0.198 483 Q C 2.448 178.449 176.000 0.002 0.000 0.946 483 Q CA 0.693 56.502 55.803 0.011 0.000 0.859 483 Q CB -0.599 28.154 28.738 0.025 0.000 0.946 483 Q HN 0.366 nan 8.270 nan 0.000 0.474 484 I N 1.278 121.840 120.570 -0.013 0.000 2.163 484 I HA -0.314 3.856 4.170 -0.000 0.000 0.243 484 I C 2.182 178.254 176.117 -0.076 0.000 1.085 484 I CA 1.360 62.628 61.300 -0.053 0.000 1.347 484 I CB -0.281 37.630 38.000 -0.148 0.000 1.044 484 I HN 0.239 nan 8.210 nan 0.000 0.408 485 Q N 0.226 119.975 119.800 -0.086 0.000 2.364 485 Q HA -0.148 4.192 4.340 -0.000 0.000 0.207 485 Q C 1.435 177.420 176.000 -0.026 0.000 0.970 485 Q CA 0.814 56.579 55.803 -0.064 0.000 0.888 485 Q CB 0.046 28.752 28.738 -0.053 0.000 0.951 485 Q HN 0.485 nan 8.270 nan 0.000 0.469 486 E N -0.394 119.796 120.200 -0.017 0.000 2.476 486 E HA -0.003 4.347 4.350 -0.000 0.000 0.199 486 E C 1.404 178.004 176.600 -0.001 0.000 1.021 486 E CA 0.839 57.236 56.400 -0.005 0.000 0.907 486 E CB 0.865 30.564 29.700 -0.002 0.000 0.974 486 E HN 0.394 nan 8.360 nan 0.000 0.489 487 T N -2.164 112.389 114.554 -0.001 0.000 3.043 487 T HA 0.085 4.435 4.350 -0.000 0.000 0.272 487 T C 0.841 175.545 174.700 0.007 0.000 0.990 487 T CA -0.065 62.039 62.100 0.007 0.000 0.897 487 T CB 0.213 69.091 68.868 0.017 0.000 1.111 487 T HN 0.019 nan 8.240 nan 0.000 0.529 488 T N 0.168 114.722 114.554 0.000 0.000 2.912 488 T HA 0.820 5.170 4.350 -0.000 0.000 0.288 488 T C -0.269 174.435 174.700 0.007 0.000 1.030 488 T CA -0.722 61.381 62.100 0.006 0.000 1.020 488 T CB 1.784 70.654 68.868 0.004 0.000 1.056 488 T HN 0.381 nan 8.240 nan 0.000 0.480 489 A N 2.119 124.945 122.820 0.010 0.000 2.301 489 A HA 0.663 4.983 4.320 -0.000 0.000 0.298 489 A C 0.307 177.914 177.584 0.037 0.000 1.185 489 A CA -0.877 51.168 52.037 0.013 0.000 0.830 489 A CB 0.370 19.367 19.000 -0.004 0.000 1.112 489 A HN 0.938 nan 8.150 nan 0.000 0.508 490 R N 2.760 123.292 120.500 0.052 0.000 2.294 490 R HA 0.621 4.961 4.340 -0.000 0.000 0.319 490 R C -1.345 175.012 176.300 0.095 0.000 0.984 490 R CA -0.330 55.819 56.100 0.081 0.000 0.861 490 R CB 0.498 30.847 30.300 0.083 0.000 1.104 490 R HN 0.698 nan 8.270 nan 0.000 0.451 491 I N 6.544 127.204 120.570 0.149 0.000 2.436 491 I HA 0.349 4.519 4.170 -0.000 0.000 0.289 491 I C -0.294 175.967 176.117 0.241 0.000 1.010 491 I CA -0.825 60.587 61.300 0.186 0.000 1.098 491 I CB 1.943 40.117 38.000 0.291 0.000 1.266 491 I HN 0.516 nan 8.210 nan 0.000 0.434 492 I N 5.958 126.545 120.570 0.029 0.000 2.441 492 I HA 0.421 4.591 4.170 -0.000 0.000 0.295 492 I C -1.119 174.912 176.117 -0.143 0.000 0.994 492 I CA -0.678 60.599 61.300 -0.038 0.000 1.144 492 I CB 1.992 39.842 38.000 -0.250 0.000 1.314 492 I HN 0.408 nan 8.210 nan 0.000 0.445 493 F N 6.909 126.613 119.950 -0.410 0.000 2.671 493 F HA 0.329 4.856 4.527 -0.000 0.000 0.332 493 F C -0.076 175.504 175.800 -0.366 0.000 1.189 493 F CA -1.051 56.575 58.000 -0.622 0.000 0.988 493 F CB 1.090 39.258 39.000 -1.387 0.000 1.258 493 F HN 0.507 nan 8.300 nan 0.000 0.471 494 N N 3.083 121.342 118.700 -0.734 0.000 2.378 494 N HA 0.171 4.911 4.740 -0.000 0.000 0.243 494 N C 1.046 176.125 175.510 -0.719 0.000 1.137 494 N CA 0.299 53.021 53.050 -0.547 0.000 0.862 494 N CB 0.285 38.629 38.487 -0.239 0.000 1.116 494 N HN 0.746 nan 8.380 nan 0.000 0.499 495 G N 0.337 108.119 108.800 -1.696 0.000 2.551 495 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.216 495 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.216 495 G C 1.354 176.074 174.900 -0.300 0.000 1.137 495 G CA 0.030 44.420 45.100 -1.183 0.000 0.798 495 G HN 0.436 nan 8.290 nan 0.000 0.536 496 K N 0.727 120.975 120.400 -0.254 0.000 2.167 496 K HA -0.047 4.273 4.320 -0.000 0.000 0.203 496 K C 0.334 176.979 176.600 0.075 0.000 1.052 496 K CA 1.573 57.941 56.287 0.135 0.000 0.956 496 K CB 0.283 32.879 32.500 0.160 0.000 0.735 496 K HN 0.373 nan 8.250 nan 0.000 0.451 497 D N -1.218 119.172 120.400 -0.016 0.000 3.710 497 D HA -0.019 4.621 4.640 -0.000 0.000 0.274 497 D C -0.021 176.243 176.300 -0.060 0.000 1.572 497 D CA -0.312 53.681 54.000 -0.010 0.000 0.782 497 D CB -0.689 40.120 40.800 0.014 0.000 1.393 497 D HN 0.033 nan 8.370 nan 0.000 0.671 498 L N -0.370 120.796 121.223 -0.097 0.000 4.625 498 L HA -0.233 4.107 4.340 -0.000 0.000 0.428 498 L C -0.666 176.151 176.870 -0.088 0.000 1.129 498 L CA 0.618 55.389 54.840 -0.115 0.000 0.978 498 L CB -1.961 39.975 42.059 -0.204 0.000 2.043 498 L HN 0.344 nan 8.230 nan 0.000 0.847 499 N N 0.285 118.933 118.700 -0.086 0.000 2.426 499 N HA 0.497 5.237 4.740 -0.000 0.000 0.275 499 N C 0.059 175.517 175.510 -0.087 0.000 1.019 499 N CA -0.451 52.562 53.050 -0.062 0.000 0.941 499 N CB 1.121 39.594 38.487 -0.023 0.000 1.123 499 N HN 0.172 nan 8.380 nan 0.000 0.486 500 L N 1.973 123.152 121.223 -0.073 0.000 2.530 500 L HA 0.117 4.457 4.340 -0.000 0.000 0.273 500 L C -0.117 176.734 176.870 -0.031 0.000 1.141 500 L CA -0.107 54.686 54.840 -0.077 0.000 0.905 500 L CB 0.043 42.067 42.059 -0.059 0.000 1.202 500 L HN 0.068 nan 8.230 nan 0.000 0.473 501 V N 4.077 123.997 119.914 0.010 0.000 2.357 501 V HA 0.211 4.331 4.120 -0.000 0.000 0.284 501 V C 0.186 176.413 176.094 0.222 0.000 1.018 501 V CA -0.619 61.755 62.300 0.123 0.000 0.841 501 V CB 1.688 33.639 31.823 0.215 0.000 0.991 501 V HN 0.729 nan 8.190 nan 0.000 0.437 502 E N 5.033 125.312 120.200 0.132 0.000 2.227 502 E HA 0.644 4.994 4.350 -0.000 0.000 0.282 502 E C -0.675 175.998 176.600 0.122 0.000 1.015 502 E CA -0.749 55.738 56.400 0.145 0.000 0.823 502 E CB 1.106 30.866 29.700 0.099 0.000 1.081 502 E HN 0.499 nan 8.360 nan 0.000 0.396 503 R N 2.241 122.834 120.500 0.155 0.000 2.771 503 R HA 0.507 4.847 4.340 -0.000 0.000 0.274 503 R C -1.108 175.250 176.300 0.097 0.000 0.987 503 R CA -0.682 55.411 56.100 -0.011 0.000 0.908 503 R CB 1.767 31.777 30.300 -0.482 0.000 1.213 503 R HN 0.529 nan 8.270 nan 0.000 0.468 504 R N 1.964 122.538 120.500 0.125 0.000 2.561 504 R HA 0.575 4.915 4.340 -0.000 0.000 0.297 504 R C -0.770 175.565 176.300 0.058 0.000 0.969 504 R CA -0.879 55.289 56.100 0.113 0.000 0.879 504 R CB 1.733 32.115 30.300 0.137 0.000 1.178 504 R HN 0.351 nan 8.270 nan 0.000 0.445 505 I N 1.578 122.165 120.570 0.029 0.000 2.530 505 I HA 0.322 4.492 4.170 -0.000 0.000 0.297 505 I C 0.153 176.281 176.117 0.019 0.000 1.011 505 I CA -0.524 60.782 61.300 0.009 0.000 1.107 505 I CB 2.042 40.029 38.000 -0.023 0.000 1.285 505 I HN 0.642 nan 8.210 nan 0.000 0.436 506 A N 4.765 127.603 122.820 0.031 0.000 2.476 506 A HA 0.660 4.980 4.320 -0.000 0.000 0.275 506 A C 0.159 177.754 177.584 0.018 0.000 1.133 506 A CA 0.044 52.101 52.037 0.034 0.000 0.797 506 A CB -0.629 18.404 19.000 0.054 0.000 1.081 506 A HN 0.824 nan 8.150 nan 0.000 0.510 507 A N 3.092 125.917 122.820 0.009 0.000 2.355 507 A HA 0.651 4.971 4.320 -0.000 0.000 0.324 507 A C -0.040 177.543 177.584 -0.001 0.000 1.117 507 A CA -0.547 51.489 52.037 -0.003 0.000 0.785 507 A CB 0.982 19.973 19.000 -0.015 0.000 1.254 507 A HN 0.909 nan 8.150 nan 0.000 0.453 508 V N 2.353 122.264 119.914 -0.006 0.000 2.740 508 V HA 0.067 4.187 4.120 -0.000 0.000 0.303 508 V C 0.344 176.434 176.094 -0.008 0.000 1.054 508 V CA -0.014 62.284 62.300 -0.004 0.000 1.106 508 V CB 0.913 32.732 31.823 -0.006 0.000 0.957 508 V HN 0.859 nan 8.190 nan 0.000 0.486 509 N N 5.870 124.568 118.700 -0.003 0.000 2.564 509 N HA 0.355 5.095 4.740 -0.000 0.000 0.248 509 N C -1.955 173.552 175.510 -0.005 0.000 0.986 509 N CA -2.165 50.881 53.050 -0.006 0.000 0.921 509 N CB 2.094 40.580 38.487 -0.002 0.000 1.136 509 N HN 0.181 nan 8.380 nan 0.000 0.509 510 P HA -0.156 nan 4.420 nan 0.000 0.216 510 P C 1.143 178.440 177.300 -0.005 0.000 1.150 510 P CA 1.413 64.508 63.100 -0.008 0.000 0.843 510 P CB 0.242 31.935 31.700 -0.012 0.000 0.787 511 S N -2.747 112.950 115.700 -0.005 0.000 2.489 511 S HA -0.044 4.426 4.470 -0.000 0.000 0.228 511 S C 0.860 175.459 174.600 -0.001 0.000 0.995 511 S CA 0.317 58.516 58.200 -0.003 0.000 0.934 511 S CB -0.639 62.559 63.200 -0.004 0.000 0.771 511 S HN 0.018 nan 8.310 nan 0.000 0.522 512 D N 2.058 122.459 120.400 0.000 0.000 2.441 512 D HA 0.386 5.026 4.640 -0.000 0.000 0.231 512 D C -2.057 174.246 176.300 0.005 0.000 1.073 512 D CA -2.395 51.607 54.000 0.003 0.000 0.850 512 D CB 1.949 42.752 40.800 0.004 0.000 1.062 512 D HN -0.059 nan 8.370 nan 0.000 0.524 513 P HA -0.168 nan 4.420 nan 0.000 0.214 513 P C 1.923 179.230 177.300 0.011 0.000 1.169 513 P CA 0.651 63.755 63.100 0.007 0.000 0.908 513 P CB 0.364 32.068 31.700 0.006 0.000 0.791 514 L N -0.686 120.545 121.223 0.013 0.000 2.089 514 L HA -0.239 4.101 4.340 -0.000 0.000 0.213 514 L C 2.138 179.021 176.870 0.022 0.000 1.079 514 L CA 1.801 56.653 54.840 0.019 0.000 0.758 514 L CB -0.457 41.615 42.059 0.021 0.000 0.891 514 L HN 0.033 nan 8.230 nan 0.000 0.433 515 E N -1.029 119.181 120.200 0.017 0.000 2.170 515 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 515 E C 1.985 178.594 176.600 0.014 0.000 0.981 515 E CA 1.439 57.849 56.400 0.017 0.000 0.830 515 E CB -0.402 29.306 29.700 0.013 0.000 0.775 515 E HN 0.549 nan 8.360 nan 0.000 0.470 516 T N -1.651 112.910 114.554 0.011 0.000 3.163 516 T HA 0.004 4.354 4.350 -0.000 0.000 0.260 516 T C 1.622 176.329 174.700 0.012 0.000 1.156 516 T CA 1.128 63.233 62.100 0.008 0.000 1.072 516 T CB -0.161 68.709 68.868 0.004 0.000 0.937 516 T HN -0.108 nan 8.240 nan 0.000 0.528 517 T N 0.741 115.305 114.554 0.018 0.000 3.107 517 T HA 0.234 4.584 4.350 -0.000 0.000 0.249 517 T C 0.607 175.325 174.700 0.029 0.000 1.096 517 T CA -0.192 61.922 62.100 0.023 0.000 1.012 517 T CB -0.159 68.724 68.868 0.025 0.000 0.977 517 T HN 0.490 nan 8.240 nan 0.000 0.527 518 K N 2.083 122.499 120.400 0.028 0.000 2.138 518 K HA 0.311 4.631 4.320 -0.000 0.000 0.251 518 K C -2.598 174.019 176.600 0.028 0.000 1.015 518 K CA -1.722 54.584 56.287 0.033 0.000 0.917 518 K CB 0.228 32.746 32.500 0.030 0.000 1.021 518 K HN 0.043 nan 8.250 nan 0.000 0.485 519 P HA -0.013 nan 4.420 nan 0.000 0.269 519 P C -1.043 176.262 177.300 0.007 0.000 1.209 519 P CA 0.006 63.119 63.100 0.022 0.000 0.776 519 P CB 0.407 32.126 31.700 0.032 0.000 0.876 520 D N 1.924 122.321 120.400 -0.005 0.000 2.389 520 D HA 0.192 4.832 4.640 -0.000 0.000 0.247 520 D C -0.040 176.245 176.300 -0.025 0.000 1.128 520 D CA 0.564 54.554 54.000 -0.016 0.000 0.884 520 D CB 0.363 41.150 40.800 -0.021 0.000 1.194 520 D HN 0.172 nan 8.370 nan 0.000 0.441 521 M N 2.049 121.630 119.600 -0.031 0.000 2.253 521 M HA 0.219 4.699 4.480 -0.000 0.000 0.314 521 M C -0.614 175.653 176.300 -0.055 0.000 1.019 521 M CA -0.501 54.774 55.300 -0.041 0.000 0.932 521 M CB 1.640 34.219 32.600 -0.034 0.000 1.606 521 M HN 0.297 nan 8.290 nan 0.000 0.430 522 T N 1.567 116.083 114.554 -0.064 0.000 2.944 522 T HA 0.437 4.787 4.350 -0.000 0.000 0.284 522 T C 1.039 175.689 174.700 -0.083 0.000 1.010 522 T CA -0.972 61.084 62.100 -0.074 0.000 1.025 522 T CB 0.976 69.802 68.868 -0.071 0.000 1.079 522 T HN 0.803 nan 8.240 nan 0.000 0.516 523 L N 0.616 121.782 121.223 -0.096 0.000 2.017 523 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 523 L C 2.953 179.757 176.870 -0.110 0.000 1.073 523 L CA 1.700 56.481 54.840 -0.098 0.000 0.745 523 L CB -0.413 41.572 42.059 -0.122 0.000 0.894 523 L HN 0.900 nan 8.230 nan 0.000 0.432 524 K N -0.052 120.284 120.400 -0.106 0.000 2.032 524 K HA -0.301 4.019 4.320 -0.000 0.000 0.209 524 K C 1.969 178.508 176.600 -0.103 0.000 1.048 524 K CA 2.059 58.283 56.287 -0.106 0.000 0.927 524 K CB -0.051 32.410 32.500 -0.066 0.000 0.712 524 K HN 0.157 nan 8.250 nan 0.000 0.441 525 E N 0.539 120.686 120.200 -0.088 0.000 2.051 525 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 525 E C 1.727 178.264 176.600 -0.104 0.000 0.991 525 E CA 1.722 58.068 56.400 -0.090 0.000 0.799 525 E CB -0.384 29.262 29.700 -0.089 0.000 0.748 525 E HN 0.406 nan 8.360 nan 0.000 0.449 526 A N 0.631 123.392 122.820 -0.099 0.000 1.892 526 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 526 A C 2.364 179.905 177.584 -0.071 0.000 1.188 526 A CA 1.865 53.848 52.037 -0.089 0.000 0.631 526 A CB -0.975 17.991 19.000 -0.056 0.000 0.822 526 A HN 0.359 nan 8.150 nan 0.000 0.447 527 L N -0.963 120.191 121.223 -0.115 0.000 2.046 527 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 527 L C 2.649 179.546 176.870 0.045 0.000 1.077 527 L CA 1.856 56.590 54.840 -0.177 0.000 0.747 527 L CB -0.531 41.094 42.059 -0.723 0.000 0.896 527 L HN 0.386 nan 8.230 nan 0.000 0.432 528 K N 0.521 120.929 120.400 0.014 0.000 1.985 528 K HA -0.186 4.134 4.320 -0.000 0.000 0.210 528 K C 2.077 178.698 176.600 0.034 0.000 1.047 528 K CA 2.022 58.359 56.287 0.083 0.000 0.932 528 K CB -0.333 32.178 32.500 0.018 0.000 0.716 528 K HN 0.414 nan 8.250 nan 0.000 0.439 529 I N -2.388 118.134 120.570 -0.078 0.000 2.546 529 I HA -0.042 4.128 4.170 -0.000 0.000 0.255 529 I C 2.136 178.161 176.117 -0.154 0.000 1.163 529 I CA 1.201 62.401 61.300 -0.167 0.000 1.457 529 I CB -0.203 37.547 38.000 -0.417 0.000 1.092 529 I HN -0.050 nan 8.210 nan 0.000 0.434 530 A N 1.066 123.790 122.820 -0.162 0.000 1.887 530 A HA 0.212 4.532 4.320 -0.000 0.000 0.210 530 A C 1.572 178.894 177.584 -0.437 0.000 1.221 530 A CA 0.715 52.544 52.037 -0.347 0.000 0.635 530 A CB -0.685 18.033 19.000 -0.469 0.000 0.881 530 A HN 0.454 nan 8.150 nan 0.000 0.456 531 F N -0.528 119.448 119.950 0.044 0.000 2.653 531 F HA 0.403 4.930 4.527 -0.000 0.000 0.304 531 F C 1.599 177.523 175.800 0.206 0.000 1.092 531 F CA 0.322 58.379 58.000 0.095 0.000 1.279 531 F CB 0.474 39.451 39.000 -0.038 0.000 1.044 531 F HN 0.343 nan 8.300 nan 0.000 0.564 532 G N 0.623 109.602 108.800 0.298 0.000 2.176 532 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.252 532 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.252 532 G C 0.304 175.358 174.900 0.256 0.000 1.024 532 G CA -0.360 44.878 45.100 0.230 0.000 0.755 532 G HN 0.254 nan 8.290 nan 0.000 0.507 533 F N 1.032 121.075 119.950 0.156 0.000 2.527 533 F HA 0.418 4.945 4.527 -0.000 0.000 0.316 533 F C 1.197 177.042 175.800 0.074 0.000 1.258 533 F CA 1.019 59.100 58.000 0.135 0.000 1.314 533 F CB 0.528 39.555 39.000 0.044 0.000 1.200 533 F HN 0.515 nan 8.300 nan 0.000 0.577 534 N N -0.547 118.311 118.700 0.264 0.000 2.935 534 N HA 0.136 4.876 4.740 -0.000 0.000 0.248 534 N C -2.228 173.368 175.510 0.143 0.000 1.276 534 N CA -1.049 52.092 53.050 0.151 0.000 0.906 534 N CB 1.320 39.857 38.487 0.082 0.000 1.564 534 N HN 0.620 nan 8.380 nan 0.000 0.500 535 E N 0.189 120.451 120.200 0.103 0.000 2.256 535 E HA 0.401 4.751 4.350 -0.000 0.000 0.243 535 E C -2.157 174.482 176.600 0.065 0.000 0.925 535 E CA -1.637 54.817 56.400 0.091 0.000 0.748 535 E CB 1.484 31.233 29.700 0.082 0.000 1.206 535 E HN 0.290 nan 8.360 nan 0.000 0.428 536 P HA -0.118 nan 4.420 nan 0.000 0.215 536 P C 0.312 177.637 177.300 0.041 0.000 1.157 536 P CA 0.953 64.080 63.100 0.044 0.000 0.863 536 P CB 0.239 31.963 31.700 0.039 0.000 0.787 537 N N -1.940 116.787 118.700 0.045 0.000 2.642 537 N HA 0.319 5.059 4.740 -0.000 0.000 0.308 537 N C 0.637 176.173 175.510 0.044 0.000 1.914 537 N CA 0.361 53.435 53.050 0.040 0.000 0.893 537 N CB -0.159 38.348 38.487 0.034 0.000 1.322 537 N HN 0.099 nan 8.380 nan 0.000 0.490 538 G N 0.477 109.305 108.800 0.048 0.000 2.284 538 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.247 538 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.247 538 G C -0.079 174.860 174.900 0.065 0.000 1.012 538 G CA -0.123 45.007 45.100 0.049 0.000 0.618 538 G HN 0.470 nan 8.290 nan 0.000 0.521 539 N N 0.994 119.738 118.700 0.074 0.000 2.420 539 N HA 0.487 5.227 4.740 -0.000 0.000 0.249 539 N C 0.178 175.766 175.510 0.129 0.000 1.033 539 N CA -0.317 52.792 53.050 0.098 0.000 0.944 539 N CB 1.277 39.819 38.487 0.092 0.000 1.113 539 N HN 0.442 nan 8.380 nan 0.000 0.502 540 L N 2.804 124.120 121.223 0.154 0.000 2.462 540 L HA 0.067 4.407 4.340 -0.000 0.000 0.272 540 L C 0.228 177.281 176.870 0.306 0.000 1.166 540 L CA 0.269 55.236 54.840 0.211 0.000 0.880 540 L CB 0.075 42.243 42.059 0.181 0.000 1.142 540 L HN 0.657 nan 8.230 nan 0.000 0.473 541 Q N 4.201 124.216 119.800 0.358 0.000 2.575 541 Q HA 0.230 4.570 4.340 -0.000 0.000 0.290 541 Q C -1.849 174.273 176.000 0.203 0.000 0.963 541 Q CA -0.971 55.044 55.803 0.354 0.000 0.783 541 Q CB 1.591 30.456 28.738 0.212 0.000 1.467 541 Q HN 0.520 nan 8.270 nan 0.000 0.402 542 Y N 1.882 122.100 120.300 -0.137 0.000 2.721 542 Y HA 0.266 4.816 4.550 -0.000 0.000 0.328 542 Y C -0.809 175.016 175.900 -0.124 0.000 1.003 542 Y CA -0.106 57.685 58.100 -0.515 0.000 1.275 542 Y CB 0.572 38.414 38.460 -1.029 0.000 1.097 542 Y HN 0.859 nan 8.280 nan 0.000 0.514 543 Q N 4.423 123.980 119.800 -0.404 0.000 2.457 543 Q HA -0.240 4.100 4.340 -0.000 0.000 0.333 543 Q C 1.114 177.056 176.000 -0.098 0.000 1.448 543 Q CA 1.028 56.653 55.803 -0.297 0.000 0.891 543 Q CB -1.445 27.010 28.738 -0.470 0.000 1.142 543 Q HN 1.281 nan 8.270 nan 0.000 0.375 544 G N -0.360 108.425 108.800 -0.024 0.000 2.304 544 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.252 544 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.252 544 G C 0.213 175.161 174.900 0.080 0.000 1.014 544 G CA 0.582 45.697 45.100 0.026 0.000 0.619 544 G HN 0.327 nan 8.290 nan 0.000 0.525 545 K N 1.859 122.340 120.400 0.136 0.000 2.316 545 K HA 0.506 4.826 4.320 -0.000 0.000 0.289 545 K C -0.007 176.792 176.600 0.331 0.000 1.070 545 K CA -0.297 56.126 56.287 0.226 0.000 0.928 545 K CB 0.420 33.139 32.500 0.365 0.000 1.039 545 K HN 0.336 nan 8.250 nan 0.000 0.480 546 D N 2.870 123.412 120.400 0.237 0.000 2.382 546 D HA 0.035 4.675 4.640 -0.000 0.000 0.240 546 D C 1.274 177.833 176.300 0.431 0.000 1.146 546 D CA 0.048 54.214 54.000 0.276 0.000 0.897 546 D CB 0.662 41.555 40.800 0.155 0.000 1.197 546 D HN 0.545 nan 8.370 nan 0.000 0.432 547 I N 0.689 121.561 120.570 0.504 0.000 2.248 547 I HA -0.253 3.917 4.170 -0.000 0.000 0.248 547 I C 2.240 178.720 176.117 0.605 0.000 1.107 547 I CA 1.277 62.979 61.300 0.670 0.000 1.373 547 I CB -1.316 37.024 38.000 0.566 0.000 1.055 547 I HN 0.494 nan 8.210 nan 0.000 0.418 548 T N -1.261 113.466 114.554 0.288 0.000 2.996 548 T HA -0.114 4.236 4.350 -0.000 0.000 0.271 548 T C 1.395 176.063 174.700 -0.055 0.000 1.126 548 T CA 1.059 63.114 62.100 -0.074 0.000 1.103 548 T CB -0.435 68.334 68.868 -0.165 0.000 0.870 548 T HN 0.418 nan 8.240 nan 0.000 0.528 549 E N 0.261 120.447 120.200 -0.024 0.000 2.489 549 E HA 0.247 4.597 4.350 -0.000 0.000 0.193 549 E C -0.562 175.745 176.600 -0.489 0.000 1.057 549 E CA 0.042 56.258 56.400 -0.308 0.000 0.866 549 E CB 0.006 29.421 29.700 -0.474 0.000 0.916 549 E HN 0.615 nan 8.360 nan 0.000 0.500 550 F N 0.656 120.715 119.950 0.181 0.000 2.551 550 F HA 0.316 4.843 4.527 -0.000 0.000 0.316 550 F C 0.541 176.420 175.800 0.131 0.000 1.089 550 F CA -1.211 56.868 58.000 0.133 0.000 0.915 550 F CB 1.421 40.483 39.000 0.104 0.000 1.186 550 F HN -0.336 nan 8.300 nan 0.000 0.456 551 D N 1.198 121.724 120.400 0.210 0.000 2.294 551 D HA 0.351 4.991 4.640 -0.000 0.000 0.250 551 D C -0.967 175.251 176.300 -0.136 0.000 1.058 551 D CA 0.079 54.164 54.000 0.141 0.000 0.950 551 D CB 1.192 42.052 40.800 0.100 0.000 1.158 551 D HN 0.176 nan 8.370 nan 0.000 0.453 552 F N 0.880 120.790 119.950 -0.066 0.000 2.444 552 F HA 0.353 4.880 4.527 -0.000 0.000 0.342 552 F C 0.192 175.658 175.800 -0.556 0.000 1.121 552 F CA -0.742 57.096 58.000 -0.271 0.000 0.997 552 F CB 1.203 40.024 39.000 -0.299 0.000 1.130 552 F HN 0.014 nan 8.300 nan 0.000 0.454 553 N N 2.870 121.332 118.700 -0.396 0.000 2.295 553 N HA 0.610 5.350 4.740 -0.000 0.000 0.293 553 N C -1.644 173.723 175.510 -0.238 0.000 1.040 553 N CA -0.569 52.231 53.050 -0.417 0.000 0.840 553 N CB 1.794 40.183 38.487 -0.164 0.000 1.468 553 N HN 0.157 nan 8.380 nan 0.000 0.478 554 F N -0.072 119.917 119.950 0.065 0.000 2.561 554 F HA 0.392 4.919 4.527 -0.000 0.000 0.321 554 F C 0.568 176.396 175.800 0.047 0.000 1.065 554 F CA -1.572 56.461 58.000 0.055 0.000 0.934 554 F CB 0.779 39.803 39.000 0.040 0.000 1.215 554 F HN 0.427 nan 8.300 nan 0.000 0.471 555 D N -0.307 120.242 120.400 0.249 0.000 2.384 555 D HA 0.079 4.719 4.640 -0.000 0.000 0.244 555 D C 1.051 177.431 176.300 0.133 0.000 1.251 555 D CA -0.288 53.799 54.000 0.146 0.000 0.961 555 D CB 0.450 41.316 40.800 0.109 0.000 1.116 555 D HN 0.656 nan 8.370 nan 0.000 0.484 556 Q N -0.541 119.309 119.800 0.083 0.000 1.956 556 Q HA -0.329 4.011 4.340 -0.000 0.000 0.208 556 Q C 2.061 178.097 176.000 0.060 0.000 0.998 556 Q CA 1.997 57.840 55.803 0.067 0.000 0.855 556 Q CB -0.145 28.618 28.738 0.042 0.000 0.928 556 Q HN 0.637 nan 8.270 nan 0.000 0.418 557 Q N -0.669 119.155 119.800 0.039 0.000 2.045 557 Q HA -0.204 4.136 4.340 -0.000 0.000 0.206 557 Q C 2.228 178.227 176.000 -0.001 0.000 0.991 557 Q CA 1.990 57.803 55.803 0.017 0.000 0.851 557 Q CB -0.471 28.272 28.738 0.009 0.000 0.911 557 Q HN 0.468 nan 8.270 nan 0.000 0.418 558 T N -0.297 114.255 114.554 -0.003 0.000 2.759 558 T HA -0.193 4.157 4.350 -0.000 0.000 0.269 558 T C 2.035 176.658 174.700 -0.128 0.000 1.042 558 T CA 1.629 63.679 62.100 -0.084 0.000 1.140 558 T CB -0.237 68.577 68.868 -0.090 0.000 0.864 558 T HN 0.284 nan 8.240 nan 0.000 0.455 559 S N 0.005 115.742 115.700 0.061 0.000 2.353 559 S HA -0.187 4.282 4.470 -0.000 0.000 0.222 559 S C 2.195 176.838 174.600 0.072 0.000 1.035 559 S CA 2.110 60.429 58.200 0.199 0.000 1.025 559 S CB -0.661 62.706 63.200 0.280 0.000 0.902 559 S HN 0.617 nan 8.310 nan 0.000 0.440 560 Q N 2.138 121.962 119.800 0.040 0.000 2.077 560 Q HA -0.153 4.187 4.340 -0.000 0.000 0.206 560 Q C 2.055 178.043 176.000 -0.019 0.000 0.989 560 Q CA 2.270 58.082 55.803 0.015 0.000 0.853 560 Q CB -0.845 27.899 28.738 0.011 0.000 0.907 560 Q HN 0.630 nan 8.270 nan 0.000 0.418 561 N N -0.031 118.639 118.700 -0.050 0.000 2.036 561 N HA -0.174 4.566 4.740 -0.000 0.000 0.195 561 N C 1.621 177.070 175.510 -0.103 0.000 1.037 561 N CA 1.880 54.883 53.050 -0.078 0.000 0.855 561 N CB -0.277 38.149 38.487 -0.102 0.000 1.033 561 N HN 0.327 nan 8.380 nan 0.000 0.423 562 I N 1.478 121.953 120.570 -0.158 0.000 2.127 562 I HA -0.266 3.904 4.170 -0.000 0.000 0.241 562 I C 2.258 178.334 176.117 -0.069 0.000 1.075 562 I CA 1.271 62.468 61.300 -0.171 0.000 1.334 562 I CB -1.127 36.709 38.000 -0.273 0.000 1.040 562 I HN 0.248 nan 8.210 nan 0.000 0.405 563 K N 0.728 121.118 120.400 -0.016 0.000 2.044 563 K HA -0.231 4.089 4.320 -0.000 0.000 0.210 563 K C 1.816 178.407 176.600 -0.015 0.000 1.049 563 K CA 1.911 58.199 56.287 0.003 0.000 0.927 563 K CB -0.303 32.210 32.500 0.022 0.000 0.713 563 K HN 0.335 nan 8.250 nan 0.000 0.443 564 N N 1.023 119.709 118.700 -0.024 0.000 2.149 564 N HA -0.166 4.574 4.740 -0.000 0.000 0.188 564 N C 1.747 177.237 175.510 -0.033 0.000 1.019 564 N CA 1.232 54.267 53.050 -0.025 0.000 0.857 564 N CB -0.215 38.256 38.487 -0.027 0.000 0.997 564 N HN 0.321 nan 8.380 nan 0.000 0.426 565 Q N 0.312 120.082 119.800 -0.049 0.000 2.016 565 Q HA -0.021 4.319 4.340 -0.000 0.000 0.200 565 Q C 2.225 178.197 176.000 -0.047 0.000 0.978 565 Q CA 0.872 56.641 55.803 -0.056 0.000 0.833 565 Q CB -0.318 28.372 28.738 -0.081 0.000 0.895 565 Q HN 0.358 nan 8.270 nan 0.000 0.427 566 L N 0.510 121.705 121.223 -0.046 0.000 1.989 566 L HA -0.255 4.085 4.340 -0.000 0.000 0.211 566 L C 2.621 179.478 176.870 -0.021 0.000 1.071 566 L CA 1.209 56.028 54.840 -0.035 0.000 0.749 566 L CB -0.769 41.274 42.059 -0.027 0.000 0.890 566 L HN 0.234 nan 8.230 nan 0.000 0.431 567 A N -0.046 122.764 122.820 -0.016 0.000 1.859 567 A HA -0.315 4.005 4.320 -0.000 0.000 0.217 567 A C 2.216 179.792 177.584 -0.012 0.000 1.198 567 A CA 2.177 54.208 52.037 -0.010 0.000 0.629 567 A CB -0.732 18.264 19.000 -0.008 0.000 0.830 567 A HN 0.488 nan 8.150 nan 0.000 0.446 568 E N -0.694 119.496 120.200 -0.017 0.000 2.401 568 E HA -0.058 4.292 4.350 -0.000 0.000 0.199 568 E C 1.440 178.029 176.600 -0.018 0.000 1.023 568 E CA 0.500 56.890 56.400 -0.017 0.000 0.859 568 E CB -0.171 29.517 29.700 -0.021 0.000 0.780 568 E HN 0.631 nan 8.360 nan 0.000 0.523 569 L N 0.317 121.528 121.223 -0.021 0.000 2.592 569 L HA 0.088 4.428 4.340 -0.000 0.000 0.227 569 L C 0.392 177.254 176.870 -0.013 0.000 1.127 569 L CA -0.168 54.660 54.840 -0.020 0.000 0.884 569 L CB 0.107 42.148 42.059 -0.029 0.000 1.065 569 L HN 0.115 nan 8.230 nan 0.000 0.457 570 N N 0.601 119.295 118.700 -0.010 0.000 2.708 570 N HA -0.179 4.561 4.740 -0.000 0.000 0.249 570 N C -0.120 175.389 175.510 -0.003 0.000 1.097 570 N CA 0.965 54.013 53.050 -0.005 0.000 0.710 570 N CB -0.617 37.868 38.487 -0.003 0.000 1.032 570 N HN 0.400 nan 8.380 nan 0.000 0.551 571 A N -1.132 121.684 122.820 -0.006 0.000 2.355 571 A HA 0.727 5.047 4.320 -0.000 0.000 0.324 571 A C 1.215 178.800 177.584 0.002 0.000 1.117 571 A CA 0.294 52.330 52.037 -0.002 0.000 0.785 571 A CB 1.133 20.126 19.000 -0.010 0.000 1.254 571 A HN 0.266 nan 8.150 nan 0.000 0.453 572 T N -1.621 112.940 114.554 0.012 0.000 3.026 572 T HA 0.132 4.482 4.350 -0.000 0.000 0.245 572 T C 0.521 175.241 174.700 0.033 0.000 1.004 572 T CA 0.347 62.459 62.100 0.021 0.000 1.069 572 T CB -0.322 68.561 68.868 0.025 0.000 1.005 572 T HN 0.474 nan 8.240 nan 0.000 0.472 573 N N 1.407 120.135 118.700 0.046 0.000 2.414 573 N HA 0.319 5.059 4.740 -0.000 0.000 0.256 573 N C 0.644 176.183 175.510 0.048 0.000 1.029 573 N CA -0.602 52.501 53.050 0.089 0.000 0.948 573 N CB 0.823 39.379 38.487 0.116 0.000 1.102 573 N HN 0.351 nan 8.380 nan 0.000 0.496 574 I N 3.779 124.338 120.570 -0.018 0.000 2.439 574 I HA -0.198 3.972 4.170 -0.000 0.000 0.251 574 I C 0.649 176.633 176.117 -0.223 0.000 1.139 574 I CA 1.083 62.261 61.300 -0.202 0.000 1.438 574 I CB 0.045 37.798 38.000 -0.413 0.000 1.085 574 I HN 0.594 nan 8.210 nan 0.000 0.427 575 Y N 0.798 121.055 120.300 -0.071 0.000 2.483 575 Y HA -0.185 4.365 4.550 -0.000 0.000 0.291 575 Y C 2.399 178.298 175.900 -0.002 0.000 1.143 575 Y CA 1.438 59.532 58.100 -0.011 0.000 1.289 575 Y CB -0.592 37.910 38.460 0.069 0.000 0.983 575 Y HN 0.311 nan 8.280 nan 0.000 0.556 576 T N -4.289 110.336 114.554 0.118 0.000 3.186 576 T HA 0.262 4.612 4.350 -0.000 0.000 0.257 576 T C 0.549 175.260 174.700 0.019 0.000 1.029 576 T CA 0.287 62.430 62.100 0.071 0.000 0.916 576 T CB 0.188 69.095 68.868 0.066 0.000 1.041 576 T HN 0.085 nan 8.240 nan 0.000 0.562 577 V N 0.691 120.593 119.914 -0.020 0.000 3.590 577 V HA 0.362 4.482 4.120 -0.000 0.000 0.389 577 V C 1.034 177.077 176.094 -0.084 0.000 1.545 577 V CA -0.267 62.005 62.300 -0.046 0.000 1.448 577 V CB -0.182 31.611 31.823 -0.049 0.000 1.105 577 V HN 0.485 nan 8.190 nan 0.000 0.537 578 L N 0.755 121.923 121.223 -0.092 0.000 2.191 578 L HA -0.069 4.271 4.340 -0.000 0.000 0.212 578 L C 2.181 178.996 176.870 -0.091 0.000 1.103 578 L CA 2.035 56.801 54.840 -0.124 0.000 0.769 578 L CB -0.400 41.594 42.059 -0.108 0.000 0.908 578 L HN 0.598 nan 8.230 nan 0.000 0.438 579 D N -0.856 119.508 120.400 -0.060 0.000 2.349 579 D HA -0.119 4.521 4.640 -0.000 0.000 0.224 579 D C 1.510 177.778 176.300 -0.054 0.000 1.029 579 D CA 0.558 54.527 54.000 -0.052 0.000 0.879 579 D CB 0.022 40.803 40.800 -0.033 0.000 0.906 579 D HN 0.206 nan 8.370 nan 0.000 0.528 580 K N 0.102 120.466 120.400 -0.061 0.000 2.360 580 K HA 0.273 4.593 4.320 -0.000 0.000 0.196 580 K C 0.745 177.302 176.600 -0.072 0.000 1.049 580 K CA -0.279 55.974 56.287 -0.057 0.000 1.049 580 K CB 1.427 33.898 32.500 -0.047 0.000 0.881 580 K HN 0.249 nan 8.250 nan 0.000 0.542 581 I N 3.301 123.814 120.570 -0.094 0.000 2.337 581 I HA 0.037 4.207 4.170 -0.000 0.000 0.291 581 I C 0.240 176.293 176.117 -0.107 0.000 1.046 581 I CA -0.323 60.908 61.300 -0.115 0.000 1.324 581 I CB 0.568 38.473 38.000 -0.160 0.000 1.409 581 I HN -0.284 nan 8.210 nan 0.000 0.494 582 K N 7.296 127.639 120.400 -0.096 0.000 2.270 582 K HA 0.463 4.783 4.320 -0.000 0.000 0.276 582 K C -0.384 176.158 176.600 -0.097 0.000 1.023 582 K CA -0.429 55.808 56.287 -0.083 0.000 0.955 582 K CB 1.380 33.840 32.500 -0.066 0.000 0.975 582 K HN 0.516 nan 8.250 nan 0.000 0.471 583 L N 2.522 123.697 121.223 -0.081 0.000 2.343 583 L HA 0.344 4.684 4.340 -0.000 0.000 0.275 583 L C 0.051 176.884 176.870 -0.061 0.000 1.056 583 L CA -0.587 54.206 54.840 -0.080 0.000 0.804 583 L CB 1.080 43.102 42.059 -0.063 0.000 1.203 583 L HN 0.603 nan 8.230 nan 0.000 0.440 584 N N 0.414 119.077 118.700 -0.061 0.000 2.229 584 N HA 0.538 5.278 4.740 -0.000 0.000 0.298 584 N C -0.738 174.754 175.510 -0.030 0.000 1.114 584 N CA -0.712 52.312 53.050 -0.042 0.000 0.776 584 N CB 1.937 40.396 38.487 -0.047 0.000 1.501 584 N HN 0.712 nan 8.380 nan 0.000 0.474 585 A N 1.458 124.267 122.820 -0.018 0.000 2.587 585 A HA 0.052 4.372 4.320 -0.000 0.000 0.235 585 A C 0.482 178.060 177.584 -0.010 0.000 1.044 585 A CA 0.718 52.749 52.037 -0.009 0.000 0.754 585 A CB -0.244 18.754 19.000 -0.004 0.000 0.968 585 A HN 0.969 nan 8.150 nan 0.000 0.509 586 K N -0.156 120.242 120.400 -0.003 0.000 3.509 586 K HA -0.145 4.175 4.320 -0.000 0.000 0.302 586 K C -0.030 176.572 176.600 0.003 0.000 1.355 586 K CA 1.189 57.478 56.287 0.002 0.000 0.953 586 K CB -1.854 30.647 32.500 0.001 0.000 1.321 586 K HN 0.790 nan 8.250 nan 0.000 0.461 587 M N 1.467 121.061 119.600 -0.010 0.000 2.238 587 M HA 0.096 4.576 4.480 -0.000 0.000 0.347 587 M C -0.047 176.266 176.300 0.021 0.000 1.173 587 M CA 0.477 55.765 55.300 -0.020 0.000 1.147 587 M CB 0.419 32.980 32.600 -0.064 0.000 1.547 587 M HN 0.007 nan 8.290 nan 0.000 0.455 588 N N 4.380 123.110 118.700 0.050 0.000 2.491 588 N HA 0.521 5.261 4.740 -0.000 0.000 0.274 588 N C -1.344 174.273 175.510 0.178 0.000 1.023 588 N CA -0.207 52.908 53.050 0.109 0.000 0.902 588 N CB 1.349 39.920 38.487 0.141 0.000 1.267 588 N HN 0.531 nan 8.380 nan 0.000 0.503 589 I N 1.636 122.308 120.570 0.170 0.000 2.474 589 I HA 0.417 4.587 4.170 -0.000 0.000 0.294 589 I C -0.731 175.464 176.117 0.131 0.000 1.005 589 I CA -1.066 60.404 61.300 0.283 0.000 1.113 589 I CB 2.139 40.305 38.000 0.277 0.000 1.289 589 I HN 0.143 nan 8.210 nan 0.000 0.436 590 L N 7.797 129.078 121.223 0.098 0.000 2.356 590 L HA 0.621 4.961 4.340 -0.000 0.000 0.277 590 L C -1.100 175.677 176.870 -0.154 0.000 0.996 590 L CA -0.139 54.664 54.840 -0.061 0.000 0.822 590 L CB 1.396 43.427 42.059 -0.046 0.000 1.256 590 L HN 0.404 nan 8.230 nan 0.000 0.413 591 I N 5.539 125.983 120.570 -0.209 0.000 2.411 591 I HA 0.517 4.687 4.170 -0.000 0.000 0.284 591 I C -0.297 175.738 176.117 -0.137 0.000 1.012 591 I CA -0.545 60.594 61.300 -0.268 0.000 1.119 591 I CB 1.234 39.018 38.000 -0.361 0.000 1.261 591 I HN 0.581 nan 8.210 nan 0.000 0.448 592 R N 2.860 123.320 120.500 -0.067 0.000 2.892 592 R HA 0.402 4.742 4.340 -0.000 0.000 0.265 592 R C -0.986 175.544 176.300 0.383 0.000 1.025 592 R CA -1.108 54.998 56.100 0.010 0.000 0.982 592 R CB 1.708 31.750 30.300 -0.430 0.000 1.185 592 R HN 0.400 nan 8.270 nan 0.000 0.484 593 D N 1.388 122.083 120.400 0.491 0.000 2.383 593 D HA 0.020 4.660 4.640 -0.000 0.000 0.252 593 D C 0.406 176.880 176.300 0.290 0.000 1.166 593 D CA 0.297 54.500 54.000 0.338 0.000 0.879 593 D CB 1.087 42.159 40.800 0.453 0.000 1.164 593 D HN 0.369 nan 8.370 nan 0.000 0.462 594 K N 2.843 123.267 120.400 0.041 0.000 2.103 594 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 594 K C 1.843 178.384 176.600 -0.098 0.000 1.048 594 K CA 0.826 57.130 56.287 0.028 0.000 0.930 594 K CB 0.152 32.627 32.500 -0.041 0.000 0.716 594 K HN 0.393 nan 8.250 nan 0.000 0.444 595 R N 0.019 120.296 120.500 -0.372 0.000 2.276 595 R HA -0.119 4.221 4.340 -0.000 0.000 0.243 595 R C 0.154 175.924 176.300 -0.884 0.000 1.161 595 R CA 0.955 56.597 56.100 -0.764 0.000 1.007 595 R CB -0.215 29.370 30.300 -1.191 0.000 0.867 595 R HN 0.066 nan 8.270 nan 0.000 0.472 596 F N -1.697 118.209 119.950 -0.074 0.000 2.598 596 F HA 0.367 4.894 4.527 -0.000 0.000 0.327 596 F C 0.504 176.182 175.800 -0.203 0.000 1.057 596 F CA -1.146 56.710 58.000 -0.240 0.000 0.957 596 F CB 0.929 39.670 39.000 -0.432 0.000 1.278 596 F HN -0.177 nan 8.300 nan 0.000 0.484 597 H N -0.213 118.737 119.070 -0.199 0.000 2.467 597 H HA 0.421 4.977 4.556 -0.000 0.000 0.331 597 H C -1.376 173.733 175.328 -0.365 0.000 1.120 597 H CA -0.713 55.229 56.048 -0.177 0.000 1.270 597 H CB 1.331 31.053 29.762 -0.066 0.000 1.466 597 H HN 0.493 nan 8.280 nan 0.000 0.504 598 Y N 0.868 121.261 120.300 0.155 0.000 2.549 598 Y HA 0.096 4.646 4.550 -0.000 0.000 0.339 598 Y C 0.475 176.403 175.900 0.046 0.000 1.053 598 Y CA -0.977 57.172 58.100 0.083 0.000 1.105 598 Y CB 1.156 39.653 38.460 0.062 0.000 1.258 598 Y HN 0.721 nan 8.280 nan 0.000 0.478 599 D N -0.100 120.412 120.400 0.185 0.000 2.475 599 D HA 0.221 4.861 4.640 -0.000 0.000 0.286 599 D C 0.706 177.053 176.300 0.078 0.000 1.205 599 D CA -0.330 53.726 54.000 0.094 0.000 1.092 599 D CB 0.363 41.195 40.800 0.053 0.000 1.147 599 D HN 0.481 nan 8.370 nan 0.000 0.575 600 R N -1.056 119.466 120.500 0.037 0.000 2.193 600 R HA 0.082 4.422 4.340 -0.000 0.000 0.213 600 R C 0.892 177.195 176.300 0.006 0.000 1.055 600 R CA 0.547 56.656 56.100 0.014 0.000 0.995 600 R CB -0.224 30.074 30.300 -0.004 0.000 0.893 600 R HN 0.410 nan 8.270 nan 0.000 0.459 601 N N 1.036 119.748 118.700 0.020 0.000 2.322 601 N HA 0.004 4.744 4.740 -0.000 0.000 0.194 601 N C -0.422 175.118 175.510 0.050 0.000 1.126 601 N CA 0.132 53.192 53.050 0.017 0.000 0.845 601 N CB 0.161 38.654 38.487 0.011 0.000 0.976 601 N HN 0.131 nan 8.380 nan 0.000 0.475 602 N N 0.631 119.374 118.700 0.072 0.000 2.758 602 N HA -0.172 4.568 4.740 -0.000 0.000 0.248 602 N C -0.851 174.751 175.510 0.153 0.000 1.076 602 N CA 0.621 53.714 53.050 0.072 0.000 0.696 602 N CB -1.463 37.029 38.487 0.008 0.000 0.979 602 N HN 0.392 nan 8.380 nan 0.000 0.550 603 I N 0.225 120.922 120.570 0.211 0.000 2.441 603 I HA 0.427 4.597 4.170 -0.000 0.000 0.295 603 I C 0.895 177.122 176.117 0.182 0.000 0.994 603 I CA -0.931 60.472 61.300 0.172 0.000 1.144 603 I CB 1.755 39.790 38.000 0.057 0.000 1.314 603 I HN 0.114 nan 8.210 nan 0.000 0.445 604 A N 5.873 128.728 122.820 0.059 0.000 2.500 604 A HA 0.326 4.646 4.320 -0.000 0.000 0.285 604 A C 0.608 178.079 177.584 -0.189 0.000 1.183 604 A CA -0.035 51.847 52.037 -0.258 0.000 0.851 604 A CB -0.433 18.294 19.000 -0.456 0.000 1.091 604 A HN 0.761 nan 8.150 nan 0.000 0.521 605 V N 0.586 120.411 119.914 -0.148 0.000 3.017 605 V HA 0.704 4.824 4.120 -0.000 0.000 0.354 605 V C 0.355 176.407 176.094 -0.069 0.000 1.389 605 V CA 0.346 62.596 62.300 -0.083 0.000 1.163 605 V CB -0.526 31.276 31.823 -0.036 0.000 1.178 605 V HN 1.573 nan 8.190 nan 0.000 0.547 606 G N -0.948 107.796 108.800 -0.093 0.000 2.342 606 G HA2 0.874 4.834 3.960 -0.000 0.000 0.297 606 G HA3 0.874 4.834 3.960 -0.000 0.000 0.297 606 G C -1.123 173.641 174.900 -0.226 0.000 1.313 606 G CA 0.287 45.309 45.100 -0.130 0.000 0.830 606 G HN 1.604 nan 8.290 nan 0.000 0.506 607 A N -0.758 121.710 122.820 -0.587 0.000 2.522 607 A HA 0.618 4.938 4.320 -0.000 0.000 0.294 607 A C -1.652 175.533 177.584 -0.665 0.000 1.001 607 A CA -0.598 51.061 52.037 -0.630 0.000 0.642 607 A CB 0.585 19.462 19.000 -0.205 0.000 1.326 607 A HN 0.668 nan 8.150 nan 0.000 0.435 608 D N 0.972 121.153 120.400 -0.366 0.000 2.382 608 D HA 0.170 4.810 4.640 -0.000 0.000 0.245 608 D C 0.845 177.089 176.300 -0.092 0.000 1.120 608 D CA 0.076 53.998 54.000 -0.129 0.000 0.890 608 D CB 1.127 41.927 40.800 0.001 0.000 1.201 608 D HN 0.617 nan 8.370 nan 0.000 0.433 609 E N 0.982 121.155 120.200 -0.045 0.000 2.114 609 E HA -0.208 4.142 4.350 -0.000 0.000 0.199 609 E C 1.859 178.457 176.600 -0.002 0.000 1.008 609 E CA 1.313 57.703 56.400 -0.017 0.000 0.810 609 E CB -0.001 29.701 29.700 0.003 0.000 0.739 609 E HN 0.310 nan 8.360 nan 0.000 0.456 610 S N 0.856 116.551 115.700 -0.010 0.000 2.353 610 S HA -0.182 4.288 4.470 -0.000 0.000 0.222 610 S C 2.475 177.069 174.600 -0.009 0.000 1.035 610 S CA 1.552 59.749 58.200 -0.005 0.000 1.025 610 S CB -0.626 62.566 63.200 -0.014 0.000 0.902 610 S HN 0.384 nan 8.310 nan 0.000 0.440 611 V N 0.853 120.742 119.914 -0.042 0.000 2.407 611 V HA -0.110 4.010 4.120 -0.000 0.000 0.248 611 V C 2.045 178.133 176.094 -0.010 0.000 1.055 611 V CA 1.620 63.883 62.300 -0.062 0.000 1.049 611 V CB -1.275 30.458 31.823 -0.150 0.000 0.662 611 V HN 0.351 nan 8.190 nan 0.000 0.455 612 V N 0.735 120.666 119.914 0.029 0.000 2.343 612 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 612 V C 2.791 179.035 176.094 0.250 0.000 1.051 612 V CA 2.657 65.043 62.300 0.142 0.000 1.036 612 V CB -1.064 30.844 31.823 0.142 0.000 0.654 612 V HN 0.556 nan 8.190 nan 0.000 0.451 613 K N 0.121 120.617 120.400 0.160 0.000 2.032 613 K HA -0.210 4.110 4.320 -0.000 0.000 0.209 613 K C 2.186 178.866 176.600 0.134 0.000 1.048 613 K CA 1.849 58.233 56.287 0.160 0.000 0.927 613 K CB -0.300 32.251 32.500 0.085 0.000 0.712 613 K HN 0.542 nan 8.250 nan 0.000 0.441 614 E N 0.627 120.868 120.200 0.069 0.000 2.097 614 E HA -0.239 4.111 4.350 -0.000 0.000 0.196 614 E C 2.110 178.727 176.600 0.028 0.000 1.000 614 E CA 1.192 57.614 56.400 0.036 0.000 0.804 614 E CB -0.194 29.509 29.700 0.004 0.000 0.740 614 E HN 0.375 nan 8.360 nan 0.000 0.454 615 A N 0.832 123.659 122.820 0.012 0.000 1.908 615 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 615 A C 1.584 179.092 177.584 -0.127 0.000 1.181 615 A CA 1.781 53.771 52.037 -0.077 0.000 0.627 615 A CB -0.677 18.241 19.000 -0.137 0.000 0.818 615 A HN 0.279 nan 8.150 nan 0.000 0.445 616 H N -1.909 117.204 119.070 0.071 0.000 2.551 616 H HA 0.154 4.710 4.556 -0.000 0.000 0.266 616 H C 1.996 177.367 175.328 0.072 0.000 0.964 616 H CA 0.662 56.760 56.048 0.083 0.000 1.180 616 H CB 0.073 29.907 29.762 0.120 0.000 1.408 616 H HN 0.499 nan 8.280 nan 0.000 0.563 617 R N 1.540 122.128 120.500 0.147 0.000 2.096 617 R HA -0.147 4.193 4.340 -0.000 0.000 0.240 617 R C 0.703 177.046 176.300 0.072 0.000 1.139 617 R CA 1.253 57.409 56.100 0.092 0.000 0.952 617 R CB -0.042 30.291 30.300 0.055 0.000 0.854 617 R HN 0.320 nan 8.270 nan 0.000 0.436 618 E N 1.296 121.528 120.200 0.054 0.000 1.795 618 E HA 0.050 4.400 4.350 -0.000 0.000 0.261 618 E C -1.073 175.560 176.600 0.056 0.000 1.238 618 E CA -0.388 56.037 56.400 0.041 0.000 1.001 618 E CB 0.394 30.107 29.700 0.021 0.000 1.065 618 E HN 0.067 nan 8.360 nan 0.000 0.418 619 V N 5.497 125.455 119.914 0.073 0.000 2.834 619 V HA 0.047 4.167 4.120 -0.000 0.000 0.301 619 V C 1.172 177.303 176.094 0.061 0.000 1.066 619 V CA -0.447 61.906 62.300 0.089 0.000 1.052 619 V CB 1.454 33.359 31.823 0.138 0.000 1.021 619 V HN 0.703 nan 8.190 nan 0.000 0.480 620 I N 1.572 122.175 120.570 0.055 0.000 3.883 620 I HA 0.271 4.441 4.170 -0.000 0.000 0.305 620 I C 0.436 176.577 176.117 0.040 0.000 1.247 620 I CA 0.737 62.061 61.300 0.039 0.000 1.350 620 I CB -0.066 37.951 38.000 0.028 0.000 1.194 620 I HN 0.775 nan 8.210 nan 0.000 0.441 621 N N 0.760 119.491 118.700 0.052 0.000 2.864 621 N HA 0.096 4.836 4.740 -0.000 0.000 0.247 621 N C -1.217 174.326 175.510 0.054 0.000 1.071 621 N CA -0.103 52.977 53.050 0.050 0.000 1.056 621 N CB 1.386 39.891 38.487 0.029 0.000 1.661 621 N HN -0.030 nan 8.380 nan 0.000 0.570 622 S N 1.237 116.983 115.700 0.077 0.000 2.498 622 S HA 0.864 5.334 4.470 -0.000 0.000 0.317 622 S C -0.390 174.251 174.600 0.068 0.000 1.090 622 S CA -0.411 57.833 58.200 0.073 0.000 1.089 622 S CB 1.299 64.643 63.200 0.240 0.000 0.997 622 S HN 0.419 nan 8.310 nan 0.000 0.470 623 S N 1.654 117.371 115.700 0.028 0.000 3.565 623 S HA 0.621 5.091 4.470 -0.000 0.000 0.242 623 S C 0.912 175.581 174.600 0.114 0.000 1.023 623 S CA -0.142 58.095 58.200 0.061 0.000 1.300 623 S CB 0.461 63.690 63.200 0.048 0.000 1.198 623 S HN 0.945 nan 8.310 nan 0.000 0.697 624 T N -1.233 113.405 114.554 0.140 0.000 3.043 624 T HA 0.364 4.714 4.350 -0.000 0.000 0.272 624 T C 0.320 175.199 174.700 0.298 0.000 0.990 624 T CA -0.187 62.065 62.100 0.253 0.000 0.897 624 T CB -0.067 68.900 68.868 0.165 0.000 1.111 624 T HN 0.390 nan 8.240 nan 0.000 0.529 625 E N 0.997 121.279 120.200 0.138 0.000 2.474 625 E HA 0.482 4.832 4.350 -0.000 0.000 0.195 625 E C 1.089 177.612 176.600 -0.128 0.000 1.039 625 E CA -0.045 56.421 56.400 0.109 0.000 0.881 625 E CB 0.590 30.364 29.700 0.123 0.000 0.970 625 E HN 0.705 nan 8.360 nan 0.000 0.486 626 G N 0.634 109.024 108.800 -0.683 0.000 2.302 626 G HA2 0.080 4.040 3.960 -0.000 0.000 0.264 626 G HA3 0.080 4.040 3.960 -0.000 0.000 0.264 626 G C -1.909 172.270 174.900 -1.201 0.000 1.335 626 G CA -1.000 43.041 45.100 -1.766 0.000 0.982 626 G HN 0.029 nan 8.290 nan 0.000 0.473 627 L N -0.038 120.549 121.223 -1.060 0.000 2.388 627 L HA 0.882 5.222 4.340 -0.000 0.000 0.264 627 L C -1.040 175.696 176.870 -0.225 0.000 0.998 627 L CA -0.994 53.533 54.840 -0.521 0.000 0.817 627 L CB 2.159 43.893 42.059 -0.542 0.000 1.338 627 L HN 0.668 nan 8.230 nan 0.000 0.414 628 L N 5.390 126.617 121.223 0.007 0.000 2.409 628 L HA 0.714 5.054 4.340 -0.000 0.000 0.272 628 L C -1.397 175.502 176.870 0.049 0.000 0.980 628 L CA -0.436 54.475 54.840 0.119 0.000 0.826 628 L CB 1.716 43.887 42.059 0.186 0.000 1.268 628 L HN 0.576 nan 8.230 nan 0.000 0.407 629 L N 1.295 122.541 121.223 0.038 0.000 2.775 629 L HA 0.647 4.987 4.340 -0.000 0.000 0.263 629 L C -1.707 175.175 176.870 0.019 0.000 1.017 629 L CA -0.978 53.881 54.840 0.031 0.000 0.891 629 L CB 2.017 44.102 42.059 0.043 0.000 1.482 629 L HN 0.443 nan 8.230 nan 0.000 0.410 630 N N 1.440 120.146 118.700 0.010 0.000 2.425 630 N HA 0.670 5.410 4.740 -0.000 0.000 0.268 630 N C -1.442 174.055 175.510 -0.022 0.000 0.991 630 N CA -0.311 52.739 53.050 -0.000 0.000 0.931 630 N CB 1.345 39.833 38.487 0.002 0.000 1.130 630 N HN 0.785 nan 8.380 nan 0.000 0.493 631 I N 1.516 122.066 120.570 -0.033 0.000 2.647 631 I HA 0.312 4.482 4.170 -0.000 0.000 0.295 631 I C -0.672 175.424 176.117 -0.035 0.000 1.078 631 I CA -0.927 60.329 61.300 -0.073 0.000 1.048 631 I CB 1.607 39.508 38.000 -0.164 0.000 1.239 631 I HN 0.451 nan 8.210 nan 0.000 0.421 632 D N 5.010 125.393 120.400 -0.029 0.000 2.506 632 D HA -0.054 4.586 4.640 -0.000 0.000 0.234 632 D C 1.071 177.382 176.300 0.019 0.000 1.143 632 D CA 0.406 54.411 54.000 0.008 0.000 0.871 632 D CB 1.120 41.937 40.800 0.029 0.000 1.190 632 D HN 0.606 nan 8.370 nan 0.000 0.459 633 K N 1.818 122.233 120.400 0.025 0.000 2.217 633 K HA -0.106 4.214 4.320 -0.000 0.000 0.202 633 K C 0.593 177.201 176.600 0.012 0.000 1.051 633 K CA 0.899 57.198 56.287 0.020 0.000 0.952 633 K CB 0.145 32.656 32.500 0.018 0.000 0.736 633 K HN 0.244 nan 8.250 nan 0.000 0.453 634 D N 0.863 121.283 120.400 0.034 0.000 2.371 634 D HA -0.009 4.631 4.640 -0.000 0.000 0.221 634 D C 1.584 177.894 176.300 0.017 0.000 0.986 634 D CA 0.526 54.528 54.000 0.004 0.000 0.899 634 D CB 0.197 41.068 40.800 0.119 0.000 0.902 634 D HN 0.268 nan 8.370 nan 0.000 0.530 635 I N 0.107 120.727 120.570 0.084 0.000 2.731 635 I HA -0.009 4.161 4.170 -0.000 0.000 0.260 635 I C 1.946 178.090 176.117 0.045 0.000 1.138 635 I CA 0.416 61.783 61.300 0.112 0.000 1.461 635 I CB -0.421 37.629 38.000 0.083 0.000 1.128 635 I HN -0.063 nan 8.210 nan 0.000 0.438 636 R N 0.948 121.467 120.500 0.031 0.000 2.341 636 R HA -0.100 4.240 4.340 -0.000 0.000 0.213 636 R C 1.885 178.181 176.300 -0.008 0.000 1.082 636 R CA 0.566 56.686 56.100 0.033 0.000 1.017 636 R CB -0.094 30.233 30.300 0.045 0.000 0.860 636 R HN 0.366 nan 8.270 nan 0.000 0.473 637 K N 0.988 121.357 120.400 -0.052 0.000 2.186 637 K HA 0.015 4.335 4.320 -0.000 0.000 0.202 637 K C 1.827 178.365 176.600 -0.103 0.000 1.052 637 K CA 0.814 57.046 56.287 -0.092 0.000 0.965 637 K CB 0.258 32.660 32.500 -0.163 0.000 0.746 637 K HN 0.295 nan 8.250 nan 0.000 0.457 638 I N -1.285 119.223 120.570 -0.104 0.000 3.904 638 I HA 0.218 4.388 4.170 -0.000 0.000 0.333 638 I C -0.356 175.723 176.117 -0.064 0.000 1.361 638 I CA -0.166 61.080 61.300 -0.091 0.000 1.116 638 I CB 0.146 38.097 38.000 -0.080 0.000 1.028 638 I HN -0.177 nan 8.210 nan 0.000 0.398 639 L N 1.415 122.601 121.223 -0.061 0.000 2.333 639 L HA 0.397 4.737 4.340 -0.000 0.000 0.280 639 L C 1.227 178.037 176.870 -0.100 0.000 1.004 639 L CA -0.452 54.325 54.840 -0.106 0.000 0.820 639 L CB 2.147 44.125 42.059 -0.136 0.000 1.247 639 L HN 0.197 nan 8.230 nan 0.000 0.416 640 S N 0.725 116.362 115.700 -0.104 0.000 2.458 640 S HA 0.407 4.877 4.470 -0.000 0.000 0.223 640 S C 0.744 175.309 174.600 -0.058 0.000 1.019 640 S CA 0.333 58.513 58.200 -0.034 0.000 0.937 640 S CB 0.545 63.758 63.200 0.021 0.000 0.788 640 S HN 0.911 nan 8.310 nan 0.000 0.511 641 G N -0.583 108.094 108.800 -0.205 0.000 2.367 641 G HA2 0.447 4.407 3.960 -0.000 0.000 0.272 641 G HA3 0.447 4.407 3.960 -0.000 0.000 0.272 641 G C -2.129 172.476 174.900 -0.492 0.000 1.271 641 G CA -0.951 44.020 45.100 -0.216 0.000 0.893 641 G HN 0.217 nan 8.290 nan 0.000 0.485 642 Y N -0.535 119.797 120.300 0.054 0.000 2.581 642 Y HA 0.739 5.289 4.550 -0.000 0.000 0.345 642 Y C 0.368 176.310 175.900 0.070 0.000 1.036 642 Y CA -1.043 57.093 58.100 0.060 0.000 1.042 642 Y CB 2.351 40.850 38.460 0.065 0.000 1.289 642 Y HN 0.662 nan 8.280 nan 0.000 0.471 643 I N 0.453 121.182 120.570 0.266 0.000 2.533 643 I HA 0.785 4.955 4.170 -0.000 0.000 0.290 643 I C -1.539 174.764 176.117 0.309 0.000 1.056 643 I CA -1.147 60.280 61.300 0.212 0.000 1.057 643 I CB 1.954 40.013 38.000 0.098 0.000 1.240 643 I HN 0.407 nan 8.210 nan 0.000 0.423 644 V N 5.957 125.956 119.914 0.141 0.000 2.487 644 V HA 0.588 4.708 4.120 -0.000 0.000 0.298 644 V C -0.484 175.579 176.094 -0.052 0.000 1.028 644 V CA 0.100 62.395 62.300 -0.008 0.000 0.860 644 V CB 1.841 33.522 31.823 -0.236 0.000 0.991 644 V HN 1.038 nan 8.190 nan 0.000 0.427 645 E N 6.658 126.818 120.200 -0.067 0.000 2.277 645 E HA 0.654 5.004 4.350 -0.000 0.000 0.266 645 E C -1.254 175.283 176.600 -0.105 0.000 0.901 645 E CA -1.107 55.258 56.400 -0.059 0.000 0.782 645 E CB 2.661 32.371 29.700 0.017 0.000 1.228 645 E HN 0.643 nan 8.360 nan 0.000 0.424 646 I N 1.663 122.183 120.570 -0.084 0.000 2.339 646 I HA 0.250 4.420 4.170 -0.000 0.000 0.290 646 I C -0.052 176.018 176.117 -0.078 0.000 0.994 646 I CA -0.644 60.618 61.300 -0.063 0.000 1.191 646 I CB 1.398 39.374 38.000 -0.040 0.000 1.343 646 I HN 0.623 nan 8.210 nan 0.000 0.458 647 E N 5.273 125.434 120.200 -0.066 0.000 2.191 647 E HA 0.201 4.551 4.350 -0.000 0.000 0.278 647 E C -0.803 175.655 176.600 -0.237 0.000 0.972 647 E CA -0.679 55.650 56.400 -0.119 0.000 0.804 647 E CB 1.388 31.045 29.700 -0.071 0.000 1.110 647 E HN 0.455 nan 8.360 nan 0.000 0.394 648 D N 1.582 121.713 120.400 -0.448 0.000 2.325 648 D HA 0.062 4.702 4.640 -0.000 0.000 0.262 648 D C 0.701 176.873 176.300 -0.213 0.000 1.263 648 D CA 0.175 53.687 54.000 -0.813 0.000 1.020 648 D CB 0.732 41.158 40.800 -0.624 0.000 1.117 648 D HN 0.422 nan 8.370 nan 0.000 0.545 649 T N -0.327 114.197 114.554 -0.050 0.000 3.107 649 T HA 0.066 4.416 4.350 -0.000 0.000 0.249 649 T C 0.940 175.649 174.700 0.016 0.000 1.096 649 T CA 0.329 62.482 62.100 0.088 0.000 1.012 649 T CB 0.226 69.201 68.868 0.179 0.000 0.977 649 T HN 0.315 nan 8.240 nan 0.000 0.527 650 E N 0.211 120.389 120.200 -0.037 0.000 2.514 650 E HA 0.351 4.701 4.350 -0.000 0.000 0.215 650 E C 1.284 177.857 176.600 -0.045 0.000 0.946 650 E CA 0.074 56.455 56.400 -0.031 0.000 1.038 650 E CB 1.021 30.703 29.700 -0.030 0.000 1.069 650 E HN 0.407 nan 8.360 nan 0.000 0.503 651 G N 1.917 110.674 108.800 -0.072 0.000 2.173 651 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.142 651 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.142 651 G C -0.130 174.720 174.900 -0.083 0.000 1.019 651 G CA -0.417 44.645 45.100 -0.064 0.000 0.699 651 G HN 0.192 nan 8.290 nan 0.000 0.495 652 L N 1.708 122.852 121.223 -0.132 0.000 2.385 652 L HA 0.596 4.936 4.340 -0.000 0.000 0.281 652 L C 0.149 176.931 176.870 -0.146 0.000 1.106 652 L CA -0.302 54.456 54.840 -0.136 0.000 0.856 652 L CB 0.122 42.080 42.059 -0.169 0.000 1.186 652 L HN 0.094 nan 8.230 nan 0.000 0.453 653 K N 5.244 125.592 120.400 -0.087 0.000 2.206 653 K HA 0.369 4.689 4.320 -0.000 0.000 0.264 653 K C -0.883 175.687 176.600 -0.050 0.000 0.967 653 K CA -0.539 55.708 56.287 -0.067 0.000 0.844 653 K CB 1.893 34.378 32.500 -0.026 0.000 1.099 653 K HN 0.484 nan 8.250 nan 0.000 0.441 654 E N 3.475 123.645 120.200 -0.051 0.000 2.235 654 E HA 0.136 4.486 4.350 -0.000 0.000 0.252 654 E C -1.016 175.568 176.600 -0.025 0.000 0.886 654 E CA -0.646 55.733 56.400 -0.034 0.000 0.767 654 E CB 1.381 31.058 29.700 -0.038 0.000 1.205 654 E HN 0.259 nan 8.360 nan 0.000 0.421 655 V N 6.372 126.282 119.914 -0.006 0.000 2.540 655 V HA -0.036 4.084 4.120 -0.000 0.000 0.297 655 V C 1.378 177.463 176.094 -0.016 0.000 1.024 655 V CA 0.608 62.909 62.300 0.001 0.000 1.105 655 V CB 0.863 32.696 31.823 0.016 0.000 0.938 655 V HN 0.812 nan 8.190 nan 0.000 0.482 656 I N 4.895 125.447 120.570 -0.030 0.000 3.749 656 I HA 0.118 4.288 4.170 -0.000 0.000 0.314 656 I C 0.260 176.380 176.117 0.004 0.000 1.267 656 I CA 0.209 61.493 61.300 -0.027 0.000 1.169 656 I CB -0.140 37.813 38.000 -0.077 0.000 1.009 656 I HN 0.959 nan 8.210 nan 0.000 0.444 657 N N -0.993 117.699 118.700 -0.013 0.000 3.029 657 N HA 0.018 4.758 4.740 -0.000 0.000 0.198 657 N C -0.828 174.628 175.510 -0.089 0.000 1.444 657 N CA -0.558 52.460 53.050 -0.054 0.000 0.784 657 N CB -0.830 37.627 38.487 -0.050 0.000 1.539 657 N HN -0.153 nan 8.380 nan 0.000 0.582 658 D N 0.872 121.230 120.400 -0.070 0.000 2.856 658 D HA 0.143 4.783 4.640 -0.000 0.000 0.242 658 D C -0.482 175.771 176.300 -0.078 0.000 1.226 658 D CA 0.260 54.227 54.000 -0.054 0.000 0.855 658 D CB 0.176 40.959 40.800 -0.029 0.000 1.065 658 D HN 0.347 nan 8.370 nan 0.000 0.462 659 R N -0.045 120.367 120.500 -0.146 0.000 2.686 659 R HA 0.161 4.501 4.340 -0.000 0.000 0.286 659 R C 0.585 176.757 176.300 -0.213 0.000 0.969 659 R CA -0.820 55.150 56.100 -0.216 0.000 0.898 659 R CB 0.980 31.071 30.300 -0.348 0.000 1.183 659 R HN 0.178 nan 8.270 nan 0.000 0.456 660 Y N -0.106 120.155 120.300 -0.065 0.000 2.403 660 Y HA -0.081 4.469 4.550 0.000 0.000 0.291 660 Y C 0.562 176.466 175.900 0.007 0.000 1.143 660 Y CA 0.880 58.965 58.100 -0.025 0.000 1.257 660 Y CB -0.222 38.231 38.460 -0.011 0.000 0.984 660 Y HN 0.490 nan 8.280 nan 0.000 0.550 661 D N -0.258 119.825 120.400 -0.529 0.000 2.894 661 D HA 0.169 4.809 4.640 -0.000 0.000 0.273 661 D C 0.181 176.229 176.300 -0.420 0.000 1.328 661 D CA -0.102 53.659 54.000 -0.397 0.000 0.845 661 D CB -0.471 40.062 40.800 -0.443 0.000 1.072 661 D HN 0.498 nan 8.370 nan 0.000 0.484 662 M N 0.500 119.844 119.600 -0.426 0.000 3.017 662 M HA 0.223 4.703 4.480 -0.000 0.000 0.423 662 M C 0.270 176.389 176.300 -0.301 0.000 1.395 662 M CA -0.027 54.828 55.300 -0.741 0.000 0.816 662 M CB 0.885 32.798 32.600 -1.145 0.000 1.440 662 M HN 0.047 nan 8.290 nan 0.000 0.506 663 L N -0.058 121.119 121.223 -0.077 0.000 2.590 663 L HA 0.132 4.472 4.340 -0.000 0.000 0.227 663 L C 1.356 178.311 176.870 0.142 0.000 1.099 663 L CA -0.027 54.846 54.840 0.056 0.000 0.872 663 L CB -0.562 41.512 42.059 0.024 0.000 1.088 663 L HN 0.403 nan 8.230 nan 0.000 0.479 664 N N 2.600 121.386 118.700 0.143 0.000 2.715 664 N HA -0.083 4.657 4.740 -0.000 0.000 0.254 664 N C 1.127 176.757 175.510 0.200 0.000 1.306 664 N CA 0.282 53.423 53.050 0.152 0.000 0.956 664 N CB -0.475 38.070 38.487 0.098 0.000 1.296 664 N HN 0.651 nan 8.380 nan 0.000 0.512 665 I N -3.939 116.774 120.570 0.238 0.000 2.876 665 I HA 0.066 4.236 4.170 -0.000 0.000 0.264 665 I C 0.869 177.026 176.117 0.067 0.000 1.204 665 I CA -0.204 61.184 61.300 0.148 0.000 1.485 665 I CB -0.257 37.853 38.000 0.183 0.000 1.103 665 I HN 0.044 nan 8.210 nan 0.000 0.446 666 S N 1.945 117.748 115.700 0.172 0.000 2.560 666 S HA 0.289 4.759 4.470 -0.000 0.000 0.284 666 S C 0.174 174.827 174.600 0.089 0.000 1.327 666 S CA 0.076 58.363 58.200 0.144 0.000 1.055 666 S CB 0.142 63.584 63.200 0.403 0.000 0.868 666 S HN 0.633 nan 8.310 nan 0.000 0.506 667 S N 4.772 120.509 115.700 0.062 0.000 2.572 667 S HA 0.506 4.976 4.470 -0.000 0.000 0.274 667 S C -0.517 174.130 174.600 0.077 0.000 1.150 667 S CA -0.960 57.281 58.200 0.070 0.000 0.944 667 S CB 0.750 63.994 63.200 0.073 0.000 1.071 667 S HN 0.698 nan 8.310 nan 0.000 0.479 668 L N 1.866 123.126 121.223 0.061 0.000 2.425 668 L HA 0.581 4.921 4.340 -0.000 0.000 0.225 668 L C 0.535 177.432 176.870 0.045 0.000 1.222 668 L CA -0.398 54.472 54.840 0.051 0.000 0.832 668 L CB 0.559 42.640 42.059 0.037 0.000 1.238 668 L HN 0.925 nan 8.230 nan 0.000 0.533 669 R N -1.255 119.263 120.500 0.030 0.000 2.633 669 R HA 0.075 4.415 4.340 -0.000 0.000 0.255 669 R C 0.128 176.432 176.300 0.006 0.000 1.106 669 R CA -0.447 55.663 56.100 0.017 0.000 0.959 669 R CB 1.109 31.420 30.300 0.018 0.000 1.259 669 R HN 0.641 nan 8.270 nan 0.000 0.453 670 Q N 1.290 121.089 119.800 -0.003 0.000 2.364 670 Q HA -0.201 4.139 4.340 -0.000 0.000 0.209 670 Q C 0.535 176.531 176.000 -0.007 0.000 0.977 670 Q CA 2.067 57.867 55.803 -0.006 0.000 0.885 670 Q CB 0.024 28.756 28.738 -0.010 0.000 0.941 670 Q HN 0.660 nan 8.270 nan 0.000 0.464 671 D N 0.508 120.902 120.400 -0.009 0.000 2.178 671 D HA -0.095 4.545 4.640 -0.000 0.000 0.201 671 D C 1.357 177.656 176.300 -0.003 0.000 0.980 671 D CA 2.172 56.166 54.000 -0.010 0.000 0.842 671 D CB -0.254 40.536 40.800 -0.017 0.000 0.948 671 D HN 0.521 nan 8.370 nan 0.000 0.472 672 G N -0.559 108.243 108.800 0.003 0.000 2.195 672 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.224 672 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.224 672 G C 0.251 175.159 174.900 0.013 0.000 0.990 672 G CA 0.218 45.322 45.100 0.008 0.000 0.639 672 G HN 0.461 nan 8.290 nan 0.000 0.514 673 K N 1.000 121.409 120.400 0.015 0.000 2.221 673 K HA 0.636 4.956 4.320 -0.000 0.000 0.243 673 K C 0.219 176.844 176.600 0.042 0.000 0.968 673 K CA -0.048 56.253 56.287 0.023 0.000 0.846 673 K CB 1.624 34.135 32.500 0.018 0.000 1.141 673 K HN 0.270 nan 8.250 nan 0.000 0.434 674 T N -1.269 113.315 114.554 0.050 0.000 2.902 674 T HA 0.521 4.871 4.350 -0.000 0.000 0.283 674 T C -0.693 174.068 174.700 0.102 0.000 1.009 674 T CA -0.696 61.446 62.100 0.070 0.000 1.051 674 T CB 0.565 69.469 68.868 0.060 0.000 0.999 674 T HN 0.446 nan 8.240 nan 0.000 0.474 675 F N 2.865 122.772 119.950 -0.072 0.000 2.499 675 F HA 0.589 5.116 4.527 -0.000 0.000 0.333 675 F C -0.912 174.793 175.800 -0.159 0.000 1.138 675 F CA -1.811 56.114 58.000 -0.125 0.000 0.945 675 F CB 0.855 39.787 39.000 -0.114 0.000 1.181 675 F HN 0.600 nan 8.300 nan 0.000 0.435 676 I N 5.321 125.350 120.570 -0.902 0.000 2.471 676 I HA 0.113 4.283 4.170 -0.000 0.000 0.286 676 I C -0.207 175.090 176.117 -1.367 0.000 1.079 676 I CA 0.076 60.838 61.300 -0.897 0.000 1.398 676 I CB 0.438 37.988 38.000 -0.750 0.000 1.403 676 I HN 0.498 nan 8.210 nan 0.000 0.530 677 D N 6.093 126.037 120.400 -0.760 0.000 2.280 677 D HA 0.195 4.835 4.640 -0.000 0.000 0.236 677 D C 0.326 176.549 176.300 -0.128 0.000 1.082 677 D CA -0.276 53.417 54.000 -0.513 0.000 0.834 677 D CB 1.048 41.742 40.800 -0.176 0.000 1.100 677 D HN 0.222 nan 8.370 nan 0.000 0.486 678 F N 2.604 122.447 119.950 -0.179 0.000 2.387 678 F HA 0.112 4.639 4.527 -0.000 0.000 0.294 678 F C 2.072 177.848 175.800 -0.040 0.000 1.093 678 F CA 0.359 58.303 58.000 -0.093 0.000 1.420 678 F CB -0.291 38.660 39.000 -0.082 0.000 1.086 678 F HN 0.361 nan 8.300 nan 0.000 0.531 679 K N 0.663 121.154 120.400 0.152 0.000 2.063 679 K HA -0.226 4.094 4.320 -0.000 0.000 0.208 679 K C 2.008 178.612 176.600 0.008 0.000 1.048 679 K CA 1.509 57.843 56.287 0.080 0.000 0.928 679 K CB -0.285 32.250 32.500 0.058 0.000 0.713 679 K HN 0.095 nan 8.250 nan 0.000 0.442 680 K N 0.469 120.827 120.400 -0.071 0.000 2.049 680 K HA -0.236 4.084 4.320 -0.000 0.000 0.219 680 K C 1.166 177.551 176.600 -0.358 0.000 1.056 680 K CA 2.011 58.129 56.287 -0.283 0.000 0.946 680 K CB -0.140 32.093 32.500 -0.445 0.000 0.723 680 K HN 0.189 nan 8.250 nan 0.000 0.453 681 Y N -0.941 119.380 120.300 0.034 0.000 2.507 681 Y HA 0.182 4.732 4.550 -0.000 0.000 0.254 681 Y C 0.606 176.514 175.900 0.014 0.000 1.171 681 Y CA -0.332 57.778 58.100 0.016 0.000 1.238 681 Y CB 0.377 38.840 38.460 0.005 0.000 1.148 681 Y HN 0.120 nan 8.280 nan 0.000 0.525 682 N N 1.129 119.903 118.700 0.123 0.000 2.376 682 N HA 0.027 4.767 4.740 -0.000 0.000 0.249 682 N C -0.835 174.714 175.510 0.065 0.000 1.140 682 N CA 0.190 53.292 53.050 0.087 0.000 0.870 682 N CB -0.510 38.023 38.487 0.075 0.000 1.124 682 N HN 0.090 nan 8.380 nan 0.000 0.505 683 D N 1.101 121.539 120.400 0.062 0.000 2.746 683 D HA -0.277 4.363 4.640 -0.000 0.000 0.236 683 D C 0.641 176.956 176.300 0.026 0.000 1.129 683 D CA 1.219 55.243 54.000 0.041 0.000 0.691 683 D CB -1.094 39.728 40.800 0.038 0.000 1.077 683 D HN 0.790 nan 8.370 nan 0.000 0.432 684 K N -2.309 118.101 120.400 0.016 0.000 3.606 684 K HA -0.288 4.032 4.320 -0.000 0.000 0.279 684 K C -0.398 176.220 176.600 0.030 0.000 1.137 684 K CA 1.478 57.771 56.287 0.010 0.000 1.058 684 K CB -1.357 31.146 32.500 0.004 0.000 1.343 684 K HN 0.438 nan 8.250 nan 0.000 0.462 685 L N 2.042 123.290 121.223 0.041 0.000 2.334 685 L HA 0.480 4.820 4.340 -0.000 0.000 0.277 685 L C -1.950 174.970 176.870 0.083 0.000 1.075 685 L CA -2.495 52.377 54.840 0.052 0.000 0.804 685 L CB 0.946 43.029 42.059 0.040 0.000 1.174 685 L HN -0.036 nan 8.230 nan 0.000 0.438 686 P HA -0.078 nan 4.420 nan 0.000 0.270 686 P C -0.406 176.982 177.300 0.147 0.000 1.221 686 P CA -0.252 62.930 63.100 0.137 0.000 0.788 686 P CB 0.487 32.260 31.700 0.123 0.000 0.904 687 L N 2.848 124.168 121.223 0.162 0.000 2.565 687 L HA 0.080 4.420 4.340 -0.000 0.000 0.275 687 L C -0.311 176.632 176.870 0.123 0.000 1.137 687 L CA -0.436 54.457 54.840 0.088 0.000 0.915 687 L CB -0.625 41.422 42.059 -0.020 0.000 1.232 687 L HN 0.284 nan 8.230 nan 0.000 0.473 688 Y N 7.381 127.692 120.300 0.020 0.000 2.531 688 Y HA 0.301 4.851 4.550 0.000 0.000 0.347 688 Y C 0.234 176.149 175.900 0.025 0.000 1.024 688 Y CA -1.225 56.890 58.100 0.024 0.000 1.306 688 Y CB 0.144 38.619 38.460 0.024 0.000 1.149 688 Y HN 0.512 nan 8.280 nan 0.000 0.527 689 I N 2.697 123.014 120.570 -0.422 0.000 2.441 689 I HA 0.298 4.468 4.170 -0.000 0.000 0.287 689 I C 0.891 176.521 176.117 -0.811 0.000 1.049 689 I CA 0.141 61.167 61.300 -0.457 0.000 1.381 689 I CB 1.598 39.462 38.000 -0.225 0.000 1.409 689 I HN 0.637 nan 8.210 nan 0.000 0.523 690 S N 3.994 119.366 115.700 -0.546 0.000 2.387 690 S HA 0.011 4.481 4.470 -0.000 0.000 0.221 690 S C 0.689 175.132 174.600 -0.261 0.000 1.041 690 S CA 0.562 58.538 58.200 -0.374 0.000 0.959 690 S CB -0.169 63.002 63.200 -0.049 0.000 0.843 690 S HN 0.860 nan 8.310 nan 0.000 0.488 691 N N 0.312 118.743 118.700 -0.449 0.000 2.519 691 N HA 0.446 5.186 4.740 -0.000 0.000 0.286 691 N C -2.811 172.327 175.510 -0.620 0.000 1.079 691 N CA -1.939 50.774 53.050 -0.561 0.000 0.878 691 N CB 1.897 39.969 38.487 -0.693 0.000 1.375 691 N HN -0.126 nan 8.380 nan 0.000 0.514 692 P HA -0.065 nan 4.420 nan 0.000 0.234 692 P C 0.636 177.897 177.300 -0.065 0.000 1.162 692 P CA 0.764 63.781 63.100 -0.139 0.000 0.759 692 P CB 0.337 32.049 31.700 0.021 0.000 0.813 693 N N -0.073 118.530 118.700 -0.162 0.000 2.148 693 N HA -0.095 4.645 4.740 -0.000 0.000 0.186 693 N C 0.349 175.825 175.510 -0.057 0.000 1.031 693 N CA 0.609 53.659 53.050 0.000 0.000 0.848 693 N CB -0.480 37.998 38.487 -0.016 0.000 1.005 693 N HN 0.181 nan 8.380 nan 0.000 0.427 694 Y N 0.512 120.808 120.300 -0.008 0.000 2.301 694 Y HA 0.363 4.913 4.550 -0.000 0.000 0.325 694 Y C 0.549 176.400 175.900 -0.083 0.000 1.203 694 Y CA -1.417 56.657 58.100 -0.042 0.000 1.255 694 Y CB 0.415 38.855 38.460 -0.034 0.000 1.232 694 Y HN -0.058 nan 8.280 nan 0.000 0.501 695 K N 1.287 121.764 120.400 0.127 0.000 2.102 695 K HA 0.618 4.938 4.320 -0.000 0.000 0.244 695 K C -1.201 175.429 176.600 0.049 0.000 1.021 695 K CA -0.882 55.414 56.287 0.015 0.000 0.913 695 K CB 1.219 33.690 32.500 -0.048 0.000 1.062 695 K HN 0.540 nan 8.250 nan 0.000 0.485 696 V N 2.232 122.176 119.914 0.050 0.000 2.357 696 V HA 0.173 4.293 4.120 -0.000 0.000 0.284 696 V C -0.838 175.322 176.094 0.110 0.000 1.018 696 V CA -1.025 61.305 62.300 0.050 0.000 0.841 696 V CB 0.975 32.828 31.823 0.050 0.000 0.991 696 V HN 0.708 nan 8.190 nan 0.000 0.437 697 N N 3.628 122.306 118.700 -0.038 0.000 2.430 697 N HA 0.661 5.401 4.740 -0.000 0.000 0.292 697 N C -0.811 174.555 175.510 -0.240 0.000 1.051 697 N CA -0.269 52.705 53.050 -0.128 0.000 0.917 697 N CB 2.351 40.648 38.487 -0.316 0.000 1.164 697 N HN 0.381 nan 8.380 nan 0.000 0.484 698 V N 3.154 122.973 119.914 -0.158 0.000 2.709 698 V HA 0.592 4.712 4.120 -0.000 0.000 0.308 698 V C -1.037 175.050 176.094 -0.012 0.000 1.062 698 V CA -0.782 61.458 62.300 -0.099 0.000 0.901 698 V CB 1.381 33.168 31.823 -0.060 0.000 1.003 698 V HN 0.650 nan 8.190 nan 0.000 0.425 699 Y N 1.508 121.860 120.300 0.086 0.000 2.519 699 Y HA 0.871 5.421 4.550 -0.000 0.000 0.336 699 Y C -0.098 175.862 175.900 0.100 0.000 1.089 699 Y CA -1.413 56.727 58.100 0.066 0.000 1.025 699 Y CB 1.588 40.065 38.460 0.028 0.000 1.318 699 Y HN 0.701 nan 8.280 nan 0.000 0.452 700 A N 1.884 124.815 122.820 0.184 0.000 2.304 700 A HA 0.604 4.924 4.320 -0.000 0.000 0.271 700 A C -0.763 176.730 177.584 -0.152 0.000 1.091 700 A CA -0.637 51.346 52.037 -0.090 0.000 0.812 700 A CB 1.411 20.276 19.000 -0.225 0.000 1.056 700 A HN 0.924 nan 8.150 nan 0.000 0.489 701 V N 1.763 121.539 119.914 -0.230 0.000 2.409 701 V HA 0.521 4.641 4.120 -0.000 0.000 0.291 701 V C 0.238 176.244 176.094 -0.147 0.000 1.020 701 V CA -0.200 62.001 62.300 -0.166 0.000 0.848 701 V CB 1.301 33.044 31.823 -0.134 0.000 0.990 701 V HN 0.969 nan 8.190 nan 0.000 0.430 702 T N 6.292 120.779 114.554 -0.111 0.000 2.913 702 T HA 0.197 4.547 4.350 -0.000 0.000 0.297 702 T C 1.261 175.914 174.700 -0.079 0.000 1.029 702 T CA -0.170 61.875 62.100 -0.092 0.000 1.104 702 T CB 1.076 69.891 68.868 -0.087 0.000 0.964 702 T HN 0.818 nan 8.240 nan 0.000 0.532 703 K N 1.595 121.953 120.400 -0.070 0.000 2.103 703 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 703 K C 2.222 178.786 176.600 -0.060 0.000 1.048 703 K CA 1.666 57.916 56.287 -0.061 0.000 0.930 703 K CB 0.029 32.497 32.500 -0.055 0.000 0.716 703 K HN 0.761 nan 8.250 nan 0.000 0.444 704 E N 0.396 120.566 120.200 -0.050 0.000 2.268 704 E HA -0.133 4.217 4.350 -0.000 0.000 0.195 704 E C 0.992 177.563 176.600 -0.047 0.000 0.995 704 E CA 0.882 57.259 56.400 -0.037 0.000 0.836 704 E CB -0.022 29.675 29.700 -0.005 0.000 0.763 704 E HN 0.193 nan 8.360 nan 0.000 0.491 705 N N 0.762 119.428 118.700 -0.057 0.000 2.230 705 N HA 0.049 4.789 4.740 -0.000 0.000 0.202 705 N C -0.496 174.968 175.510 -0.076 0.000 1.119 705 N CA 0.216 53.227 53.050 -0.064 0.000 0.851 705 N CB 0.942 39.390 38.487 -0.065 0.000 0.990 705 N HN 0.044 nan 8.380 nan 0.000 0.497 706 T N 1.585 116.091 114.554 -0.080 0.000 2.901 706 T HA 0.334 4.684 4.350 -0.000 0.000 0.301 706 T C 0.676 175.301 174.700 -0.123 0.000 1.012 706 T CA 0.123 62.175 62.100 -0.081 0.000 1.135 706 T CB 1.187 70.009 68.868 -0.077 0.000 0.936 706 T HN -0.027 nan 8.240 nan 0.000 0.539 707 I N 4.007 124.513 120.570 -0.107 0.000 2.378 707 I HA 0.356 4.526 4.170 -0.000 0.000 0.291 707 I C 1.159 177.127 176.117 -0.248 0.000 0.992 707 I CA -0.623 60.566 61.300 -0.185 0.000 1.154 707 I CB 1.669 39.570 38.000 -0.164 0.000 1.315 707 I HN 0.708 nan 8.210 nan 0.000 0.448 708 I N 1.389 121.714 120.570 -0.410 0.000 4.181 708 I HA 0.384 4.554 4.170 -0.000 0.000 0.331 708 I C -0.143 175.664 176.117 -0.518 0.000 1.312 708 I CA -0.008 61.031 61.300 -0.435 0.000 1.146 708 I CB 0.293 37.978 38.000 -0.524 0.000 1.074 708 I HN 0.453 nan 8.210 nan 0.000 0.402 709 N N 1.669 119.947 118.700 -0.703 0.000 2.249 709 N HA 0.500 5.240 4.740 -0.000 0.000 0.296 709 N C -2.754 172.301 175.510 -0.758 0.000 1.051 709 N CA -1.266 51.369 53.050 -0.692 0.000 0.815 709 N CB 2.008 40.261 38.487 -0.390 0.000 1.487 709 N HN -0.124 nan 8.380 nan 0.000 0.475 710 P HA -0.030 nan 4.420 nan 0.000 0.267 710 P C -0.144 177.031 177.300 -0.209 0.000 1.201 710 P CA -0.130 62.791 63.100 -0.299 0.000 0.775 710 P CB 0.382 32.053 31.700 -0.049 0.000 0.854 711 S N 1.167 116.786 115.700 -0.134 0.000 2.611 711 S HA -0.064 4.406 4.470 -0.000 0.000 0.252 711 S C 1.381 175.934 174.600 -0.078 0.000 1.369 711 S CA 0.174 58.312 58.200 -0.102 0.000 0.975 711 S CB 0.007 63.167 63.200 -0.066 0.000 0.937 711 S HN 0.638 nan 8.310 nan 0.000 0.584 712 E N 0.921 121.083 120.200 -0.064 0.000 2.209 712 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 712 E C 1.104 177.685 176.600 -0.031 0.000 0.993 712 E CA 1.553 57.925 56.400 -0.046 0.000 0.819 712 E CB -0.745 28.932 29.700 -0.039 0.000 0.745 712 E HN 0.659 nan 8.360 nan 0.000 0.477 713 N N 0.793 119.476 118.700 -0.028 0.000 2.453 713 N HA -0.009 4.731 4.740 -0.000 0.000 0.183 713 N C 1.313 176.818 175.510 -0.009 0.000 1.041 713 N CA 1.302 54.343 53.050 -0.015 0.000 0.900 713 N CB 0.052 38.531 38.487 -0.013 0.000 0.961 713 N HN 0.489 nan 8.380 nan 0.000 0.443 714 G N 0.353 109.144 108.800 -0.015 0.000 2.159 714 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.256 714 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.256 714 G C -0.287 174.624 174.900 0.019 0.000 0.977 714 G CA 0.223 45.323 45.100 -0.001 0.000 0.652 714 G HN 0.489 nan 8.290 nan 0.000 0.531 715 D N 0.150 120.556 120.400 0.009 0.000 2.458 715 D HA 0.475 5.115 4.640 -0.000 0.000 0.243 715 D C 1.521 177.865 176.300 0.073 0.000 1.146 715 D CA 0.998 55.014 54.000 0.027 0.000 0.877 715 D CB 0.646 41.450 40.800 0.008 0.000 1.176 715 D HN 0.066 nan 8.370 nan 0.000 0.461 716 T N 1.212 115.826 114.554 0.100 0.000 3.054 716 T HA 0.076 4.426 4.350 -0.000 0.000 0.255 716 T C 0.868 175.640 174.700 0.120 0.000 1.035 716 T CA -0.342 61.870 62.100 0.187 0.000 0.941 716 T CB 0.050 68.975 68.868 0.094 0.000 1.026 716 T HN 0.346 nan 8.240 nan 0.000 0.533 717 S N 1.044 116.783 115.700 0.065 0.000 2.572 717 S HA 0.017 4.487 4.470 -0.000 0.000 0.267 717 S C 1.463 176.087 174.600 0.040 0.000 1.361 717 S CA 0.106 58.324 58.200 0.031 0.000 1.009 717 S CB 0.567 63.776 63.200 0.014 0.000 0.888 717 S HN 0.288 nan 8.310 nan 0.000 0.553 718 T N 2.473 117.034 114.554 0.011 0.000 3.051 718 T HA 0.065 4.415 4.350 -0.000 0.000 0.255 718 T C 0.587 175.276 174.700 -0.018 0.000 1.085 718 T CA 0.307 62.407 62.100 0.001 0.000 1.109 718 T CB -0.413 68.445 68.868 -0.016 0.000 0.921 718 T HN 0.871 nan 8.240 nan 0.000 0.488 719 N N 1.438 120.129 118.700 -0.015 0.000 2.273 719 N HA 0.223 4.963 4.740 -0.000 0.000 0.227 719 N C 1.386 176.876 175.510 -0.033 0.000 1.292 719 N CA 0.946 53.981 53.050 -0.024 0.000 0.875 719 N CB -0.327 38.152 38.487 -0.014 0.000 1.105 719 N HN 0.241 nan 8.380 nan 0.000 0.434 720 G N -0.455 108.321 108.800 -0.040 0.000 2.435 720 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.245 720 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.245 720 G C 0.244 175.109 174.900 -0.060 0.000 1.073 720 G CA 0.399 45.472 45.100 -0.044 0.000 0.638 720 G HN 0.729 nan 8.290 nan 0.000 0.521 721 I N 2.144 122.673 120.570 -0.068 0.000 2.662 721 I HA 0.067 4.237 4.170 -0.000 0.000 0.285 721 I C 1.085 177.132 176.117 -0.117 0.000 1.161 721 I CA 0.243 61.492 61.300 -0.085 0.000 1.415 721 I CB 0.578 38.529 38.000 -0.081 0.000 1.385 721 I HN 0.079 nan 8.210 nan 0.000 0.552 722 K N 7.990 128.328 120.400 -0.102 0.000 2.436 722 K HA 0.075 4.395 4.320 -0.000 0.000 0.282 722 K C -0.273 176.232 176.600 -0.159 0.000 1.044 722 K CA 0.170 56.392 56.287 -0.109 0.000 1.028 722 K CB 0.462 32.918 32.500 -0.074 0.000 0.919 722 K HN 0.521 nan 8.250 nan 0.000 0.474 723 K N 3.207 123.478 120.400 -0.215 0.000 2.400 723 K HA 0.575 4.895 4.320 -0.000 0.000 0.246 723 K C -0.485 176.018 176.600 -0.162 0.000 0.995 723 K CA -0.932 55.164 56.287 -0.318 0.000 0.840 723 K CB 1.537 33.555 32.500 -0.802 0.000 1.293 723 K HN 0.321 nan 8.250 nan 0.000 0.445 724 I N 2.154 122.684 120.570 -0.066 0.000 2.503 724 I HA 0.186 4.356 4.170 -0.000 0.000 0.282 724 I C -0.297 175.931 176.117 0.185 0.000 1.059 724 I CA -0.923 60.409 61.300 0.054 0.000 1.081 724 I CB 1.584 39.591 38.000 0.012 0.000 1.210 724 I HN 0.453 nan 8.210 nan 0.000 0.450 725 L N 6.606 127.976 121.223 0.246 0.000 2.615 725 L HA -0.017 4.323 4.340 -0.000 0.000 0.284 725 L C 1.047 177.984 176.870 0.111 0.000 1.237 725 L CA 0.944 55.905 54.840 0.201 0.000 0.905 725 L CB 0.385 42.510 42.059 0.110 0.000 1.149 725 L HN 0.716 nan 8.230 nan 0.000 0.499 726 I N 0.287 120.915 120.570 0.095 0.000 4.453 726 I HA 0.392 4.562 4.170 -0.000 0.000 0.342 726 I C -0.414 175.813 176.117 0.183 0.000 1.341 726 I CA -0.345 61.000 61.300 0.075 0.000 1.217 726 I CB 0.727 38.652 38.000 -0.125 0.000 1.545 726 I HN 0.383 nan 8.210 nan 0.000 0.557 727 F N 1.916 121.833 119.950 -0.055 0.000 2.725 727 F HA 0.616 5.143 4.527 -0.000 0.000 0.311 727 F C -1.724 174.016 175.800 -0.100 0.000 1.121 727 F CA -0.009 57.956 58.000 -0.059 0.000 0.978 727 F CB 1.798 40.771 39.000 -0.045 0.000 1.274 727 F HN 0.140 nan 8.300 nan 0.000 0.440 728 S N 3.536 118.835 115.700 -0.667 0.000 2.482 728 S HA 0.517 4.987 4.470 -0.000 0.000 0.295 728 S C -2.075 172.198 174.600 -0.544 0.000 1.038 728 S CA -1.077 56.895 58.200 -0.380 0.000 0.968 728 S CB 1.105 64.183 63.200 -0.203 0.000 1.182 728 S HN 0.712 nan 8.310 nan 0.000 0.441 729 K N 2.019 122.197 120.400 -0.371 0.000 2.507 729 K HA 0.428 4.748 4.320 -0.000 0.000 0.251 729 K C 0.300 176.760 176.600 -0.233 0.000 0.943 729 K CA -0.923 55.176 56.287 -0.314 0.000 0.794 729 K CB 2.066 34.387 32.500 -0.298 0.000 1.188 729 K HN 0.495 nan 8.250 nan 0.000 0.428 730 K N 0.777 120.963 120.400 -0.357 0.000 2.304 730 K HA -0.245 4.075 4.320 -0.000 0.000 0.204 730 K C 1.105 177.449 176.600 -0.425 0.000 1.044 730 K CA 1.908 57.950 56.287 -0.408 0.000 0.932 730 K CB -0.045 32.100 32.500 -0.590 0.000 0.735 730 K HN 1.044 nan 8.250 nan 0.000 0.468 731 G N -0.283 108.252 108.800 -0.441 0.000 2.436 731 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.204 731 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.204 731 G C 0.544 175.331 174.900 -0.189 0.000 1.026 731 G CA 0.085 45.042 45.100 -0.239 0.000 0.658 731 G HN 0.273 nan 8.290 nan 0.000 0.499 732 Y N 0.325 120.600 120.300 -0.042 0.000 2.837 732 Y HA 0.581 5.130 4.550 -0.000 0.000 0.498 732 Y C 2.098 177.993 175.900 -0.009 0.000 1.430 732 Y CA 0.695 58.774 58.100 -0.035 0.000 2.159 732 Y CB -0.665 37.768 38.460 -0.045 0.000 1.806 732 Y HN 0.063 nan 8.280 nan 0.000 0.672 733 E N 0.984 121.411 120.200 0.378 0.000 2.136 733 E HA -0.293 4.057 4.350 -0.000 0.000 0.208 733 E C 1.846 178.532 176.600 0.144 0.000 1.035 733 E CA 2.759 59.284 56.400 0.208 0.000 0.838 733 E CB -0.532 29.272 29.700 0.173 0.000 0.748 733 E HN 0.790 nan 8.360 nan 0.000 0.459 734 I N -1.005 119.652 120.570 0.145 0.000 2.099 734 I HA -0.078 4.092 4.170 -0.000 0.000 0.239 734 I C 1.788 177.913 176.117 0.013 0.000 1.066 734 I CA 1.489 62.803 61.300 0.024 0.000 1.324 734 I CB -1.417 36.535 38.000 -0.080 0.000 1.037 734 I HN 0.011 nan 8.210 nan 0.000 0.401 735 G N 0.000 108.780 108.800 -0.034 0.000 5.446 735 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 735 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 735 G CA 0.000 45.137 45.100 0.061 0.000 0.502 735 G HN 0.000 nan 8.290 nan 0.000 0.925