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 1tzn_1_M DATA FIRST_RESID 174 DATA SEQUENCE TVPDRDNDGI PDSLEVEGYT VDVKNKRTFL SPWISNIHEK KGLTKYKSSP DATA SEQUENCE EKWSTASDPY SDFEKVTGRI DKNVSPEARH PLVAAYPIVH VDMENIILSK DATA SEQUENCE NEXXXXXXXD SQTRTISKNT STSRTHTSEV HGNAEVHASF FDIGGSVSAG DATA SEQUENCE FSNSNSSTVA IDHSLSLAGE RTWAETMGLN TADTARLNAN IRYVNTGTAP DATA SEQUENCE IYNVLPTTSL VLGKNQTLAT IKAKENQLSQ ILAPNNYYPS KNLAPIALNA DATA SEQUENCE QXXXSSTPIT 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 0.000 174.697 174.700 -0.004 0.000 1.109 174 T CA 0.000 62.099 62.100 -0.001 0.000 1.349 174 T CB 0.000 68.869 68.868 0.001 0.000 0.612 175 V N 3.315 123.224 119.914 -0.009 0.000 2.617 175 V HA 0.259 4.379 4.120 -0.000 0.000 0.304 175 V C -1.803 174.282 176.094 -0.015 0.000 1.040 175 V CA -0.803 61.489 62.300 -0.014 0.000 1.149 175 V CB -0.117 31.692 31.823 -0.023 0.000 0.914 175 V HN 0.339 nan 8.190 nan 0.000 0.487 176 P HA 0.247 nan 4.420 nan 0.000 0.262 176 P C -0.718 176.572 177.300 -0.016 0.000 1.199 176 P CA 0.321 63.416 63.100 -0.008 0.000 0.763 176 P CB 0.212 31.911 31.700 -0.001 0.000 0.790 177 D N 1.706 122.099 120.400 -0.013 0.000 2.362 177 D HA 0.102 4.742 4.640 -0.000 0.000 0.232 177 D C 0.747 177.047 176.300 0.000 0.000 1.329 177 D CA -0.436 53.553 54.000 -0.019 0.000 0.944 177 D CB 0.664 41.438 40.800 -0.045 0.000 1.471 177 D HN 0.011 nan 8.370 nan 0.000 0.533 178 R N 1.377 121.883 120.500 0.010 0.000 2.062 178 R HA -0.036 4.304 4.340 -0.000 0.000 0.231 178 R C 1.348 177.673 176.300 0.041 0.000 1.136 178 R CA 1.874 57.987 56.100 0.022 0.000 0.948 178 R CB -0.333 29.980 30.300 0.022 0.000 0.845 178 R HN 0.456 nan 8.270 nan 0.000 0.430 179 D N 0.142 120.568 120.400 0.045 0.000 2.203 179 D HA -0.285 4.355 4.640 -0.000 0.000 0.199 179 D C 0.642 177.021 176.300 0.131 0.000 0.997 179 D CA 1.556 55.606 54.000 0.084 0.000 0.863 179 D CB -0.418 40.410 40.800 0.046 0.000 0.928 179 D HN 0.315 nan 8.370 nan 0.000 0.458 180 N N -0.606 118.137 118.700 0.071 0.000 2.850 180 N HA -0.236 4.504 4.740 -0.000 0.000 0.249 180 N C -0.011 175.560 175.510 0.101 0.000 1.060 180 N CA 1.369 54.469 53.050 0.084 0.000 0.825 180 N CB -1.651 36.907 38.487 0.119 0.000 1.132 180 N HN 0.599 nan 8.380 nan 0.000 0.564 181 D N -1.869 118.531 120.400 0.001 0.000 2.234 181 D HA 0.198 4.838 4.640 -0.000 0.000 0.205 181 D C 1.647 177.833 176.300 -0.189 0.000 0.962 181 D CA 1.333 55.242 54.000 -0.152 0.000 0.855 181 D CB -0.446 40.149 40.800 -0.343 0.000 0.951 181 D HN 0.649 nan 8.370 nan 0.000 0.500 182 G N -0.416 108.225 108.800 -0.266 0.000 2.183 182 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.168 182 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.168 182 G C -0.106 174.445 174.900 -0.581 0.000 1.008 182 G CA -0.127 44.666 45.100 -0.511 0.000 0.677 182 G HN 0.323 nan 8.290 nan 0.000 0.498 183 I N 1.753 122.092 120.570 -0.386 0.000 2.464 183 I HA 0.264 4.434 4.170 -0.000 0.000 0.277 183 I C -2.380 173.603 176.117 -0.223 0.000 1.040 183 I CA -2.250 58.824 61.300 -0.376 0.000 1.153 183 I CB 2.033 39.752 38.000 -0.468 0.000 1.274 183 I HN -0.194 nan 8.210 nan 0.000 0.469 184 P HA -0.097 nan 4.420 nan 0.000 0.255 184 P C 0.387 177.659 177.300 -0.047 0.000 1.151 184 P CA 0.451 63.498 63.100 -0.088 0.000 0.767 184 P CB 0.358 32.018 31.700 -0.067 0.000 0.736 185 D N 2.687 123.072 120.400 -0.025 0.000 2.984 185 D HA -0.310 4.330 4.640 -0.000 0.000 0.266 185 D C 1.962 178.281 176.300 0.032 0.000 1.083 185 D CA 2.602 56.605 54.000 0.006 0.000 0.985 185 D CB -1.190 39.616 40.800 0.010 0.000 1.137 185 D HN 0.502 nan 8.370 nan 0.000 0.495 186 S N 1.372 117.092 115.700 0.034 0.000 2.422 186 S HA -0.287 4.183 4.470 -0.000 0.000 0.248 186 S C 2.395 177.051 174.600 0.092 0.000 1.069 186 S CA 2.083 60.316 58.200 0.055 0.000 1.214 186 S CB -1.212 62.016 63.200 0.047 0.000 1.122 186 S HN 0.402 nan 8.310 nan 0.000 0.432 187 L N 1.617 122.895 121.223 0.091 0.000 2.030 187 L HA -0.257 4.083 4.340 -0.000 0.000 0.222 187 L C 3.100 180.188 176.870 0.363 0.000 1.082 187 L CA 2.414 57.356 54.840 0.170 0.000 0.785 187 L CB -0.709 41.373 42.059 0.038 0.000 0.895 187 L HN 0.541 nan 8.230 nan 0.000 0.439 188 E N -0.674 119.679 120.200 0.254 0.000 2.338 188 E HA -0.138 4.212 4.350 -0.000 0.000 0.197 188 E C 1.877 178.606 176.600 0.214 0.000 1.007 188 E CA 0.769 57.402 56.400 0.389 0.000 0.849 188 E CB 0.304 30.109 29.700 0.175 0.000 0.774 188 E HN 0.362 nan 8.360 nan 0.000 0.506 189 V N 0.221 120.215 119.914 0.133 0.000 2.581 189 V HA -0.033 4.087 4.120 -0.000 0.000 0.240 189 V C 1.510 177.639 176.094 0.058 0.000 1.054 189 V CA 1.017 63.362 62.300 0.074 0.000 1.076 189 V CB -0.079 31.778 31.823 0.056 0.000 0.748 189 V HN 0.128 nan 8.190 nan 0.000 0.474 190 E N 0.759 121.007 120.200 0.081 0.000 2.502 190 E HA 0.378 4.728 4.350 -0.000 0.000 0.194 190 E C 0.850 177.497 176.600 0.079 0.000 1.062 190 E CA 0.541 56.988 56.400 0.078 0.000 0.867 190 E CB 0.193 29.950 29.700 0.094 0.000 0.888 190 E HN 0.615 nan 8.360 nan 0.000 0.510 191 G N 1.096 109.922 108.800 0.043 0.000 2.784 191 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.686 191 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.686 191 G C -0.924 174.014 174.900 0.064 0.000 1.156 191 G CA -0.488 44.560 45.100 -0.088 0.000 0.757 191 G HN 0.183 nan 8.290 nan 0.000 0.642 192 Y N -2.063 118.199 120.300 -0.063 0.000 2.871 192 Y HA 0.905 5.455 4.550 -0.000 0.000 0.331 192 Y C -0.071 175.794 175.900 -0.058 0.000 1.378 192 Y CA -0.327 57.784 58.100 0.017 0.000 1.079 192 Y CB 0.960 39.449 38.460 0.048 0.000 1.441 192 Y HN 1.823 nan 8.280 nan 0.000 0.446 193 T N -0.528 114.278 114.554 0.420 0.000 2.648 193 T HA 0.618 4.968 4.350 -0.000 0.000 0.300 193 T C -2.504 172.375 174.700 0.298 0.000 1.751 193 T CA -0.250 62.031 62.100 0.302 0.000 0.959 193 T CB 0.818 69.633 68.868 -0.087 0.000 1.888 193 T HN 1.137 nan 8.240 nan 0.000 0.480 194 V N 1.901 121.966 119.914 0.252 0.000 2.971 194 V HA 0.768 4.888 4.120 -0.000 0.000 0.309 194 V C -0.767 175.436 176.094 0.181 0.000 1.130 194 V CA -0.633 61.796 62.300 0.215 0.000 0.964 194 V CB 2.058 34.003 31.823 0.204 0.000 1.029 194 V HN 1.085 nan 8.190 nan 0.000 0.427 195 D N 1.158 121.678 120.400 0.200 0.000 2.732 195 D HA 0.744 5.384 4.640 -0.000 0.000 0.292 195 D C -1.327 175.078 176.300 0.174 0.000 1.135 195 D CA -0.262 53.849 54.000 0.185 0.000 1.071 195 D CB 2.531 43.464 40.800 0.222 0.000 1.457 195 D HN 0.573 nan 8.370 nan 0.000 0.547 196 V N 0.169 120.173 119.914 0.150 0.000 2.419 196 V HA 0.487 4.607 4.120 -0.000 0.000 0.287 196 V C 0.789 176.973 176.094 0.150 0.000 1.017 196 V CA -0.815 61.551 62.300 0.111 0.000 0.844 196 V CB 0.956 32.810 31.823 0.053 0.000 1.011 196 V HN 0.663 nan 8.190 nan 0.000 0.429 197 K N 4.006 124.555 120.400 0.249 0.000 1.986 197 K HA -0.057 4.263 4.320 -0.000 0.000 0.216 197 K C 1.583 178.273 176.600 0.150 0.000 1.012 197 K CA 1.559 58.001 56.287 0.259 0.000 1.025 197 K CB -0.095 32.689 32.500 0.474 0.000 0.975 197 K HN 0.781 nan 8.250 nan 0.000 0.453 198 N N 0.491 119.278 118.700 0.145 0.000 2.009 198 N HA -0.125 4.615 4.740 -0.000 0.000 0.195 198 N C 0.794 176.334 175.510 0.051 0.000 1.076 198 N CA 1.459 54.559 53.050 0.085 0.000 0.863 198 N CB -0.072 38.461 38.487 0.077 0.000 1.062 198 N HN 0.258 nan 8.380 nan 0.000 0.425 199 K N 0.133 120.545 120.400 0.021 0.000 2.625 199 K HA 0.256 4.576 4.320 -0.000 0.000 0.190 199 K C -0.522 176.051 176.600 -0.045 0.000 1.174 199 K CA -0.087 56.200 56.287 0.000 0.000 1.103 199 K CB 1.024 33.527 32.500 0.005 0.000 0.900 199 K HN 0.078 nan 8.250 nan 0.000 0.540 200 R N 0.657 121.093 120.500 -0.107 0.000 2.720 200 R HA 0.407 4.747 4.340 -0.000 0.000 0.272 200 R C 0.082 176.194 176.300 -0.313 0.000 0.991 200 R CA -0.472 55.477 56.100 -0.252 0.000 1.010 200 R CB 0.518 30.561 30.300 -0.429 0.000 1.141 200 R HN 0.011 nan 8.270 nan 0.000 0.494 201 T N -1.146 113.223 114.554 -0.308 0.000 2.743 201 T HA 0.569 4.919 4.350 -0.000 0.000 0.292 201 T C -0.624 173.932 174.700 -0.239 0.000 0.972 201 T CA -0.492 61.503 62.100 -0.174 0.000 0.967 201 T CB 0.051 68.888 68.868 -0.052 0.000 0.926 201 T HN 0.179 nan 8.240 nan 0.000 0.459 202 F N 3.209 123.215 119.950 0.093 0.000 2.411 202 F HA 0.487 5.014 4.527 -0.000 0.000 0.352 202 F C -0.072 175.791 175.800 0.105 0.000 1.123 202 F CA -1.821 56.235 58.000 0.092 0.000 1.044 202 F CB 1.714 40.768 39.000 0.090 0.000 1.135 202 F HN 0.485 nan 8.300 nan 0.000 0.461 203 L N 4.150 125.547 121.223 0.291 0.000 2.268 203 L HA 0.496 4.836 4.340 -0.000 0.000 0.289 203 L C -0.111 176.861 176.870 0.170 0.000 1.064 203 L CA 0.335 55.285 54.840 0.184 0.000 0.824 203 L CB 0.169 42.268 42.059 0.065 0.000 1.202 203 L HN 0.514 nan 8.230 nan 0.000 0.433 204 S N 6.677 122.500 115.700 0.205 0.000 2.600 204 S HA 0.802 5.272 4.470 -0.000 0.000 0.300 204 S C -2.745 172.008 174.600 0.254 0.000 1.087 204 S CA -1.507 56.818 58.200 0.207 0.000 0.965 204 S CB 1.656 65.006 63.200 0.249 0.000 1.089 204 S HN 0.563 nan 8.310 nan 0.000 0.496 205 P HA 0.061 nan 4.420 nan 0.000 0.273 205 P C -0.376 177.179 177.300 0.425 0.000 1.250 205 P CA -0.538 62.741 63.100 0.298 0.000 0.793 205 P CB 0.383 32.211 31.700 0.213 0.000 1.011 206 W N 1.619 122.993 121.300 0.124 0.000 2.158 206 W HA 0.210 4.870 4.660 -0.000 0.000 0.339 206 W C -0.691 175.972 176.519 0.241 0.000 1.294 206 W CA -0.294 57.133 57.345 0.137 0.000 1.231 206 W CB 0.534 30.021 29.460 0.046 0.000 1.143 206 W HN 0.121 nan 8.180 nan 0.000 0.571 207 I N 5.447 125.874 120.570 -0.240 0.000 2.649 207 I HA -0.054 4.116 4.170 -0.000 0.000 0.275 207 I C 1.037 176.659 176.117 -0.824 0.000 1.180 207 I CA -0.430 60.616 61.300 -0.424 0.000 1.049 207 I CB 0.696 38.449 38.000 -0.412 0.000 1.234 207 I HN 0.455 nan 8.210 nan 0.000 0.506 208 S N 3.175 118.387 115.700 -0.813 0.000 2.421 208 S HA -0.211 4.259 4.470 -0.000 0.000 0.239 208 S C 1.536 175.907 174.600 -0.382 0.000 1.054 208 S CA 1.660 59.513 58.200 -0.578 0.000 1.035 208 S CB -0.114 62.941 63.200 -0.242 0.000 0.840 208 S HN 0.634 nan 8.310 nan 0.000 0.475 209 N N 1.728 120.229 118.700 -0.331 0.000 2.075 209 N HA 0.040 4.780 4.740 -0.000 0.000 0.192 209 N C 1.943 177.303 175.510 -0.251 0.000 1.081 209 N CA 1.179 54.088 53.050 -0.235 0.000 0.985 209 N CB -0.898 37.470 38.487 -0.198 0.000 1.154 209 N HN 0.450 nan 8.380 nan 0.000 0.484 210 I N -0.294 120.118 120.570 -0.265 0.000 2.227 210 I HA -0.331 3.839 4.170 -0.000 0.000 0.250 210 I C 2.057 178.049 176.117 -0.208 0.000 1.087 210 I CA 1.788 62.944 61.300 -0.240 0.000 1.352 210 I CB -0.613 37.212 38.000 -0.291 0.000 1.043 210 I HN 0.206 nan 8.210 nan 0.000 0.425 211 H N 1.158 120.066 119.070 -0.271 0.000 2.268 211 H HA -0.099 4.457 4.556 -0.000 0.000 0.304 211 H C 2.125 177.350 175.328 -0.171 0.000 1.064 211 H CA 1.958 57.845 56.048 -0.269 0.000 1.316 211 H CB -0.626 28.756 29.762 -0.634 0.000 1.386 211 H HN 0.513 nan 8.280 nan 0.000 0.496 212 E N 1.128 121.224 120.200 -0.173 0.000 2.393 212 E HA -0.184 4.166 4.350 -0.000 0.000 0.201 212 E C 1.539 178.169 176.600 0.050 0.000 1.025 212 E CA 0.975 57.401 56.400 0.043 0.000 0.856 212 E CB 0.167 29.869 29.700 0.003 0.000 0.771 212 E HN 0.402 nan 8.360 nan 0.000 0.526 213 K N 0.093 120.497 120.400 0.006 0.000 2.029 213 K HA -0.010 4.310 4.320 -0.000 0.000 0.205 213 K C 1.925 178.551 176.600 0.042 0.000 1.042 213 K CA 0.851 57.146 56.287 0.014 0.000 0.949 213 K CB -0.009 32.480 32.500 -0.017 0.000 0.740 213 K HN -0.041 nan 8.250 nan 0.000 0.442 214 K N 0.114 120.548 120.400 0.057 0.000 2.520 214 K HA -0.092 4.228 4.320 -0.000 0.000 0.197 214 K C 0.953 177.603 176.600 0.083 0.000 1.043 214 K CA 0.891 57.222 56.287 0.074 0.000 0.944 214 K CB -0.035 32.524 32.500 0.099 0.000 0.770 214 K HN 0.526 nan 8.250 nan 0.000 0.480 215 G N 0.728 109.584 108.800 0.093 0.000 2.176 215 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.232 215 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.232 215 G C 0.315 175.271 174.900 0.093 0.000 0.986 215 G CA -0.133 45.019 45.100 0.086 0.000 0.643 215 G HN 0.122 nan 8.290 nan 0.000 0.522 216 L N 0.196 121.497 121.223 0.130 0.000 2.348 216 L HA 0.506 4.846 4.340 -0.000 0.000 0.200 216 L C 1.190 178.062 176.870 0.004 0.000 1.154 216 L CA 0.732 55.624 54.840 0.087 0.000 0.856 216 L CB -0.069 42.080 42.059 0.151 0.000 1.297 216 L HN 0.237 nan 8.230 nan 0.000 0.550 217 T N -1.251 113.125 114.554 -0.297 0.000 2.901 217 T HA 0.253 4.603 4.350 -0.000 0.000 0.293 217 T C -0.755 173.244 174.700 -1.168 0.000 1.084 217 T CA -0.789 60.944 62.100 -0.610 0.000 1.008 217 T CB 1.868 70.292 68.868 -0.739 0.000 1.170 217 T HN 0.326 nan 8.240 nan 0.000 0.509 218 K N 1.740 121.415 120.400 -1.208 0.000 2.257 218 K HA 0.282 4.601 4.320 -0.000 0.000 0.270 218 K C -1.191 174.847 176.600 -0.937 0.000 1.098 218 K CA -0.439 54.966 56.287 -1.469 0.000 0.943 218 K CB 0.005 31.680 32.500 -1.377 0.000 1.316 218 K HN 0.477 nan 8.250 nan 0.000 0.447 219 Y N 3.360 123.148 120.300 -0.854 0.000 2.636 219 Y HA 0.122 4.672 4.550 -0.000 0.000 0.341 219 Y C 0.283 175.493 175.900 -1.151 0.000 1.169 219 Y CA -0.504 57.022 58.100 -0.956 0.000 1.498 219 Y CB 0.349 38.231 38.460 -0.963 0.000 1.362 219 Y HN 0.309 nan 8.280 nan 0.000 0.494 220 K N 2.997 123.105 120.400 -0.485 0.000 2.268 220 K HA 0.421 4.741 4.320 -0.000 0.000 0.276 220 K C -0.144 176.373 176.600 -0.139 0.000 1.080 220 K CA -0.150 55.947 56.287 -0.316 0.000 0.910 220 K CB 0.398 32.784 32.500 -0.191 0.000 1.163 220 K HN 0.648 nan 8.250 nan 0.000 0.465 221 S N 1.746 117.419 115.700 -0.045 0.000 2.694 221 S HA 0.414 4.884 4.470 -0.000 0.000 0.286 221 S C -0.298 174.341 174.600 0.066 0.000 1.080 221 S CA -0.831 57.398 58.200 0.048 0.000 0.953 221 S CB 1.236 64.501 63.200 0.108 0.000 1.313 221 S HN 0.406 nan 8.310 nan 0.000 0.555 222 S N 1.726 117.464 115.700 0.063 0.000 2.500 222 S HA 0.528 4.998 4.470 -0.000 0.000 0.301 222 S C -2.174 172.454 174.600 0.047 0.000 1.092 222 S CA -2.041 56.189 58.200 0.050 0.000 1.030 222 S CB 1.613 64.837 63.200 0.038 0.000 1.031 222 S HN 0.532 nan 8.310 nan 0.000 0.483 223 P HA 0.087 nan 4.420 nan 0.000 0.236 223 P C 0.277 177.596 177.300 0.032 0.000 1.177 223 P CA 0.658 63.776 63.100 0.030 0.000 0.773 223 P CB 0.215 31.932 31.700 0.029 0.000 0.878 224 E N -0.203 120.019 120.200 0.038 0.000 2.465 224 E HA 0.151 4.501 4.350 -0.000 0.000 0.195 224 E C 0.079 176.716 176.600 0.062 0.000 1.028 224 E CA 0.052 56.478 56.400 0.044 0.000 0.899 224 E CB 0.350 30.070 29.700 0.034 0.000 1.032 224 E HN 0.324 nan 8.360 nan 0.000 0.468 225 K N -0.173 120.268 120.400 0.070 0.000 2.443 225 K HA 0.114 4.434 4.320 -0.000 0.000 0.252 225 K C -0.565 176.116 176.600 0.135 0.000 0.933 225 K CA -0.640 55.709 56.287 0.102 0.000 0.792 225 K CB 1.526 34.073 32.500 0.078 0.000 1.185 225 K HN -0.008 nan 8.250 nan 0.000 0.425 226 W N 2.307 123.608 121.300 0.001 0.000 2.364 226 W HA -0.091 4.569 4.660 -0.000 0.000 0.281 226 W C 0.515 177.045 176.519 0.017 0.000 1.219 226 W CA 1.249 58.595 57.345 0.001 0.000 1.220 226 W CB 0.497 29.945 29.460 -0.019 0.000 1.127 226 W HN 0.395 nan 8.180 nan 0.000 0.556 227 S N -0.921 114.874 115.700 0.159 0.000 2.423 227 S HA 0.164 4.634 4.470 -0.000 0.000 0.213 227 S C 0.630 175.279 174.600 0.082 0.000 1.131 227 S CA -0.055 58.187 58.200 0.070 0.000 1.155 227 S CB 0.203 63.510 63.200 0.178 0.000 1.202 227 S HN -0.008 nan 8.310 nan 0.000 0.441 228 T N 2.927 117.509 114.554 0.046 0.000 2.751 228 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 228 T C 1.935 176.661 174.700 0.043 0.000 1.045 228 T CA 1.991 64.118 62.100 0.046 0.000 1.142 228 T CB -0.250 68.641 68.868 0.039 0.000 0.851 228 T HN 0.779 nan 8.240 nan 0.000 0.474 229 A N -0.115 122.735 122.820 0.050 0.000 2.123 229 A HA 0.296 4.616 4.320 -0.000 0.000 0.214 229 A C 1.941 179.553 177.584 0.047 0.000 1.152 229 A CA 1.269 53.327 52.037 0.035 0.000 0.728 229 A CB -0.155 18.870 19.000 0.042 0.000 0.814 229 A HN 0.371 nan 8.150 nan 0.000 0.464 230 S N -1.224 114.527 115.700 0.084 0.000 1.646 230 S HA -0.202 4.268 4.470 -0.000 0.000 0.244 230 S C 0.297 174.974 174.600 0.127 0.000 0.878 230 S CA 0.908 59.163 58.200 0.092 0.000 1.313 230 S CB -1.937 61.295 63.200 0.053 0.000 1.591 230 S HN 1.035 nan 8.310 nan 0.000 0.522 231 D N 3.946 124.449 120.400 0.171 0.000 2.370 231 D HA 0.197 4.837 4.640 -0.000 0.000 0.235 231 D C -1.915 174.500 176.300 0.192 0.000 1.228 231 D CA -0.639 53.519 54.000 0.263 0.000 0.884 231 D CB -0.237 40.828 40.800 0.441 0.000 1.201 231 D HN 0.271 nan 8.370 nan 0.000 0.456 232 P HA 0.062 nan 4.420 nan 0.000 0.231 232 P C -1.256 175.716 177.300 -0.546 0.000 1.756 232 P CA -0.051 62.858 63.100 -0.319 0.000 0.990 232 P CB -0.928 30.379 31.700 -0.654 0.000 1.973 233 Y N -0.912 119.526 120.300 0.230 0.000 2.278 233 Y HA 0.097 4.647 4.550 -0.000 0.000 0.328 233 Y C 0.604 176.376 175.900 -0.212 0.000 1.166 233 Y CA -0.938 57.204 58.100 0.070 0.000 1.211 233 Y CB 0.903 39.373 38.460 0.016 0.000 1.167 233 Y HN 0.036 nan 8.280 nan 0.000 0.434 234 S N 1.114 116.386 115.700 -0.713 0.000 2.563 234 S HA -0.060 4.410 4.470 -0.000 0.000 0.294 234 S C 0.888 175.172 174.600 -0.527 0.000 1.279 234 S CA -0.092 57.341 58.200 -1.279 0.000 1.069 234 S CB 0.774 62.794 63.200 -1.967 0.000 0.828 234 S HN 0.680 nan 8.310 nan 0.000 0.497 235 D N 2.208 122.386 120.400 -0.369 0.000 2.192 235 D HA -0.215 4.425 4.640 -0.000 0.000 0.189 235 D C 1.330 177.528 176.300 -0.169 0.000 1.007 235 D CA 1.786 55.676 54.000 -0.183 0.000 0.859 235 D CB -0.405 40.340 40.800 -0.091 0.000 0.936 235 D HN 0.685 nan 8.370 nan 0.000 0.447 236 F N 1.983 121.718 119.950 -0.358 0.000 2.026 236 F HA -0.187 4.340 4.527 -0.000 0.000 0.296 236 F C 2.324 177.950 175.800 -0.290 0.000 1.133 236 F CA 1.670 59.482 58.000 -0.313 0.000 1.188 236 F CB -0.690 38.124 39.000 -0.309 0.000 0.968 236 F HN -0.081 nan 8.300 nan 0.000 0.476 237 E N 0.088 119.961 120.200 -0.545 0.000 2.197 237 E HA -0.317 4.033 4.350 -0.000 0.000 0.205 237 E C 2.130 178.435 176.600 -0.491 0.000 1.029 237 E CA 2.047 58.091 56.400 -0.594 0.000 0.828 237 E CB -0.148 29.349 29.700 -0.338 0.000 0.737 237 E HN 0.517 nan 8.360 nan 0.000 0.464 238 K N -0.070 120.113 120.400 -0.362 0.000 1.974 238 K HA -0.116 4.204 4.320 -0.000 0.000 0.211 238 K C 2.398 178.785 176.600 -0.355 0.000 1.039 238 K CA 1.444 57.543 56.287 -0.314 0.000 0.947 238 K CB -0.501 31.842 32.500 -0.262 0.000 0.735 238 K HN 0.090 nan 8.250 nan 0.000 0.441 239 V N -0.308 119.373 119.914 -0.388 0.000 2.278 239 V HA -0.296 3.824 4.120 -0.000 0.000 0.251 239 V C 2.271 178.217 176.094 -0.247 0.000 1.062 239 V CA 2.571 64.642 62.300 -0.382 0.000 1.038 239 V CB -1.448 30.195 31.823 -0.301 0.000 0.646 239 V HN 0.448 nan 8.190 nan 0.000 0.447 240 T N -0.403 113.932 114.554 -0.365 0.000 2.881 240 T HA 0.106 4.456 4.350 -0.000 0.000 0.270 240 T C 1.633 176.136 174.700 -0.329 0.000 1.068 240 T CA 2.486 64.349 62.100 -0.394 0.000 1.131 240 T CB -0.779 67.497 68.868 -0.986 0.000 0.871 240 T HN 1.713 nan 8.240 nan 0.000 0.479 241 G N 0.962 109.548 108.800 -0.356 0.000 2.195 241 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.246 241 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.246 241 G C 0.316 175.014 174.900 -0.337 0.000 0.984 241 G CA 0.100 45.040 45.100 -0.266 0.000 0.633 241 G HN 0.605 nan 8.290 nan 0.000 0.525 242 R N 0.608 120.785 120.500 -0.538 0.000 3.247 242 R HA 0.667 5.007 4.340 -0.000 0.000 0.212 242 R C 0.334 176.004 176.300 -1.050 0.000 1.604 242 R CA 0.520 56.101 56.100 -0.865 0.000 1.279 242 R CB 0.012 29.729 30.300 -0.971 0.000 1.277 242 R HN 0.587 nan 8.270 nan 0.000 0.669 243 I N -0.945 119.308 120.570 -0.529 0.000 3.099 243 I HA 0.159 4.329 4.170 -0.000 0.000 0.308 243 I C -1.315 174.821 176.117 0.032 0.000 1.405 243 I CA -1.050 60.135 61.300 -0.191 0.000 0.953 243 I CB 2.397 40.321 38.000 -0.127 0.000 1.324 243 I HN 0.210 nan 8.210 nan 0.000 0.495 244 D N 4.170 124.678 120.400 0.180 0.000 2.479 244 D HA -0.032 4.608 4.640 -0.000 0.000 0.257 244 D C 0.774 177.146 176.300 0.120 0.000 1.230 244 D CA 0.351 54.471 54.000 0.200 0.000 0.912 244 D CB 0.903 41.878 40.800 0.292 0.000 1.130 244 D HN 0.337 nan 8.370 nan 0.000 0.515 245 K N 3.364 123.828 120.400 0.106 0.000 2.520 245 K HA -0.123 4.197 4.320 -0.000 0.000 0.197 245 K C 1.050 177.687 176.600 0.062 0.000 1.043 245 K CA 0.362 56.686 56.287 0.062 0.000 0.944 245 K CB -0.008 32.530 32.500 0.063 0.000 0.770 245 K HN 0.486 nan 8.250 nan 0.000 0.480 246 N N 0.493 119.258 118.700 0.108 0.000 2.376 246 N HA -0.057 4.683 4.740 -0.000 0.000 0.177 246 N C 0.091 175.634 175.510 0.054 0.000 1.024 246 N CA 0.130 53.234 53.050 0.091 0.000 0.893 246 N CB 0.186 38.757 38.487 0.141 0.000 0.980 246 N HN -0.112 nan 8.380 nan 0.000 0.439 247 V N 2.669 122.601 119.914 0.029 0.000 2.625 247 V HA -0.118 4.002 4.120 -0.000 0.000 0.305 247 V C 0.659 176.723 176.094 -0.051 0.000 1.055 247 V CA 0.185 62.451 62.300 -0.057 0.000 1.209 247 V CB -0.016 31.662 31.823 -0.242 0.000 0.877 247 V HN 0.179 nan 8.190 nan 0.000 0.489 248 S N 7.738 123.417 115.700 -0.035 0.000 2.561 248 S HA -0.005 4.465 4.470 -0.000 0.000 0.294 248 S C -1.206 173.375 174.600 -0.032 0.000 1.294 248 S CA -0.505 57.681 58.200 -0.023 0.000 1.055 248 S CB 0.561 63.751 63.200 -0.016 0.000 0.819 248 S HN 0.680 nan 8.310 nan 0.000 0.503 249 P HA -0.194 nan 4.420 nan 0.000 0.212 249 P C 1.663 178.963 177.300 0.000 0.000 1.178 249 P CA 1.039 64.137 63.100 -0.004 0.000 0.915 249 P CB -0.052 31.658 31.700 0.016 0.000 0.788 250 E N 0.135 120.340 120.200 0.007 0.000 2.448 250 E HA -0.177 4.173 4.350 -0.000 0.000 0.203 250 E C 1.337 177.925 176.600 -0.020 0.000 1.046 250 E CA 1.710 58.110 56.400 0.001 0.000 0.871 250 E CB -0.975 28.711 29.700 -0.023 0.000 0.790 250 E HN 0.230 nan 8.360 nan 0.000 0.545 251 A N 0.797 123.598 122.820 -0.031 0.000 2.303 251 A HA 0.211 4.531 4.320 -0.000 0.000 0.217 251 A C 2.009 179.551 177.584 -0.070 0.000 1.205 251 A CA 0.102 52.111 52.037 -0.046 0.000 0.875 251 A CB -0.069 18.900 19.000 -0.052 0.000 0.910 251 A HN 0.054 nan 8.150 nan 0.000 0.501 252 R N 0.292 120.750 120.500 -0.070 0.000 2.328 252 R HA -0.041 4.299 4.340 -0.000 0.000 0.207 252 R C 0.576 176.785 176.300 -0.152 0.000 1.056 252 R CA 0.406 56.430 56.100 -0.127 0.000 1.016 252 R CB -0.693 29.544 30.300 -0.106 0.000 0.872 252 R HN 0.610 nan 8.270 nan 0.000 0.471 253 H N -0.326 118.639 119.070 -0.175 0.000 2.548 253 H HA 0.160 4.716 4.556 -0.000 0.000 0.331 253 H C -1.925 173.302 175.328 -0.169 0.000 1.093 253 H CA -2.481 53.447 56.048 -0.200 0.000 1.367 253 H CB 1.783 31.523 29.762 -0.037 0.000 1.455 253 H HN -0.150 nan 8.280 nan 0.000 0.519 254 P HA -0.098 nan 4.420 nan 0.000 0.222 254 P C 0.780 178.197 177.300 0.194 0.000 1.142 254 P CA 1.235 64.342 63.100 0.012 0.000 0.788 254 P CB 0.215 31.836 31.700 -0.132 0.000 0.767 255 L N -2.680 118.822 121.223 0.465 0.000 2.959 255 L HA 0.186 4.526 4.340 -0.000 0.000 0.259 255 L C 0.002 176.835 176.870 -0.061 0.000 1.185 255 L CA -0.213 54.688 54.840 0.102 0.000 0.998 255 L CB 0.720 42.809 42.059 0.050 0.000 1.337 255 L HN -0.305 nan 8.230 nan 0.000 0.555 256 V N 1.142 121.031 119.914 -0.041 0.000 2.357 256 V HA 0.495 4.615 4.120 -0.000 0.000 0.284 256 V C 0.700 176.771 176.094 -0.039 0.000 1.018 256 V CA -0.914 61.328 62.300 -0.097 0.000 0.841 256 V CB 1.484 33.230 31.823 -0.129 0.000 0.991 256 V HN 0.265 nan 8.190 nan 0.000 0.437 257 A N 4.228 127.010 122.820 -0.064 0.000 2.587 257 A HA 0.441 4.761 4.320 -0.000 0.000 0.235 257 A C 0.864 178.499 177.584 0.086 0.000 1.044 257 A CA 0.737 52.740 52.037 -0.057 0.000 0.754 257 A CB 0.213 19.035 19.000 -0.296 0.000 0.968 257 A HN 1.593 nan 8.150 nan 0.000 0.509 258 A N 3.078 126.010 122.820 0.188 0.000 3.113 258 A HA 0.553 4.873 4.320 -0.000 0.000 0.307 258 A C -0.079 177.795 177.584 0.484 0.000 1.025 258 A CA -0.513 51.670 52.037 0.245 0.000 1.012 258 A CB -0.488 18.556 19.000 0.073 0.000 1.085 258 A HN 1.045 nan 8.150 nan 0.000 0.519 259 Y N -1.758 118.608 120.300 0.111 0.000 2.496 259 Y HA 0.845 5.395 4.550 -0.000 0.000 0.331 259 Y C -3.104 172.635 175.900 -0.268 0.000 1.140 259 Y CA -3.347 54.696 58.100 -0.096 0.000 1.166 259 Y CB 1.209 39.657 38.460 -0.019 0.000 1.249 259 Y HN 0.078 nan 8.280 nan 0.000 0.479 260 P HA 0.418 nan 4.420 nan 0.000 0.286 260 P C -1.052 176.020 177.300 -0.381 0.000 1.261 260 P CA -0.309 62.507 63.100 -0.474 0.000 0.821 260 P CB 1.497 32.902 31.700 -0.491 0.000 1.013 261 I N 1.993 122.361 120.570 -0.336 0.000 2.529 261 I HA 0.324 4.494 4.170 -0.000 0.000 0.284 261 I C -0.829 175.174 176.117 -0.190 0.000 1.088 261 I CA -0.876 60.282 61.300 -0.238 0.000 1.062 261 I CB 2.064 39.864 38.000 -0.333 0.000 1.218 261 I HN 0.061 nan 8.210 nan 0.000 0.442 262 V N 7.207 127.021 119.914 -0.167 0.000 2.680 262 V HA 0.670 4.790 4.120 -0.000 0.000 0.309 262 V C -1.154 174.911 176.094 -0.048 0.000 1.052 262 V CA -0.058 62.111 62.300 -0.218 0.000 0.908 262 V CB 2.017 33.600 31.823 -0.401 0.000 1.001 262 V HN 0.887 nan 8.190 nan 0.000 0.431 263 H N 3.355 122.381 119.070 -0.072 0.000 2.946 263 H HA 0.815 5.371 4.556 -0.000 0.000 0.365 263 H C -1.582 173.730 175.328 -0.027 0.000 1.197 263 H CA -1.064 54.965 56.048 -0.032 0.000 1.131 263 H CB 1.774 31.507 29.762 -0.049 0.000 1.849 263 H HN 0.447 nan 8.280 nan 0.000 0.555 264 V N 1.764 121.787 119.914 0.183 0.000 2.427 264 V HA 0.240 4.360 4.120 -0.000 0.000 0.286 264 V C -0.331 175.834 176.094 0.117 0.000 1.034 264 V CA -0.524 61.789 62.300 0.022 0.000 0.893 264 V CB 1.153 32.939 31.823 -0.062 0.000 0.982 264 V HN 0.886 nan 8.190 nan 0.000 0.452 265 D N 4.445 124.854 120.400 0.015 0.000 2.217 265 D HA 0.430 5.070 4.640 -0.000 0.000 0.243 265 D C -0.565 175.746 176.300 0.019 0.000 1.054 265 D CA -0.493 53.559 54.000 0.087 0.000 0.838 265 D CB 1.765 42.658 40.800 0.156 0.000 1.162 265 D HN 0.531 nan 8.370 nan 0.000 0.472 266 M N 4.245 123.860 119.600 0.025 0.000 2.043 266 M HA 0.242 4.722 4.480 -0.000 0.000 0.322 266 M C 0.459 176.768 176.300 0.015 0.000 0.962 266 M CA -0.353 54.946 55.300 -0.001 0.000 0.927 266 M CB 0.959 33.553 32.600 -0.010 0.000 1.466 266 M HN 0.369 nan 8.290 nan 0.000 0.412 267 E N 2.619 122.827 120.200 0.012 0.000 2.047 267 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 267 E C -0.414 176.188 176.600 0.004 0.000 0.987 267 E CA 1.053 57.461 56.400 0.013 0.000 0.799 267 E CB 0.137 29.840 29.700 0.005 0.000 0.752 267 E HN 0.824 nan 8.360 nan 0.000 0.449 268 N N -0.334 118.362 118.700 -0.007 0.000 2.504 268 N HA 0.297 5.037 4.740 -0.000 0.000 0.268 268 N C -0.889 174.606 175.510 -0.025 0.000 1.184 268 N CA -0.728 52.315 53.050 -0.012 0.000 0.875 268 N CB 0.943 39.423 38.487 -0.013 0.000 1.630 268 N HN 0.027 nan 8.380 nan 0.000 0.486 269 I N -2.026 118.522 120.570 -0.038 0.000 3.100 269 I HA 0.740 4.910 4.170 -0.000 0.000 0.312 269 I C -0.773 175.299 176.117 -0.075 0.000 1.063 269 I CA -1.348 59.919 61.300 -0.056 0.000 1.031 269 I CB 2.053 40.009 38.000 -0.072 0.000 1.243 269 I HN 0.635 nan 8.210 nan 0.000 0.483 270 I N 3.294 123.815 120.570 -0.082 0.000 2.590 270 I HA 0.368 4.538 4.170 -0.000 0.000 0.283 270 I C -1.640 174.423 176.117 -0.091 0.000 1.154 270 I CA -0.416 60.831 61.300 -0.088 0.000 1.067 270 I CB 1.255 39.223 38.000 -0.053 0.000 1.243 270 I HN 0.565 nan 8.210 nan 0.000 0.451 271 L N 7.033 128.171 121.223 -0.142 0.000 2.292 271 L HA 0.610 4.950 4.340 -0.000 0.000 0.284 271 L C 0.041 176.899 176.870 -0.021 0.000 1.065 271 L CA -0.212 54.575 54.840 -0.088 0.000 0.806 271 L CB 1.637 43.577 42.059 -0.198 0.000 1.175 271 L HN 0.688 nan 8.230 nan 0.000 0.431 272 S N 1.135 116.853 115.700 0.030 0.000 2.579 272 S HA 0.465 4.935 4.470 -0.000 0.000 0.272 272 S C -1.010 173.603 174.600 0.021 0.000 1.141 272 S CA -1.245 56.967 58.200 0.020 0.000 0.843 272 S CB 1.794 64.994 63.200 0.001 0.000 1.122 272 S HN 0.591 nan 8.310 nan 0.000 0.468 273 K N 1.502 121.898 120.400 -0.007 0.000 2.383 273 K HA 0.193 4.513 4.320 -0.000 0.000 0.286 273 K C -0.099 176.493 176.600 -0.013 0.000 1.051 273 K CA -0.533 55.737 56.287 -0.029 0.000 0.974 273 K CB 0.232 32.706 32.500 -0.043 0.000 0.968 273 K HN 0.542 nan 8.250 nan 0.000 0.475 274 N N 3.396 122.092 118.700 -0.007 0.000 2.359 274 N HA -0.127 4.613 4.740 -0.000 0.000 0.261 274 N C -0.139 175.367 175.510 -0.006 0.000 1.267 274 N CA 0.461 53.511 53.050 -0.000 0.000 0.864 274 N CB 0.526 39.016 38.487 0.005 0.000 1.063 274 N HN 0.861 nan 8.380 nan 0.000 0.474 284 S N 0.645 116.344 115.700 -0.001 0.000 2.416 284 S HA 0.434 4.904 4.470 -0.000 0.000 0.287 284 S C 0.641 175.240 174.600 -0.000 0.000 1.139 284 S CA 0.186 58.386 58.200 -0.001 0.000 1.058 284 S CB 0.899 64.098 63.200 -0.003 0.000 0.967 284 S HN 0.200 nan 8.310 nan 0.000 0.495 285 Q N 2.098 121.899 119.800 0.001 0.000 2.427 285 Q HA 0.065 4.405 4.340 -0.000 0.000 0.249 285 Q C 1.324 177.326 176.000 0.003 0.000 0.783 285 Q CA 0.462 56.266 55.803 0.001 0.000 0.978 285 Q CB 0.386 29.124 28.738 0.001 0.000 1.273 285 Q HN 0.813 nan 8.270 nan 0.000 0.524 286 T N -1.732 112.826 114.554 0.007 0.000 3.054 286 T HA 0.205 4.555 4.350 -0.000 0.000 0.255 286 T C 1.099 175.810 174.700 0.018 0.000 1.035 286 T CA -0.389 61.719 62.100 0.013 0.000 0.941 286 T CB 0.230 69.108 68.868 0.016 0.000 1.026 286 T HN -0.068 nan 8.240 nan 0.000 0.533 287 R N 2.815 123.323 120.500 0.013 0.000 2.423 287 R HA 0.190 4.530 4.340 -0.000 0.000 0.248 287 R C 0.469 176.777 176.300 0.014 0.000 1.019 287 R CA 0.108 56.218 56.100 0.017 0.000 1.119 287 R CB -1.035 29.270 30.300 0.007 0.000 1.176 287 R HN 0.682 nan 8.270 nan 0.000 0.526 288 T N -1.797 112.761 114.554 0.008 0.000 2.848 288 T HA 0.629 4.979 4.350 -0.000 0.000 0.285 288 T C 0.313 174.999 174.700 -0.025 0.000 0.995 288 T CA -0.980 61.115 62.100 -0.008 0.000 0.970 288 T CB 1.732 70.592 68.868 -0.013 0.000 0.976 288 T HN 0.215 nan 8.240 nan 0.000 0.441 289 I N 0.131 120.658 120.570 -0.072 0.000 2.392 289 I HA 0.780 4.950 4.170 -0.000 0.000 0.295 289 I C -0.183 175.847 176.117 -0.144 0.000 0.985 289 I CA -0.635 60.588 61.300 -0.128 0.000 1.221 289 I CB 1.880 39.688 38.000 -0.321 0.000 1.366 289 I HN 0.653 nan 8.210 nan 0.000 0.467 290 S N 5.568 121.212 115.700 -0.093 0.000 2.652 290 S HA 0.431 4.901 4.470 -0.000 0.000 0.252 290 S C -0.637 173.935 174.600 -0.046 0.000 1.219 290 S CA -0.788 57.367 58.200 -0.075 0.000 1.151 290 S CB 0.270 63.444 63.200 -0.044 0.000 1.080 290 S HN 0.598 nan 8.310 nan 0.000 0.481 291 K N 2.790 123.156 120.400 -0.055 0.000 2.166 291 K HA 0.508 4.828 4.320 -0.000 0.000 0.245 291 K C -0.191 176.411 176.600 0.003 0.000 0.967 291 K CA -0.816 55.472 56.287 0.002 0.000 0.863 291 K CB 0.773 33.303 32.500 0.050 0.000 1.107 291 K HN 0.526 nan 8.250 nan 0.000 0.436 292 N N 0.016 118.731 118.700 0.025 0.000 2.413 292 N HA 0.369 5.109 4.740 -0.000 0.000 0.266 292 N C -0.506 175.024 175.510 0.033 0.000 1.238 292 N CA -0.156 52.906 53.050 0.021 0.000 0.972 292 N CB 0.715 39.216 38.487 0.023 0.000 1.210 292 N HN 0.598 nan 8.380 nan 0.000 0.547 293 T N -3.712 110.858 114.554 0.027 0.000 2.883 293 T HA 0.660 5.010 4.350 -0.000 0.000 0.301 293 T C -1.096 173.622 174.700 0.030 0.000 1.158 293 T CA -0.924 61.195 62.100 0.031 0.000 1.007 293 T CB 1.130 70.010 68.868 0.020 0.000 1.186 293 T HN 0.168 nan 8.240 nan 0.000 0.499 294 S N 1.600 117.318 115.700 0.030 0.000 2.669 294 S HA 0.613 5.083 4.470 -0.000 0.000 0.315 294 S C -0.183 174.428 174.600 0.019 0.000 1.106 294 S CA -0.714 57.502 58.200 0.026 0.000 1.107 294 S CB 1.085 64.296 63.200 0.019 0.000 0.990 294 S HN 0.854 nan 8.310 nan 0.000 0.471 295 T N 2.607 117.180 114.554 0.031 0.000 2.934 295 T HA 0.775 5.125 4.350 -0.000 0.000 0.283 295 T C -0.177 174.522 174.700 -0.002 0.000 1.005 295 T CA -0.823 61.289 62.100 0.021 0.000 1.041 295 T CB 1.265 70.166 68.868 0.055 0.000 1.042 295 T HN 0.650 nan 8.240 nan 0.000 0.505 296 S N 0.763 116.421 115.700 -0.070 0.000 2.586 296 S HA 0.417 4.887 4.470 -0.000 0.000 0.296 296 S C -0.761 173.688 174.600 -0.251 0.000 1.120 296 S CA -1.148 56.968 58.200 -0.140 0.000 0.927 296 S CB 0.912 64.064 63.200 -0.079 0.000 1.114 296 S HN 0.692 nan 8.310 nan 0.000 0.453 297 R N 1.126 121.351 120.500 -0.459 0.000 2.740 297 R HA 0.336 4.676 4.340 -0.000 0.000 0.263 297 R C 0.870 177.059 176.300 -0.185 0.000 0.997 297 R CA 1.367 57.213 56.100 -0.423 0.000 1.108 297 R CB 0.254 30.310 30.300 -0.407 0.000 0.969 297 R HN 0.923 nan 8.270 nan 0.000 0.431 298 T N -1.700 112.792 114.554 -0.103 0.000 2.724 298 T HA 0.311 4.661 4.350 -0.000 0.000 0.274 298 T C -0.442 174.300 174.700 0.069 0.000 0.984 298 T CA -0.610 61.475 62.100 -0.025 0.000 1.024 298 T CB 1.608 70.468 68.868 -0.013 0.000 1.320 298 T HN 0.781 nan 8.240 nan 0.000 0.555 299 H N -0.029 119.007 119.070 -0.057 0.000 3.757 299 H HA 0.262 4.818 4.556 -0.000 0.000 0.214 299 H C -0.024 175.328 175.328 0.041 0.000 1.275 299 H CA 0.285 56.306 56.048 -0.046 0.000 1.205 299 H CB -0.599 29.068 29.762 -0.157 0.000 2.906 299 H HN 1.081 nan 8.280 nan 0.000 0.550 300 T N -1.301 113.250 114.554 -0.005 0.000 2.723 300 T HA -0.004 4.346 4.350 -0.000 0.000 0.260 300 T C 0.848 175.563 174.700 0.026 0.000 1.019 300 T CA 1.009 63.116 62.100 0.011 0.000 1.155 300 T CB 0.891 69.760 68.868 0.003 0.000 1.024 300 T HN 0.359 nan 8.240 nan 0.000 0.491 301 S N 2.218 117.969 115.700 0.084 0.000 2.561 301 S HA 0.403 4.873 4.470 -0.000 0.000 0.282 301 S C 0.239 174.856 174.600 0.030 0.000 1.123 301 S CA -0.928 57.336 58.200 0.108 0.000 1.011 301 S CB 0.758 64.067 63.200 0.182 0.000 1.244 301 S HN 0.864 nan 8.310 nan 0.000 0.503 302 E N 0.103 120.312 120.200 0.015 0.000 2.322 302 E HA 0.374 4.723 4.350 -0.000 0.000 0.257 302 E C 0.219 176.840 176.600 0.035 0.000 1.155 302 E CA -0.688 55.717 56.400 0.007 0.000 0.936 302 E CB 0.909 30.616 29.700 0.012 0.000 1.130 302 E HN 0.486 nan 8.360 nan 0.000 0.465 303 V N -1.727 118.191 119.914 0.007 0.000 3.894 303 V HA 0.059 4.179 4.120 -0.000 0.000 0.268 303 V C 1.118 177.308 176.094 0.159 0.000 0.956 303 V CA 0.181 62.492 62.300 0.018 0.000 0.843 303 V CB -0.077 31.686 31.823 -0.101 0.000 1.198 303 V HN 0.733 nan 8.190 nan 0.000 0.393 304 H N 0.412 119.475 119.070 -0.012 0.000 2.287 304 H HA 0.411 4.967 4.556 -0.000 0.000 0.309 304 H C 1.295 176.626 175.328 0.005 0.000 1.059 304 H CA 0.569 56.617 56.048 0.000 0.000 1.357 304 H CB 0.216 29.977 29.762 -0.002 0.000 1.409 304 H HN 0.919 nan 8.280 nan 0.000 0.515 305 G N 0.147 109.026 108.800 0.131 0.000 3.643 305 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.232 305 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.232 305 G C -0.316 174.611 174.900 0.045 0.000 3.381 305 G CA 0.061 45.206 45.100 0.075 0.000 0.783 305 G HN 0.545 nan 8.290 nan 0.000 0.357 306 N N -1.365 117.335 118.700 0.001 0.000 1.863 306 N HA 0.121 4.861 4.740 -0.000 0.000 0.241 306 N C 0.819 176.297 175.510 -0.053 0.000 1.395 306 N CA 0.480 53.522 53.050 -0.012 0.000 0.765 306 N CB 0.013 38.499 38.487 -0.000 0.000 1.120 306 N HN 0.929 nan 8.380 nan 0.000 0.510 307 A N 2.120 124.884 122.820 -0.093 0.000 2.526 307 A HA 0.090 4.410 4.320 -0.000 0.000 0.267 307 A C 0.271 177.776 177.584 -0.133 0.000 1.095 307 A CA 0.174 52.139 52.037 -0.121 0.000 0.775 307 A CB -0.562 18.344 19.000 -0.156 0.000 1.036 307 A HN 0.285 nan 8.150 nan 0.000 0.510 308 E N 1.662 121.808 120.200 -0.089 0.000 2.406 308 E HA 0.176 4.526 4.350 -0.000 0.000 0.247 308 E C 0.118 176.661 176.600 -0.096 0.000 1.160 308 E CA 0.046 56.403 56.400 -0.072 0.000 0.950 308 E CB -0.094 29.584 29.700 -0.036 0.000 0.993 308 E HN 0.557 nan 8.360 nan 0.000 0.472 309 V N 1.559 121.370 119.914 -0.170 0.000 2.483 309 V HA 0.237 4.357 4.120 -0.000 0.000 0.295 309 V C 0.491 176.517 176.094 -0.113 0.000 1.035 309 V CA -1.230 60.941 62.300 -0.214 0.000 0.896 309 V CB 1.236 32.655 31.823 -0.673 0.000 0.986 309 V HN 0.630 nan 8.190 nan 0.000 0.447 310 H N 3.675 122.689 119.070 -0.094 0.000 3.073 310 H HA 0.146 4.702 4.556 -0.000 0.000 0.340 310 H C 1.361 176.695 175.328 0.011 0.000 1.054 310 H CA 0.268 56.300 56.048 -0.027 0.000 1.372 310 H CB 0.527 30.280 29.762 -0.015 0.000 1.314 310 H HN 0.955 nan 8.280 nan 0.000 0.603 311 A N 2.928 125.787 122.820 0.066 0.000 2.042 311 A HA -0.199 4.121 4.320 -0.000 0.000 0.222 311 A C 2.100 179.687 177.584 0.004 0.000 1.167 311 A CA 1.677 53.749 52.037 0.058 0.000 0.649 311 A CB -0.807 18.248 19.000 0.092 0.000 0.809 311 A HN 0.720 nan 8.150 nan 0.000 0.457 312 S N -1.162 114.522 115.700 -0.026 0.000 2.881 312 S HA 0.100 4.570 4.470 -0.000 0.000 0.228 312 S C 0.833 175.316 174.600 -0.195 0.000 0.965 312 S CA 0.207 58.389 58.200 -0.030 0.000 0.998 312 S CB -0.561 62.735 63.200 0.161 0.000 0.795 312 S HN 0.612 nan 8.310 nan 0.000 0.518 313 F N 0.592 120.241 119.950 -0.502 0.000 2.446 313 F HA 0.338 4.865 4.527 -0.000 0.000 0.292 313 F C 0.442 175.929 175.800 -0.522 0.000 1.096 313 F CA -0.033 57.587 58.000 -0.633 0.000 1.438 313 F CB 0.139 38.605 39.000 -0.890 0.000 1.107 313 F HN 0.166 nan 8.300 nan 0.000 0.546 314 F N 1.423 121.254 119.950 -0.198 0.000 2.898 314 F HA 0.243 4.770 4.527 -0.000 0.000 0.290 314 F C 0.272 175.972 175.800 -0.166 0.000 1.195 314 F CA -0.819 57.034 58.000 -0.245 0.000 1.387 314 F CB -0.908 38.032 39.000 -0.100 0.000 0.976 314 F HN -0.155 nan 8.300 nan 0.000 0.510 315 D N -0.329 120.036 120.400 -0.058 0.000 2.569 315 D HA 0.391 5.031 4.640 -0.000 0.000 0.266 315 D C 0.308 176.573 176.300 -0.059 0.000 1.164 315 D CA -0.470 53.512 54.000 -0.029 0.000 1.071 315 D CB 1.945 42.733 40.800 -0.019 0.000 1.183 315 D HN -0.106 nan 8.370 nan 0.000 0.613 316 I N 0.948 121.497 120.570 -0.035 0.000 2.363 316 I HA 0.170 4.340 4.170 -0.000 0.000 0.292 316 I C 1.515 177.610 176.117 -0.037 0.000 1.075 316 I CA 0.266 61.544 61.300 -0.037 0.000 1.333 316 I CB 0.436 38.423 38.000 -0.021 0.000 1.415 316 I HN 0.699 nan 8.210 nan 0.000 0.502 317 G N 4.737 113.506 108.800 -0.050 0.000 2.480 317 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.246 317 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.246 317 G C 0.814 175.691 174.900 -0.037 0.000 1.073 317 G CA 0.113 45.191 45.100 -0.037 0.000 0.643 317 G HN 0.900 nan 8.290 nan 0.000 0.525 318 G N -0.555 108.222 108.800 -0.039 0.000 2.346 318 G HA2 0.520 4.480 3.960 -0.000 0.000 0.275 318 G HA3 0.520 4.480 3.960 -0.000 0.000 0.275 318 G C 1.078 175.948 174.900 -0.050 0.000 1.190 318 G CA 1.161 46.249 45.100 -0.020 0.000 1.015 318 G HN 1.477 nan 8.290 nan 0.000 0.441 319 S N 0.274 115.986 115.700 0.021 0.000 2.723 319 S HA -0.241 4.229 4.470 -0.000 0.000 0.261 319 S C 1.151 175.755 174.600 0.007 0.000 1.294 319 S CA 1.058 59.302 58.200 0.073 0.000 1.467 319 S CB -1.199 62.051 63.200 0.083 0.000 1.849 319 S HN 0.806 nan 8.310 nan 0.000 0.672 320 V N 3.525 123.351 119.914 -0.146 0.000 2.070 320 V HA 0.082 4.202 4.120 -0.000 0.000 0.239 320 V C 1.503 177.546 176.094 -0.084 0.000 1.472 320 V CA 0.807 62.972 62.300 -0.224 0.000 1.453 320 V CB -0.226 31.452 31.823 -0.242 0.000 1.503 320 V HN 0.740 nan 8.190 nan 0.000 0.501 321 S N 2.110 117.803 115.700 -0.011 0.000 2.595 321 S HA 0.072 4.542 4.470 -0.000 0.000 0.235 321 S C 1.533 176.100 174.600 -0.056 0.000 0.974 321 S CA 0.365 58.562 58.200 -0.005 0.000 0.942 321 S CB -0.329 62.887 63.200 0.026 0.000 0.766 321 S HN 1.686 nan 8.310 nan 0.000 0.536 322 A N -0.024 122.743 122.820 -0.089 0.000 2.832 322 A HA 0.039 4.359 4.320 -0.000 0.000 0.280 322 A C 1.816 179.203 177.584 -0.328 0.000 1.464 322 A CA 1.193 53.138 52.037 -0.154 0.000 0.804 322 A CB -2.181 16.751 19.000 -0.114 0.000 1.020 322 A HN 2.117 nan 8.150 nan 0.000 0.563 323 G N -2.428 106.217 108.800 -0.259 0.000 3.909 323 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.218 323 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.218 323 G C 0.156 174.856 174.900 -0.333 0.000 1.404 323 G CA 0.768 45.629 45.100 -0.398 0.000 0.905 323 G HN 2.253 nan 8.290 nan 0.000 0.589 324 F N 0.804 120.708 119.950 -0.078 0.000 2.591 324 F HA 0.884 5.411 4.527 -0.000 0.000 0.309 324 F C 0.009 175.774 175.800 -0.058 0.000 1.098 324 F CA -0.935 56.948 58.000 -0.195 0.000 0.937 324 F CB 1.342 39.976 39.000 -0.609 0.000 1.250 324 F HN 0.870 nan 8.300 nan 0.000 0.447 325 S N 0.463 116.286 115.700 0.204 0.000 2.911 325 S HA 0.557 5.027 4.470 -0.000 0.000 0.319 325 S C -1.275 173.430 174.600 0.174 0.000 1.154 325 S CA -1.211 57.102 58.200 0.189 0.000 0.857 325 S CB 1.079 64.343 63.200 0.107 0.000 1.279 325 S HN 0.606 nan 8.310 nan 0.000 0.593 326 N N 1.679 120.463 118.700 0.139 0.000 2.420 326 N HA 0.472 5.212 4.740 -0.000 0.000 0.262 326 N C -0.831 174.738 175.510 0.098 0.000 1.144 326 N CA 0.332 53.458 53.050 0.127 0.000 0.952 326 N CB 0.964 39.518 38.487 0.111 0.000 1.081 326 N HN 0.653 nan 8.380 nan 0.000 0.480 327 S N 2.366 118.126 115.700 0.100 0.000 2.799 327 S HA 0.037 4.507 4.470 -0.000 0.000 0.303 327 S C -1.844 172.808 174.600 0.086 0.000 0.835 327 S CA -0.876 57.373 58.200 0.081 0.000 0.783 327 S CB 0.127 63.367 63.200 0.067 0.000 0.985 327 S HN 0.444 nan 8.310 nan 0.000 0.507 328 N N 2.570 121.321 118.700 0.085 0.000 2.444 328 N HA 0.394 5.134 4.740 -0.000 0.000 0.271 328 N C -0.896 174.657 175.510 0.072 0.000 1.069 328 N CA -0.103 52.998 53.050 0.086 0.000 0.965 328 N CB 1.677 40.229 38.487 0.109 0.000 1.092 328 N HN 0.476 nan 8.380 nan 0.000 0.476 329 S N 0.999 116.728 115.700 0.050 0.000 2.721 329 S HA 0.282 4.752 4.470 -0.000 0.000 0.264 329 S C -0.254 174.341 174.600 -0.007 0.000 1.161 329 S CA -0.768 57.450 58.200 0.031 0.000 1.113 329 S CB -0.016 63.200 63.200 0.027 0.000 1.079 329 S HN 0.521 nan 8.310 nan 0.000 0.479 330 S N 3.309 119.002 115.700 -0.011 0.000 2.681 330 S HA 0.809 5.279 4.470 -0.000 0.000 0.270 330 S C -0.171 174.407 174.600 -0.037 0.000 1.209 330 S CA -0.480 57.678 58.200 -0.070 0.000 0.988 330 S CB 1.320 64.501 63.200 -0.031 0.000 1.006 330 S HN 0.612 nan 8.310 nan 0.000 0.558 331 T N 0.839 115.364 114.554 -0.048 0.000 3.071 331 T HA 0.540 4.890 4.350 -0.000 0.000 0.311 331 T C -0.457 174.232 174.700 -0.018 0.000 1.042 331 T CA -0.670 61.415 62.100 -0.025 0.000 1.028 331 T CB 1.235 70.088 68.868 -0.024 0.000 1.068 331 T HN 1.008 nan 8.240 nan 0.000 0.451 332 V N 0.503 120.413 119.914 -0.005 0.000 2.975 332 V HA 1.070 5.190 4.120 -0.000 0.000 0.318 332 V C -0.346 175.751 176.094 0.005 0.000 1.077 332 V CA -1.103 61.198 62.300 0.003 0.000 1.000 332 V CB 1.462 33.289 31.823 0.007 0.000 1.066 332 V HN 1.126 nan 8.190 nan 0.000 0.452 333 A N 3.298 126.127 122.820 0.014 0.000 2.422 333 A HA 0.843 5.163 4.320 -0.000 0.000 0.302 333 A C -0.771 176.842 177.584 0.048 0.000 1.041 333 A CA -0.757 51.293 52.037 0.021 0.000 0.708 333 A CB 1.241 20.245 19.000 0.006 0.000 1.257 333 A HN 0.909 nan 8.150 nan 0.000 0.414 334 I N 2.061 122.678 120.570 0.078 0.000 2.342 334 I HA 0.139 4.309 4.170 -0.000 0.000 0.291 334 I C 0.249 176.470 176.117 0.172 0.000 1.010 334 I CA -0.561 60.810 61.300 0.119 0.000 1.308 334 I CB 1.195 39.298 38.000 0.170 0.000 1.400 334 I HN 0.690 nan 8.210 nan 0.000 0.488 335 D N 7.025 127.521 120.400 0.160 0.000 2.554 335 D HA -0.171 4.469 4.640 -0.000 0.000 0.251 335 D C 1.281 177.742 176.300 0.268 0.000 1.213 335 D CA 0.357 54.475 54.000 0.198 0.000 0.900 335 D CB 0.619 41.495 40.800 0.126 0.000 1.135 335 D HN 0.609 nan 8.370 nan 0.000 0.522 336 H N 1.808 120.953 119.070 0.124 0.000 2.551 336 H HA 0.086 4.642 4.556 -0.000 0.000 0.266 336 H C 0.367 175.804 175.328 0.180 0.000 0.977 336 H CA -0.348 55.788 56.048 0.147 0.000 1.163 336 H CB -0.106 29.711 29.762 0.091 0.000 1.381 336 H HN 0.058 nan 8.280 nan 0.000 0.581 337 S N 0.451 115.994 115.700 -0.263 0.000 2.618 337 S HA 0.286 4.756 4.470 -0.000 0.000 0.254 337 S C 0.833 175.420 174.600 -0.022 0.000 1.284 337 S CA -0.538 57.525 58.200 -0.229 0.000 0.975 337 S CB 0.567 63.697 63.200 -0.117 0.000 1.022 337 S HN 0.215 nan 8.310 nan 0.000 0.571 338 L N 0.199 121.435 121.223 0.022 0.000 2.387 338 L HA 0.473 4.813 4.340 -0.000 0.000 0.266 338 L C 1.135 178.053 176.870 0.080 0.000 1.059 338 L CA -0.207 54.673 54.840 0.066 0.000 0.801 338 L CB 1.420 43.530 42.059 0.085 0.000 1.223 338 L HN 0.653 nan 8.230 nan 0.000 0.456 339 S N -0.343 115.406 115.700 0.082 0.000 2.769 339 S HA 0.411 4.881 4.470 -0.000 0.000 0.258 339 S C 0.372 175.002 174.600 0.049 0.000 1.080 339 S CA -0.271 57.965 58.200 0.061 0.000 0.943 339 S CB 0.461 63.700 63.200 0.065 0.000 0.893 339 S HN 0.429 nan 8.310 nan 0.000 0.490 340 L N -0.104 121.155 121.223 0.061 0.000 2.606 340 L HA 0.757 5.097 4.340 -0.000 0.000 0.255 340 L C 1.413 178.315 176.870 0.053 0.000 1.501 340 L CA -0.453 54.416 54.840 0.049 0.000 1.593 340 L CB 0.161 42.252 42.059 0.053 0.000 2.049 340 L HN 0.189 nan 8.230 nan 0.000 0.576 341 A N 0.030 122.877 122.820 0.045 0.000 3.470 341 A HA 0.212 4.532 4.320 -0.000 0.000 0.174 341 A C 1.311 178.918 177.584 0.037 0.000 1.652 341 A CA 0.755 52.818 52.037 0.043 0.000 0.777 341 A CB -1.441 17.579 19.000 0.033 0.000 1.128 341 A HN 0.762 nan 8.150 nan 0.000 0.452 342 G N 0.790 109.605 108.800 0.026 0.000 3.374 342 G HA2 0.345 4.305 3.960 -0.000 0.000 0.252 342 G HA3 0.345 4.305 3.960 -0.000 0.000 0.252 342 G C 0.302 175.211 174.900 0.016 0.000 1.326 342 G CA 0.339 45.444 45.100 0.010 0.000 1.133 342 G HN 0.790 nan 8.290 nan 0.000 0.528 343 E N -0.241 119.980 120.200 0.035 0.000 2.492 343 E HA 0.150 4.500 4.350 -0.000 0.000 0.266 343 E C 0.023 176.650 176.600 0.044 0.000 1.047 343 E CA -0.123 56.313 56.400 0.061 0.000 0.968 343 E CB 0.716 30.474 29.700 0.098 0.000 0.960 343 E HN 0.233 nan 8.360 nan 0.000 0.452 344 R N 1.223 121.765 120.500 0.071 0.000 2.560 344 R HA 0.136 4.476 4.340 -0.000 0.000 0.267 344 R C -1.573 174.775 176.300 0.080 0.000 1.150 344 R CA -0.057 56.073 56.100 0.051 0.000 0.997 344 R CB 1.549 31.868 30.300 0.031 0.000 1.250 344 R HN 0.747 nan 8.270 nan 0.000 0.433 345 T N 4.379 118.961 114.554 0.047 0.000 1.247 345 T HA -0.133 4.217 4.350 -0.000 0.000 0.692 345 T C 0.948 175.777 174.700 0.215 0.000 0.971 345 T CA 0.969 63.101 62.100 0.053 0.000 3.665 345 T CB -0.394 68.519 68.868 0.076 0.000 2.085 345 T HN 0.649 nan 8.240 nan 0.000 0.386 346 W N 1.837 123.236 121.300 0.166 0.000 2.276 346 W HA -0.249 4.411 4.660 -0.000 0.000 0.307 346 W C 2.391 179.066 176.519 0.260 0.000 1.240 346 W CA 1.198 58.687 57.345 0.239 0.000 1.249 346 W CB -1.662 27.991 29.460 0.321 0.000 1.140 346 W HN 0.994 nan 8.180 nan 0.000 0.519 347 A N 0.648 123.752 122.820 0.473 0.000 1.862 347 A HA -0.311 4.009 4.320 -0.000 0.000 0.217 347 A C 1.896 179.595 177.584 0.191 0.000 1.251 347 A CA 2.520 54.731 52.037 0.290 0.000 0.673 347 A CB -1.291 17.869 19.000 0.267 0.000 0.843 347 A HN 0.412 nan 8.150 nan 0.000 0.458 348 E N -1.148 119.149 120.200 0.162 0.000 2.233 348 E HA -0.178 4.172 4.350 -0.000 0.000 0.199 348 E C 2.079 178.747 176.600 0.112 0.000 1.004 348 E CA 1.565 58.032 56.400 0.112 0.000 0.819 348 E CB -0.468 29.288 29.700 0.094 0.000 0.738 348 E HN 0.712 nan 8.360 nan 0.000 0.478 349 T N 0.790 115.440 114.554 0.161 0.000 2.674 349 T HA -0.147 4.203 4.350 -0.000 0.000 0.265 349 T C 1.904 176.672 174.700 0.113 0.000 1.039 349 T CA 1.283 63.474 62.100 0.153 0.000 1.150 349 T CB -0.071 68.935 68.868 0.232 0.000 0.864 349 T HN 0.136 nan 8.240 nan 0.000 0.427 350 M N -0.199 119.474 119.600 0.122 0.000 2.276 350 M HA 0.254 4.734 4.480 -0.000 0.000 0.262 350 M C 1.430 177.742 176.300 0.020 0.000 1.098 350 M CA 1.063 56.397 55.300 0.057 0.000 1.167 350 M CB 0.381 33.003 32.600 0.037 0.000 1.337 350 M HN 0.471 nan 8.290 nan 0.000 0.446 351 G N 1.800 110.609 108.800 0.016 0.000 2.618 351 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.180 351 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.180 351 G C -0.686 174.186 174.900 -0.045 0.000 1.092 351 G CA -0.697 44.401 45.100 -0.004 0.000 0.856 351 G HN 0.261 nan 8.290 nan 0.000 0.496 352 L N 0.939 122.129 121.223 -0.054 0.000 2.282 352 L HA 0.533 4.873 4.340 -0.000 0.000 0.288 352 L C -0.153 176.648 176.870 -0.114 0.000 1.033 352 L CA -1.008 53.777 54.840 -0.091 0.000 0.807 352 L CB 1.242 43.174 42.059 -0.212 0.000 1.209 352 L HN 0.177 nan 8.230 nan 0.000 0.423 353 N N 1.002 119.531 118.700 -0.286 0.000 2.335 353 N HA 0.278 5.018 4.740 -0.000 0.000 0.304 353 N C 0.816 175.900 175.510 -0.711 0.000 1.135 353 N CA -0.488 52.249 53.050 -0.522 0.000 0.817 353 N CB 1.976 40.302 38.487 -0.268 0.000 1.294 353 N HN 0.477 nan 8.380 nan 0.000 0.497 354 T N 1.381 115.369 114.554 -0.944 0.000 2.719 354 T HA -0.290 4.060 4.350 -0.000 0.000 0.254 354 T C 1.124 175.686 174.700 -0.229 0.000 1.106 354 T CA 2.352 64.116 62.100 -0.560 0.000 1.146 354 T CB -0.302 68.404 68.868 -0.269 0.000 0.839 354 T HN 0.730 nan 8.240 nan 0.000 0.473 355 A N 2.013 124.725 122.820 -0.180 0.000 3.105 355 A HA 0.348 4.668 4.320 -0.000 0.000 0.272 355 A C -0.030 177.508 177.584 -0.077 0.000 1.466 355 A CA -0.348 51.635 52.037 -0.090 0.000 1.101 355 A CB 0.008 18.966 19.000 -0.071 0.000 1.065 355 A HN 0.348 nan 8.150 nan 0.000 0.643 356 D N -0.036 120.320 120.400 -0.073 0.000 2.547 356 D HA 0.522 5.162 4.640 -0.000 0.000 0.231 356 D C -0.533 175.767 176.300 0.000 0.000 1.099 356 D CA 0.053 54.024 54.000 -0.048 0.000 0.901 356 D CB 2.205 42.954 40.800 -0.085 0.000 1.478 356 D HN 0.291 nan 8.370 nan 0.000 0.471 357 T N -2.132 112.421 114.554 -0.002 0.000 2.841 357 T HA 0.767 5.117 4.350 -0.000 0.000 0.283 357 T C -0.612 174.096 174.700 0.013 0.000 1.000 357 T CA -0.864 61.250 62.100 0.024 0.000 0.977 357 T CB 1.789 70.672 68.868 0.025 0.000 0.979 357 T HN 0.363 nan 8.240 nan 0.000 0.446 358 A N 3.642 126.492 122.820 0.051 0.000 2.318 358 A HA 0.754 5.074 4.320 -0.000 0.000 0.324 358 A C 0.297 177.938 177.584 0.095 0.000 1.170 358 A CA -1.243 50.839 52.037 0.075 0.000 0.810 358 A CB 0.756 19.865 19.000 0.181 0.000 1.198 358 A HN 1.021 nan 8.150 nan 0.000 0.484 359 R N 2.183 122.721 120.500 0.063 0.000 2.265 359 R HA 0.654 4.994 4.340 -0.000 0.000 0.319 359 R C -0.921 175.403 176.300 0.040 0.000 1.006 359 R CA -0.627 55.500 56.100 0.045 0.000 0.880 359 R CB 0.894 31.209 30.300 0.025 0.000 1.077 359 R HN 0.461 nan 8.270 nan 0.000 0.454 360 L N 2.188 123.429 121.223 0.029 0.000 2.360 360 L HA 0.548 4.888 4.340 -0.000 0.000 0.271 360 L C -0.899 175.968 176.870 -0.006 0.000 1.057 360 L CA -0.323 54.519 54.840 0.004 0.000 0.803 360 L CB 1.520 43.578 42.059 -0.001 0.000 1.207 360 L HN 0.910 nan 8.230 nan 0.000 0.445 361 N N 2.360 121.048 118.700 -0.021 0.000 2.504 361 N HA 0.785 5.525 4.740 -0.000 0.000 0.268 361 N C -2.089 173.404 175.510 -0.030 0.000 1.184 361 N CA 0.160 53.198 53.050 -0.020 0.000 0.875 361 N CB 2.254 40.731 38.487 -0.015 0.000 1.630 361 N HN 0.997 nan 8.380 nan 0.000 0.486 362 A N 1.657 124.461 122.820 -0.026 0.000 2.586 362 A HA 0.544 4.864 4.320 -0.000 0.000 0.290 362 A C -1.817 175.750 177.584 -0.028 0.000 1.086 362 A CA -0.747 51.272 52.037 -0.030 0.000 0.665 362 A CB 1.134 20.114 19.000 -0.034 0.000 1.279 362 A HN 0.587 nan 8.150 nan 0.000 0.423 363 N N 0.727 119.411 118.700 -0.027 0.000 2.446 363 N HA 0.586 5.326 4.740 -0.000 0.000 0.265 363 N C -1.073 174.416 175.510 -0.034 0.000 0.975 363 N CA -0.059 52.976 53.050 -0.025 0.000 0.928 363 N CB 1.430 39.908 38.487 -0.015 0.000 1.160 363 N HN 0.722 nan 8.380 nan 0.000 0.495 364 I N -0.871 119.663 120.570 -0.060 0.000 3.002 364 I HA 0.689 4.859 4.170 -0.000 0.000 0.310 364 I C -0.470 175.574 176.117 -0.121 0.000 1.087 364 I CA -1.045 60.196 61.300 -0.099 0.000 1.017 364 I CB 1.763 39.663 38.000 -0.165 0.000 1.226 364 I HN 0.279 nan 8.210 nan 0.000 0.443 365 R N 2.488 122.914 120.500 -0.123 0.000 2.574 365 R HA 0.534 4.874 4.340 -0.000 0.000 0.288 365 R C -1.815 174.394 176.300 -0.153 0.000 1.004 365 R CA -0.774 55.294 56.100 -0.054 0.000 0.895 365 R CB 0.836 31.210 30.300 0.125 0.000 1.191 365 R HN 0.554 nan 8.270 nan 0.000 0.444 366 Y N 1.073 121.392 120.300 0.032 0.000 2.397 366 Y HA 0.348 4.898 4.550 -0.000 0.000 0.335 366 Y C 0.462 176.266 175.900 -0.161 0.000 1.213 366 Y CA -0.181 57.853 58.100 -0.110 0.000 1.391 366 Y CB 1.398 39.753 38.460 -0.176 0.000 1.293 366 Y HN 0.356 nan 8.280 nan 0.000 0.557 367 V N 4.110 123.872 119.914 -0.252 0.000 2.655 367 V HA 0.324 4.444 4.120 -0.000 0.000 0.301 367 V C -1.220 174.586 176.094 -0.480 0.000 1.082 367 V CA -0.852 61.157 62.300 -0.486 0.000 0.899 367 V CB 1.649 32.877 31.823 -0.993 0.000 1.014 367 V HN 0.865 nan 8.190 nan 0.000 0.429 368 N N 3.626 122.134 118.700 -0.320 0.000 2.514 368 N HA 0.358 5.098 4.740 -0.000 0.000 0.277 368 N C 0.435 175.812 175.510 -0.222 0.000 1.126 368 N CA 0.950 53.841 53.050 -0.266 0.000 0.978 368 N CB 1.950 40.311 38.487 -0.209 0.000 1.106 368 N HN 0.698 nan 8.380 nan 0.000 0.461 369 T N 0.885 115.334 114.554 -0.175 0.000 2.975 369 T HA 0.323 4.673 4.350 -0.000 0.000 0.261 369 T C 0.952 175.590 174.700 -0.104 0.000 0.984 369 T CA 0.384 62.423 62.100 -0.101 0.000 0.911 369 T CB -0.423 68.434 68.868 -0.017 0.000 1.127 369 T HN 0.542 nan 8.240 nan 0.000 0.514 370 G N 1.239 109.935 108.800 -0.174 0.000 2.679 370 G HA2 0.207 4.167 3.960 -0.000 0.000 0.158 370 G HA3 0.207 4.167 3.960 -0.000 0.000 0.158 370 G C 1.076 175.913 174.900 -0.106 0.000 1.702 370 G CA 1.405 46.378 45.100 -0.211 0.000 1.041 370 G HN 0.488 nan 8.290 nan 0.000 0.507 371 T N -3.904 110.602 114.554 -0.079 0.000 3.041 371 T HA 0.633 4.983 4.350 -0.000 0.000 0.276 371 T C 0.348 175.054 174.700 0.011 0.000 0.948 371 T CA 0.791 62.886 62.100 -0.009 0.000 0.885 371 T CB 0.330 69.226 68.868 0.047 0.000 1.175 371 T HN 0.984 nan 8.240 nan 0.000 0.529 372 A N 2.295 125.115 122.820 0.001 0.000 2.384 372 A HA 0.951 5.271 4.320 -0.000 0.000 0.312 372 A C -3.082 174.541 177.584 0.065 0.000 1.113 372 A CA -2.108 49.995 52.037 0.110 0.000 0.779 372 A CB 1.739 20.893 19.000 0.256 0.000 1.307 372 A HN 0.199 nan 8.150 nan 0.000 0.436 373 P HA 0.671 nan 4.420 nan 0.000 0.289 373 P C -1.194 176.284 177.300 0.295 0.000 1.293 373 P CA -0.493 62.703 63.100 0.161 0.000 0.897 373 P CB 1.579 33.376 31.700 0.160 0.000 1.166 374 I N 1.667 122.312 120.570 0.125 0.000 2.404 374 I HA 0.252 4.422 4.170 -0.000 0.000 0.293 374 I C 0.482 176.710 176.117 0.184 0.000 0.992 374 I CA -0.673 60.757 61.300 0.217 0.000 1.149 374 I CB 1.653 39.628 38.000 -0.041 0.000 1.315 374 I HN 0.305 nan 8.210 nan 0.000 0.446 375 Y N 4.364 124.747 120.300 0.139 0.000 2.462 375 Y HA 0.053 4.603 4.550 -0.000 0.000 0.261 375 Y C 1.303 177.246 175.900 0.071 0.000 1.146 375 Y CA -0.154 58.007 58.100 0.102 0.000 1.283 375 Y CB -0.001 38.524 38.460 0.108 0.000 1.090 375 Y HN 0.677 nan 8.280 nan 0.000 0.526 376 N N -2.067 116.738 118.700 0.176 0.000 2.946 376 N HA 0.037 4.777 4.740 -0.000 0.000 0.245 376 N C -0.460 175.056 175.510 0.011 0.000 1.492 376 N CA -0.138 52.968 53.050 0.094 0.000 1.365 376 N CB 0.355 38.906 38.487 0.107 0.000 0.872 376 N HN -0.220 nan 8.380 nan 0.000 0.966 377 V N 2.868 122.795 119.914 0.020 0.000 2.458 377 V HA 0.076 4.196 4.120 -0.000 0.000 0.287 377 V C 0.372 176.399 176.094 -0.112 0.000 1.009 377 V CA -0.033 62.248 62.300 -0.033 0.000 1.091 377 V CB -0.629 31.204 31.823 0.016 0.000 0.960 377 V HN 0.213 nan 8.190 nan 0.000 0.476 378 L N 8.409 129.476 121.223 -0.259 0.000 2.468 378 L HA 0.460 4.800 4.340 -0.000 0.000 0.254 378 L C -1.918 174.740 176.870 -0.353 0.000 1.171 378 L CA -1.468 53.085 54.840 -0.478 0.000 0.809 378 L CB 0.003 41.522 42.059 -0.900 0.000 1.155 378 L HN 0.422 nan 8.230 nan 0.000 0.473 379 P HA 0.157 nan 4.420 nan 0.000 0.274 379 P C -0.931 176.325 177.300 -0.074 0.000 1.237 379 P CA -0.284 62.736 63.100 -0.134 0.000 0.793 379 P CB 0.365 32.015 31.700 -0.083 0.000 0.977 380 T N 0.500 115.066 114.554 0.021 0.000 3.477 380 T HA 0.190 4.540 4.350 -0.000 0.000 0.347 380 T C 0.252 174.996 174.700 0.074 0.000 1.567 380 T CA -0.120 62.006 62.100 0.044 0.000 1.169 380 T CB -0.771 68.119 68.868 0.037 0.000 1.196 380 T HN 0.290 nan 8.240 nan 0.000 0.768 381 T N 2.631 117.254 114.554 0.114 0.000 2.869 381 T HA 0.392 4.742 4.350 -0.000 0.000 0.295 381 T C 0.312 175.055 174.700 0.072 0.000 0.987 381 T CA -0.666 61.498 62.100 0.107 0.000 1.109 381 T CB 0.279 69.234 68.868 0.144 0.000 0.932 381 T HN 0.493 nan 8.240 nan 0.000 0.518 382 S N 5.481 121.213 115.700 0.053 0.000 2.449 382 S HA 0.520 4.990 4.470 -0.000 0.000 0.310 382 S C -0.411 174.206 174.600 0.028 0.000 1.096 382 S CA -1.015 57.207 58.200 0.037 0.000 1.095 382 S CB 1.040 64.260 63.200 0.033 0.000 1.007 382 S HN 0.807 nan 8.310 nan 0.000 0.474 383 L N 4.471 125.706 121.223 0.020 0.000 2.281 383 L HA 0.577 4.917 4.340 -0.000 0.000 0.285 383 L C -1.070 175.807 176.870 0.011 0.000 1.074 383 L CA -0.448 54.399 54.840 0.012 0.000 0.817 383 L CB 0.646 42.708 42.059 0.005 0.000 1.168 383 L HN 0.638 nan 8.230 nan 0.000 0.434 384 V N 5.341 125.261 119.914 0.010 0.000 2.919 384 V HA 0.481 4.601 4.120 -0.000 0.000 0.316 384 V C -0.626 175.471 176.094 0.004 0.000 1.077 384 V CA -0.821 61.483 62.300 0.008 0.000 0.977 384 V CB 2.098 33.925 31.823 0.008 0.000 1.039 384 V HN 0.600 nan 8.190 nan 0.000 0.441 385 L N 3.119 124.344 121.223 0.004 0.000 2.415 385 L HA 0.891 5.231 4.340 -0.000 0.000 0.268 385 L C 0.128 176.997 176.870 -0.002 0.000 0.984 385 L CA 1.303 56.144 54.840 0.001 0.000 0.853 385 L CB 0.536 42.598 42.059 0.005 0.000 1.215 385 L HN 1.112 nan 8.230 nan 0.000 0.419 386 G N 4.516 113.312 108.800 -0.006 0.000 2.545 386 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.240 386 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.240 386 G C 0.386 175.279 174.900 -0.012 0.000 1.172 386 G CA 0.125 45.218 45.100 -0.011 0.000 0.949 386 G HN 0.610 nan 8.290 nan 0.000 0.574 387 K N 1.214 121.605 120.400 -0.014 0.000 2.354 387 K HA 0.214 4.534 4.320 -0.000 0.000 0.194 387 K C 1.267 177.860 176.600 -0.012 0.000 1.038 387 K CA 1.118 57.395 56.287 -0.016 0.000 1.052 387 K CB 0.262 32.749 32.500 -0.022 0.000 0.861 387 K HN 0.594 nan 8.250 nan 0.000 0.535 388 N N -1.615 117.080 118.700 -0.008 0.000 1.839 388 N HA -0.081 4.659 4.740 -0.000 0.000 0.232 388 N C -0.558 174.952 175.510 -0.000 0.000 1.425 388 N CA -0.319 52.727 53.050 -0.006 0.000 0.743 388 N CB -0.034 38.447 38.487 -0.010 0.000 1.044 388 N HN -0.148 nan 8.380 nan 0.000 0.519 389 Q N 2.031 121.832 119.800 0.001 0.000 2.337 389 Q HA 0.118 4.458 4.340 -0.000 0.000 0.255 389 Q C -0.334 175.671 176.000 0.009 0.000 1.205 389 Q CA 0.327 56.135 55.803 0.007 0.000 0.902 389 Q CB 0.010 28.754 28.738 0.010 0.000 1.433 389 Q HN 0.423 nan 8.270 nan 0.000 0.471 390 T N -0.354 114.207 114.554 0.011 0.000 2.814 390 T HA 0.261 4.611 4.350 -0.000 0.000 0.297 390 T C 0.920 175.630 174.700 0.016 0.000 0.956 390 T CA -0.556 61.551 62.100 0.013 0.000 1.123 390 T CB 0.639 69.515 68.868 0.013 0.000 0.902 390 T HN 0.519 nan 8.240 nan 0.000 0.528 391 L N 1.912 123.144 121.223 0.015 0.000 2.477 391 L HA 0.517 4.857 4.340 -0.000 0.000 0.220 391 L C 1.246 178.126 176.870 0.017 0.000 1.106 391 L CA 0.173 55.024 54.840 0.018 0.000 0.851 391 L CB -0.381 41.687 42.059 0.015 0.000 0.994 391 L HN 1.031 nan 8.230 nan 0.000 0.462 392 A N -0.535 122.294 122.820 0.016 0.000 2.441 392 A HA 0.485 4.805 4.320 -0.000 0.000 0.295 392 A C -0.845 176.750 177.584 0.019 0.000 0.992 392 A CA -0.170 51.877 52.037 0.017 0.000 0.603 392 A CB 0.412 19.421 19.000 0.015 0.000 1.385 392 A HN -0.029 nan 8.150 nan 0.000 0.470 393 T N 0.137 114.704 114.554 0.022 0.000 3.038 393 T HA 0.591 4.941 4.350 -0.000 0.000 0.344 393 T C -0.262 174.458 174.700 0.034 0.000 1.054 393 T CA -0.055 62.062 62.100 0.028 0.000 1.092 393 T CB -0.383 68.501 68.868 0.027 0.000 1.031 393 T HN 1.471 nan 8.240 nan 0.000 0.482 394 I N 0.736 121.331 120.570 0.042 0.000 2.416 394 I HA 0.557 4.727 4.170 -0.000 0.000 0.288 394 I C 0.187 176.354 176.117 0.084 0.000 1.051 394 I CA -0.483 60.851 61.300 0.057 0.000 1.375 394 I CB 0.884 38.913 38.000 0.050 0.000 1.407 394 I HN 0.661 nan 8.210 nan 0.000 0.516 395 K N 5.755 126.195 120.400 0.067 0.000 3.200 395 K HA 0.485 4.805 4.320 -0.000 0.000 0.179 395 K C -0.447 176.166 176.600 0.023 0.000 1.153 395 K CA -0.425 55.889 56.287 0.044 0.000 0.836 395 K CB 0.941 33.457 32.500 0.026 0.000 1.051 395 K HN 0.903 nan 8.250 nan 0.000 0.594 396 A N 2.637 125.479 122.820 0.037 0.000 2.613 396 A HA 0.000 4.320 4.320 -0.000 0.000 0.230 396 A C -0.209 177.363 177.584 -0.019 0.000 1.051 396 A CA 0.439 52.485 52.037 0.015 0.000 0.754 396 A CB -0.010 19.005 19.000 0.026 0.000 0.979 396 A HN 0.645 nan 8.150 nan 0.000 0.510 397 K N 1.244 121.641 120.400 -0.005 0.000 2.611 397 K HA 0.055 4.375 4.320 -0.000 0.000 0.280 397 K C 0.060 176.648 176.600 -0.021 0.000 0.964 397 K CA 0.831 57.114 56.287 -0.007 0.000 1.029 397 K CB 0.161 32.664 32.500 0.005 0.000 0.862 397 K HN 0.706 nan 8.250 nan 0.000 0.501 398 E N 2.010 122.202 120.200 -0.013 0.000 2.319 398 E HA 0.182 4.532 4.350 -0.000 0.000 0.268 398 E C 0.211 176.812 176.600 0.002 0.000 1.050 398 E CA -0.173 56.219 56.400 -0.013 0.000 0.878 398 E CB 0.537 30.235 29.700 -0.002 0.000 1.066 398 E HN 0.553 nan 8.360 nan 0.000 0.406 399 N N 1.108 119.813 118.700 0.008 0.000 2.932 399 N HA -0.345 4.395 4.740 -0.000 0.000 0.227 399 N C 1.239 176.764 175.510 0.025 0.000 0.854 399 N CA 1.606 54.669 53.050 0.023 0.000 1.064 399 N CB -0.620 37.882 38.487 0.023 0.000 1.029 399 N HN 0.668 nan 8.380 nan 0.000 0.619 400 Q N 0.829 120.639 119.800 0.017 0.000 2.197 400 Q HA -0.139 4.201 4.340 -0.000 0.000 0.207 400 Q C 0.558 176.582 176.000 0.040 0.000 0.984 400 Q CA 1.432 57.249 55.803 0.024 0.000 0.869 400 Q CB 0.049 28.797 28.738 0.017 0.000 0.906 400 Q HN 0.563 nan 8.270 nan 0.000 0.426 401 L N -3.033 118.214 121.223 0.042 0.000 2.334 401 L HA 0.521 4.861 4.340 -0.000 0.000 0.273 401 L C 0.020 176.936 176.870 0.077 0.000 1.013 401 L CA -0.252 54.635 54.840 0.079 0.000 0.816 401 L CB 2.256 44.386 42.059 0.118 0.000 1.278 401 L HN -0.249 nan 8.230 nan 0.000 0.431 402 S N -0.465 115.286 115.700 0.085 0.000 2.603 402 S HA 0.235 4.705 4.470 -0.000 0.000 0.232 402 S C 0.418 175.061 174.600 0.071 0.000 1.016 402 S CA -0.227 58.022 58.200 0.081 0.000 0.976 402 S CB -0.033 63.209 63.200 0.070 0.000 0.921 402 S HN 0.795 nan 8.310 nan 0.000 0.516 403 Q N 1.023 120.873 119.800 0.084 0.000 2.524 403 Q HA 0.328 4.668 4.340 -0.000 0.000 0.246 403 Q C -0.586 175.418 176.000 0.007 0.000 1.063 403 Q CA 0.542 56.369 55.803 0.040 0.000 0.945 403 Q CB 0.236 29.000 28.738 0.044 0.000 1.292 403 Q HN 0.199 nan 8.270 nan 0.000 0.518 404 I N 0.926 121.439 120.570 -0.094 0.000 2.441 404 I HA 0.173 4.343 4.170 -0.000 0.000 0.295 404 I C -0.716 175.330 176.117 -0.117 0.000 0.994 404 I CA -0.551 60.614 61.300 -0.225 0.000 1.144 404 I CB 1.372 39.108 38.000 -0.440 0.000 1.314 404 I HN 0.399 nan 8.210 nan 0.000 0.445 405 L N 6.794 127.957 121.223 -0.100 0.000 2.512 405 L HA 0.639 4.979 4.340 -0.000 0.000 0.247 405 L C 0.593 177.406 176.870 -0.096 0.000 1.204 405 L CA -0.178 54.634 54.840 -0.048 0.000 1.153 405 L CB -0.914 41.101 42.059 -0.074 0.000 1.415 405 L HN 0.729 nan 8.230 nan 0.000 0.406 406 A N 3.959 126.724 122.820 -0.092 0.000 2.366 406 A HA 0.525 4.845 4.320 -0.000 0.000 0.250 406 A C -2.249 175.300 177.584 -0.059 0.000 1.099 406 A CA -0.849 51.148 52.037 -0.067 0.000 0.794 406 A CB -0.532 18.436 19.000 -0.054 0.000 1.056 406 A HN 0.526 nan 8.150 nan 0.000 0.499 407 P HA 0.016 nan 4.420 nan 0.000 0.271 407 P C -0.363 176.916 177.300 -0.035 0.000 1.233 407 P CA -0.178 62.893 63.100 -0.049 0.000 0.789 407 P CB 0.163 31.847 31.700 -0.026 0.000 0.951 408 N N 0.894 119.570 118.700 -0.040 0.000 2.759 408 N HA -0.261 4.479 4.740 -0.000 0.000 0.277 408 N C -0.457 175.071 175.510 0.030 0.000 0.982 408 N CA 1.160 54.206 53.050 -0.007 0.000 0.833 408 N CB -1.441 37.064 38.487 0.029 0.000 0.927 408 N HN 0.477 nan 8.380 nan 0.000 0.573 409 N N 0.574 119.277 118.700 0.004 0.000 2.697 409 N HA 0.119 4.859 4.740 -0.000 0.000 0.271 409 N C -1.386 174.163 175.510 0.064 0.000 1.149 409 N CA -0.462 52.636 53.050 0.080 0.000 0.939 409 N CB 0.461 38.961 38.487 0.022 0.000 1.534 409 N HN 0.017 nan 8.380 nan 0.000 0.556 410 Y N 2.915 123.187 120.300 -0.046 0.000 2.717 410 Y HA -0.019 4.531 4.550 -0.000 0.000 0.330 410 Y C 1.631 177.519 175.900 -0.019 0.000 1.217 410 Y CA 0.220 58.301 58.100 -0.032 0.000 1.506 410 Y CB 0.108 38.547 38.460 -0.035 0.000 1.268 410 Y HN 0.587 nan 8.280 nan 0.000 0.561 411 Y N 5.981 126.310 120.300 0.048 0.000 1.974 411 Y HA -0.152 4.398 4.550 -0.000 0.000 0.255 411 Y C -1.107 174.829 175.900 0.059 0.000 1.125 411 Y CA 0.859 58.986 58.100 0.044 0.000 1.085 411 Y CB -1.518 37.009 38.460 0.111 0.000 0.957 411 Y HN 0.413 nan 8.280 nan 0.000 0.484 412 P HA 0.026 nan 4.420 nan 0.000 0.259 412 P C -0.687 176.508 177.300 -0.176 0.000 1.635 412 P CA 0.406 63.286 63.100 -0.367 0.000 1.199 412 P CB -0.173 31.530 31.700 0.006 0.000 1.850 413 S N 4.050 119.618 115.700 -0.220 0.000 4.273 413 S HA -0.151 4.319 4.470 -0.000 0.000 0.512 413 S C 1.651 176.199 174.600 -0.086 0.000 1.063 413 S CA 0.158 58.288 58.200 -0.116 0.000 0.904 413 S CB -0.009 63.117 63.200 -0.123 0.000 0.778 413 S HN 0.408 nan 8.310 nan 0.000 0.467 414 K N 2.787 123.136 120.400 -0.084 0.000 2.304 414 K HA -0.225 4.095 4.320 -0.000 0.000 0.204 414 K C 1.112 177.652 176.600 -0.100 0.000 1.044 414 K CA 1.857 58.064 56.287 -0.134 0.000 0.932 414 K CB -0.587 31.789 32.500 -0.207 0.000 0.735 414 K HN 0.930 nan 8.250 nan 0.000 0.468 415 N N -0.065 118.587 118.700 -0.081 0.000 2.378 415 N HA 0.124 4.864 4.740 -0.000 0.000 0.243 415 N C 0.218 175.692 175.510 -0.060 0.000 1.137 415 N CA -0.075 52.935 53.050 -0.066 0.000 0.862 415 N CB 0.143 38.596 38.487 -0.057 0.000 1.116 415 N HN -0.002 nan 8.380 nan 0.000 0.499 416 L N -1.716 119.469 121.223 -0.064 0.000 2.218 416 L HA 0.763 5.103 4.340 -0.000 0.000 0.243 416 L C -0.704 176.142 176.870 -0.041 0.000 1.132 416 L CA -1.890 52.916 54.840 -0.055 0.000 1.052 416 L CB 0.892 42.906 42.059 -0.075 0.000 1.599 416 L HN 0.035 nan 8.230 nan 0.000 0.468 417 A N 0.708 123.510 122.820 -0.029 0.000 2.260 417 A HA 0.655 4.975 4.320 -0.000 0.000 0.312 417 A C -2.451 175.135 177.584 0.003 0.000 1.321 417 A CA -1.257 50.773 52.037 -0.012 0.000 0.928 417 A CB -0.332 18.666 19.000 -0.004 0.000 1.158 417 A HN 0.289 nan 8.150 nan 0.000 0.542 418 P HA 0.065 nan 4.420 nan 0.000 0.264 418 P C 0.052 177.371 177.300 0.033 0.000 1.193 418 P CA 0.124 63.237 63.100 0.022 0.000 0.763 418 P CB 0.353 32.056 31.700 0.005 0.000 0.810 419 I N 1.825 122.432 120.570 0.062 0.000 2.872 419 I HA 0.085 4.255 4.170 -0.000 0.000 0.291 419 I C 0.580 176.703 176.117 0.009 0.000 1.216 419 I CA 0.408 61.742 61.300 0.057 0.000 1.424 419 I CB 0.426 38.474 38.000 0.079 0.000 1.351 419 I HN 0.362 nan 8.210 nan 0.000 0.592 420 A N 7.676 130.503 122.820 0.011 0.000 2.318 420 A HA 0.601 4.921 4.320 -0.000 0.000 0.317 420 A C -0.391 177.190 177.584 -0.004 0.000 1.159 420 A CA -0.677 51.358 52.037 -0.003 0.000 0.799 420 A CB 0.850 19.850 19.000 0.001 0.000 1.194 420 A HN 0.645 nan 8.150 nan 0.000 0.479 421 L N 1.529 122.743 121.223 -0.015 0.000 2.483 421 L HA 0.002 4.342 4.340 -0.000 0.000 0.277 421 L C 0.493 177.363 176.870 -0.000 0.000 1.248 421 L CA -0.462 54.372 54.840 -0.010 0.000 0.825 421 L CB 0.090 42.139 42.059 -0.016 0.000 1.096 421 L HN 0.744 nan 8.230 nan 0.000 0.512 422 N N 2.017 120.720 118.700 0.005 0.000 3.054 422 N HA -0.195 4.545 4.740 -0.000 0.000 0.305 422 N C 0.111 175.624 175.510 0.006 0.000 1.084 422 N CA 1.053 54.108 53.050 0.008 0.000 0.842 422 N CB -0.170 38.322 38.487 0.008 0.000 0.953 422 N HN 0.718 nan 8.380 nan 0.000 0.625 423 A N 0.795 123.620 122.820 0.008 0.000 2.502 423 A HA 0.181 4.501 4.320 -0.000 0.000 0.253 423 A C 0.202 177.792 177.584 0.010 0.000 0.938 423 A CA -0.212 51.829 52.037 0.006 0.000 1.086 423 A CB 0.650 19.652 19.000 0.003 0.000 1.176 423 A HN 0.445 nan 8.150 nan 0.000 0.499 429 S N -0.816 114.890 115.700 0.011 0.000 2.684 429 S HA 0.317 4.787 4.470 -0.000 0.000 0.268 429 S C 0.240 174.845 174.600 0.010 0.000 1.075 429 S CA 0.495 58.701 58.200 0.009 0.000 1.184 429 S CB 0.241 63.446 63.200 0.009 0.000 1.129 429 S HN 1.851 nan 8.310 nan 0.000 0.630 430 T N 1.147 115.708 114.554 0.011 0.000 3.009 430 T HA 0.683 5.033 4.350 -0.000 0.000 0.346 430 T C -2.710 171.998 174.700 0.013 0.000 1.092 430 T CA -1.302 60.805 62.100 0.012 0.000 1.080 430 T CB 1.388 70.264 68.868 0.012 0.000 1.037 430 T HN -0.050 nan 8.240 nan 0.000 0.487 431 P HA 0.393 nan 4.420 nan 0.000 0.330 431 P C -0.386 176.923 177.300 0.016 0.000 1.377 431 P CA -0.554 62.554 63.100 0.013 0.000 0.793 431 P CB 0.401 32.109 31.700 0.013 0.000 1.813 432 I N -0.716 119.865 120.570 0.018 0.000 2.390 432 I HA 0.208 4.378 4.170 -0.000 0.000 0.283 432 I C -0.242 175.894 176.117 0.031 0.000 1.016 432 I CA -0.477 60.836 61.300 0.022 0.000 1.151 432 I CB 1.132 39.143 38.000 0.018 0.000 1.293 432 I HN 0.025 nan 8.210 nan 0.000 0.458 433 T N 7.321 121.895 114.554 0.033 0.000 2.884 433 T HA 0.471 4.821 4.350 -0.000 0.000 0.298 433 T C -0.250 174.484 174.700 0.057 0.000 0.998 433 T CA -0.081 62.044 62.100 0.042 0.000 1.124 433 T CB 0.871 69.760 68.868 0.035 0.000 0.931 433 T HN 0.552 nan 8.240 nan 0.000 0.531 434 M N 4.284 123.930 119.600 0.078 0.000 2.221 434 M HA 0.284 4.764 4.480 -0.000 0.000 0.259 434 M C -1.025 175.356 176.300 0.135 0.000 1.001 434 M CA -0.833 54.534 55.300 0.111 0.000 1.009 434 M CB 1.116 33.803 32.600 0.144 0.000 1.939 434 M HN 0.718 nan 8.290 nan 0.000 0.477 435 N N 2.517 121.293 118.700 0.126 0.000 2.408 435 N HA 0.127 4.867 4.740 -0.000 0.000 0.260 435 N C 0.473 176.108 175.510 0.209 0.000 1.242 435 N CA -0.299 52.836 53.050 0.142 0.000 0.959 435 N CB 0.365 38.920 38.487 0.114 0.000 1.201 435 N HN 0.600 nan 8.380 nan 0.000 0.511 436 Y N 0.635 120.972 120.300 0.061 0.000 2.102 436 Y HA -0.305 4.245 4.550 -0.000 0.000 0.280 436 Y C 1.440 177.425 175.900 0.142 0.000 1.178 436 Y CA 2.202 60.347 58.100 0.074 0.000 1.146 436 Y CB -0.666 37.807 38.460 0.022 0.000 0.968 436 Y HN 0.703 nan 8.280 nan 0.000 0.504 437 N N -0.727 118.060 118.700 0.146 0.000 2.104 437 N HA -0.233 4.507 4.740 -0.000 0.000 0.190 437 N C 1.757 177.290 175.510 0.040 0.000 1.024 437 N CA 1.346 54.427 53.050 0.053 0.000 0.853 437 N CB -0.220 38.316 38.487 0.082 0.000 1.008 437 N HN 0.570 nan 8.380 nan 0.000 0.424 438 Q N 0.468 120.320 119.800 0.087 0.000 1.990 438 Q HA -0.129 4.211 4.340 -0.000 0.000 0.200 438 Q C 1.858 177.924 176.000 0.110 0.000 0.980 438 Q CA 1.125 56.977 55.803 0.083 0.000 0.832 438 Q CB -0.362 28.432 28.738 0.094 0.000 0.897 438 Q HN 0.334 nan 8.270 nan 0.000 0.427 439 F N 1.537 121.492 119.950 0.007 0.000 2.225 439 F HA -0.259 4.268 4.527 -0.000 0.000 0.302 439 F C 1.816 177.627 175.800 0.020 0.000 1.068 439 F CA 0.892 58.913 58.000 0.036 0.000 1.327 439 F CB -0.085 38.942 39.000 0.045 0.000 1.043 439 F HN 0.058 nan 8.300 nan 0.000 0.506 440 L N 0.626 121.925 121.223 0.127 0.000 2.023 440 L HA -0.133 4.207 4.340 -0.000 0.000 0.205 440 L C 2.298 179.141 176.870 -0.045 0.000 1.073 440 L CA 1.900 56.732 54.840 -0.014 0.000 0.745 440 L CB -1.113 40.855 42.059 -0.152 0.000 0.900 440 L HN 0.162 nan 8.230 nan 0.000 0.435 441 E N -0.611 119.570 120.200 -0.031 0.000 2.049 441 E HA -0.302 4.048 4.350 -0.000 0.000 0.198 441 E C 2.144 178.718 176.600 -0.043 0.000 1.007 441 E CA 1.615 57.993 56.400 -0.037 0.000 0.809 441 E CB -0.481 29.208 29.700 -0.017 0.000 0.749 441 E HN 0.375 nan 8.360 nan 0.000 0.450 442 L N 1.777 122.984 121.223 -0.027 0.000 2.034 442 L HA -0.296 4.044 4.340 -0.000 0.000 0.217 442 L C 2.255 179.155 176.870 0.050 0.000 1.077 442 L CA 2.185 57.031 54.840 0.010 0.000 0.769 442 L CB -0.514 41.523 42.059 -0.036 0.000 0.890 442 L HN 0.146 nan 8.230 nan 0.000 0.435 443 E N -0.724 119.452 120.200 -0.039 0.000 2.106 443 E HA -0.289 4.061 4.350 -0.000 0.000 0.192 443 E C 2.250 178.643 176.600 -0.345 0.000 0.984 443 E CA 1.186 57.309 56.400 -0.463 0.000 0.806 443 E CB -0.192 29.161 29.700 -0.579 0.000 0.750 443 E HN 0.535 nan 8.360 nan 0.000 0.458 444 K N -0.226 120.057 120.400 -0.196 0.000 2.280 444 K HA -0.119 4.201 4.320 -0.000 0.000 0.202 444 K C 1.642 178.161 176.600 -0.135 0.000 1.047 444 K CA 1.750 57.941 56.287 -0.159 0.000 0.942 444 K CB 0.076 32.511 32.500 -0.107 0.000 0.739 444 K HN 0.278 nan 8.250 nan 0.000 0.457 445 T N -4.053 110.439 114.554 -0.103 0.000 2.966 445 T HA 0.180 4.530 4.350 -0.000 0.000 0.254 445 T C 0.164 174.836 174.700 -0.047 0.000 0.961 445 T CA -0.342 61.714 62.100 -0.075 0.000 0.915 445 T CB 0.153 68.992 68.868 -0.049 0.000 1.186 445 T HN 0.150 nan 8.240 nan 0.000 0.505 446 K N 1.882 122.277 120.400 -0.009 0.000 3.035 446 K HA -0.207 4.113 4.320 -0.000 0.000 0.262 446 K C -0.301 176.338 176.600 0.066 0.000 1.024 446 K CA 1.058 57.401 56.287 0.093 0.000 0.748 446 K CB -1.674 30.878 32.500 0.087 0.000 1.247 446 K HN 0.910 nan 8.250 nan 0.000 0.482 447 Q N -0.446 119.373 119.800 0.032 0.000 2.309 447 Q HA 0.695 5.035 4.340 -0.000 0.000 0.273 447 Q C -1.124 174.880 176.000 0.007 0.000 1.040 447 Q CA -1.182 54.630 55.803 0.015 0.000 0.834 447 Q CB 1.692 30.428 28.738 -0.003 0.000 1.345 447 Q HN 0.132 nan 8.270 nan 0.000 0.414 448 L N 1.123 122.349 121.223 0.005 0.000 2.279 448 L HA 0.742 5.082 4.340 -0.000 0.000 0.262 448 L C -0.342 176.527 176.870 -0.001 0.000 1.019 448 L CA -1.168 53.672 54.840 0.000 0.000 0.823 448 L CB 2.245 44.302 42.059 -0.002 0.000 1.358 448 L HN 0.692 nan 8.230 nan 0.000 0.432 449 R N 0.759 121.259 120.500 -0.000 0.000 2.740 449 R HA 0.730 5.070 4.340 -0.000 0.000 0.282 449 R C -1.758 174.546 176.300 0.007 0.000 0.969 449 R CA -0.650 55.451 56.100 0.001 0.000 0.918 449 R CB 1.674 31.975 30.300 0.001 0.000 1.175 449 R HN 0.549 nan 8.270 nan 0.000 0.464 450 L N 3.570 124.800 121.223 0.011 0.000 2.377 450 L HA 0.386 4.726 4.340 -0.000 0.000 0.270 450 L C -1.296 175.595 176.870 0.034 0.000 0.991 450 L CA -0.815 54.038 54.840 0.022 0.000 0.851 450 L CB 1.982 44.055 42.059 0.023 0.000 1.218 450 L HN 0.589 nan 8.230 nan 0.000 0.420 451 D N 1.390 121.813 120.400 0.038 0.000 2.168 451 D HA 0.566 5.205 4.640 -0.000 0.000 0.246 451 D C -0.437 175.903 176.300 0.065 0.000 1.050 451 D CA 0.091 54.120 54.000 0.048 0.000 0.857 451 D CB 2.095 42.918 40.800 0.038 0.000 1.169 451 D HN 0.274 nan 8.370 nan 0.000 0.453 452 T N 1.142 115.744 114.554 0.080 0.000 2.861 452 T HA 0.370 4.720 4.350 -0.000 0.000 0.287 452 T C -0.318 174.443 174.700 0.103 0.000 1.003 452 T CA -1.002 61.158 62.100 0.100 0.000 0.977 452 T CB 1.374 70.315 68.868 0.121 0.000 0.996 452 T HN 0.375 nan 8.240 nan 0.000 0.448 453 D N 1.694 122.155 120.400 0.103 0.000 2.289 453 D HA 0.075 4.715 4.640 -0.000 0.000 0.266 453 D C 0.630 177.016 176.300 0.143 0.000 1.243 453 D CA -0.163 53.894 54.000 0.095 0.000 1.019 453 D CB 0.590 41.435 40.800 0.076 0.000 1.126 453 D HN 0.524 nan 8.370 nan 0.000 0.541 454 Q N -1.442 118.396 119.800 0.064 0.000 2.140 454 Q HA 0.197 4.537 4.340 -0.000 0.000 0.227 454 Q C -0.235 175.593 176.000 -0.287 0.000 0.798 454 Q CA -0.256 55.464 55.803 -0.137 0.000 0.987 454 Q CB 1.547 30.138 28.738 -0.244 0.000 1.161 454 Q HN 0.319 nan 8.270 nan 0.000 0.480 455 V N 2.184 122.124 119.914 0.043 0.000 2.400 455 V HA 0.068 4.188 4.120 -0.000 0.000 0.263 455 V C -0.861 175.441 176.094 0.347 0.000 1.026 455 V CA 0.389 62.749 62.300 0.099 0.000 1.077 455 V CB -0.684 31.191 31.823 0.085 0.000 1.054 455 V HN 0.142 nan 8.190 nan 0.000 0.477 456 Y N 4.524 124.870 120.300 0.076 0.000 2.496 456 Y HA 0.619 5.169 4.550 -0.000 0.000 0.331 456 Y C 1.284 177.296 175.900 0.186 0.000 1.140 456 Y CA -1.020 57.128 58.100 0.079 0.000 1.166 456 Y CB 1.548 40.012 38.460 0.007 0.000 1.249 456 Y HN 0.669 nan 8.280 nan 0.000 0.479 457 G N 0.983 109.980 108.800 0.328 0.000 2.744 457 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.257 457 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.257 457 G C -0.341 174.741 174.900 0.304 0.000 1.244 457 G CA -0.578 44.672 45.100 0.250 0.000 0.916 457 G HN 0.778 nan 8.290 nan 0.000 0.564 458 N N -1.540 117.255 118.700 0.158 0.000 2.235 458 N HA 0.159 4.899 4.740 -0.000 0.000 0.231 458 N C -0.001 175.524 175.510 0.025 0.000 1.330 458 N CA -0.063 53.012 53.050 0.043 0.000 0.898 458 N CB 0.561 39.040 38.487 -0.014 0.000 1.151 458 N HN 0.281 nan 8.380 nan 0.000 0.472 459 I N 0.102 120.553 120.570 -0.198 0.000 2.607 459 I HA 0.376 4.546 4.170 -0.000 0.000 0.305 459 I C -0.101 175.868 176.117 -0.247 0.000 0.995 459 I CA -0.938 60.202 61.300 -0.267 0.000 1.148 459 I CB 1.659 39.239 38.000 -0.701 0.000 1.323 459 I HN 0.443 nan 8.210 nan 0.000 0.461 460 A N 3.642 126.315 122.820 -0.244 0.000 2.252 460 A HA 0.589 4.909 4.320 -0.000 0.000 0.309 460 A C -0.168 177.321 177.584 -0.158 0.000 1.285 460 A CA -0.238 51.599 52.037 -0.333 0.000 0.900 460 A CB 0.745 19.307 19.000 -0.730 0.000 1.157 460 A HN 0.716 nan 8.150 nan 0.000 0.536 461 T N 1.072 115.545 114.554 -0.135 0.000 2.927 461 T HA 0.546 4.896 4.350 -0.000 0.000 0.286 461 T C -0.283 174.464 174.700 0.077 0.000 1.040 461 T CA -0.309 61.760 62.100 -0.053 0.000 1.010 461 T CB 0.545 69.340 68.868 -0.121 0.000 1.177 461 T HN 0.496 nan 8.240 nan 0.000 0.546 462 Y N 1.650 121.949 120.300 -0.002 0.000 2.262 462 Y HA 0.493 5.043 4.550 -0.000 0.000 0.368 462 Y C 0.524 176.444 175.900 0.032 0.000 1.352 462 Y CA -0.431 57.686 58.100 0.029 0.000 1.760 462 Y CB 0.543 39.028 38.460 0.042 0.000 1.627 462 Y HN 0.755 nan 8.280 nan 0.000 0.606 463 N N 1.236 119.605 118.700 -0.551 0.000 3.304 463 N HA 0.026 4.766 4.740 -0.000 0.000 0.187 463 N C 0.168 175.585 175.510 -0.155 0.000 1.482 463 N CA -0.013 52.911 53.050 -0.209 0.000 0.785 463 N CB -0.717 37.697 38.487 -0.121 0.000 1.619 463 N HN 0.588 nan 8.380 nan 0.000 0.624 464 F N 0.045 119.824 119.950 -0.286 0.000 2.079 464 F HA -0.338 4.189 4.527 -0.000 0.000 0.296 464 F C 1.551 177.296 175.800 -0.092 0.000 1.084 464 F CA 1.017 58.974 58.000 -0.072 0.000 1.236 464 F CB -0.363 38.719 39.000 0.137 0.000 0.984 464 F HN 0.247 nan 8.300 nan 0.000 0.488 465 E N 2.145 122.248 120.200 -0.162 0.000 2.072 465 E HA -0.288 4.061 4.350 -0.000 0.000 0.218 465 E C 1.179 177.689 176.600 -0.149 0.000 1.051 465 E CA 2.364 58.573 56.400 -0.318 0.000 0.880 465 E CB -0.868 28.694 29.700 -0.231 0.000 0.783 465 E HN 0.775 nan 8.360 nan 0.000 0.473 466 N N -1.404 117.231 118.700 -0.107 0.000 2.351 466 N HA 0.226 4.966 4.740 -0.000 0.000 0.254 466 N C 0.235 175.688 175.510 -0.096 0.000 1.241 466 N CA 0.531 53.532 53.050 -0.082 0.000 0.883 466 N CB 0.709 39.157 38.487 -0.064 0.000 1.202 466 N HN 0.173 nan 8.380 nan 0.000 0.512 467 G N 1.010 109.708 108.800 -0.171 0.000 2.357 467 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.282 467 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.282 467 G C -0.286 174.497 174.900 -0.195 0.000 0.910 467 G CA 0.444 45.380 45.100 -0.273 0.000 1.267 467 G HN 0.712 nan 8.290 nan 0.000 0.476 468 R N -0.481 119.863 120.500 -0.261 0.000 2.803 468 R HA 0.616 4.956 4.340 -0.000 0.000 0.276 468 R C -0.418 175.836 176.300 -0.078 0.000 0.978 468 R CA -0.921 55.116 56.100 -0.105 0.000 0.939 468 R CB 1.702 31.959 30.300 -0.070 0.000 1.179 468 R HN 0.103 nan 8.270 nan 0.000 0.472 469 V N 4.450 124.372 119.914 0.013 0.000 2.334 469 V HA 0.380 4.500 4.120 -0.000 0.000 0.267 469 V C 0.188 176.267 176.094 -0.024 0.000 1.040 469 V CA -0.331 61.992 62.300 0.038 0.000 0.866 469 V CB 0.839 32.715 31.823 0.089 0.000 1.019 469 V HN 0.661 nan 8.190 nan 0.000 0.468 470 R N 3.562 124.027 120.500 -0.057 0.000 2.832 470 R HA 0.744 5.084 4.340 -0.000 0.000 0.271 470 R C -1.382 174.833 176.300 -0.142 0.000 0.996 470 R CA -0.663 55.388 56.100 -0.083 0.000 0.977 470 R CB 2.194 32.455 30.300 -0.064 0.000 1.168 470 R HN 0.435 nan 8.270 nan 0.000 0.482 471 V N 3.064 122.895 119.914 -0.139 0.000 2.288 471 V HA 0.112 4.232 4.120 -0.000 0.000 0.266 471 V C -0.469 175.557 176.094 -0.114 0.000 1.048 471 V CA -0.642 61.561 62.300 -0.163 0.000 0.842 471 V CB 0.707 32.455 31.823 -0.126 0.000 1.064 471 V HN 0.730 nan 8.190 nan 0.000 0.472 472 D N 3.677 123.996 120.400 -0.135 0.000 2.338 472 D HA 0.082 4.722 4.640 -0.000 0.000 0.255 472 D C 1.622 177.858 176.300 -0.107 0.000 1.237 472 D CA 0.329 54.258 54.000 -0.119 0.000 0.883 472 D CB 1.513 42.225 40.800 -0.146 0.000 1.087 472 D HN 0.671 nan 8.370 nan 0.000 0.485 473 T N 0.362 114.871 114.554 -0.076 0.000 3.025 473 T HA -0.034 4.316 4.350 -0.000 0.000 0.270 473 T C 1.747 176.404 174.700 -0.070 0.000 1.126 473 T CA 0.565 62.631 62.100 -0.058 0.000 1.105 473 T CB -0.129 68.716 68.868 -0.039 0.000 0.884 473 T HN 0.375 nan 8.240 nan 0.000 0.522 474 G N 0.187 108.932 108.800 -0.091 0.000 2.777 474 G HA2 0.284 4.244 3.960 -0.000 0.000 0.211 474 G HA3 0.284 4.244 3.960 -0.000 0.000 0.211 474 G C 0.333 175.157 174.900 -0.127 0.000 1.149 474 G CA -0.305 44.736 45.100 -0.099 0.000 0.785 474 G HN 0.523 nan 8.290 nan 0.000 0.536 475 S N 0.654 116.258 115.700 -0.159 0.000 2.733 475 S HA 0.394 4.864 4.470 -0.000 0.000 0.307 475 S C -1.057 173.397 174.600 -0.243 0.000 1.127 475 S CA -0.830 57.242 58.200 -0.213 0.000 1.097 475 S CB 1.426 64.458 63.200 -0.280 0.000 1.003 475 S HN 0.304 nan 8.310 nan 0.000 0.477 476 N N 1.491 120.080 118.700 -0.185 0.000 2.321 476 N HA 0.241 4.981 4.740 -0.000 0.000 0.299 476 N C 0.462 175.902 175.510 -0.116 0.000 1.048 476 N CA -0.733 52.236 53.050 -0.136 0.000 0.836 476 N CB 0.877 39.356 38.487 -0.014 0.000 1.269 476 N HN 0.572 nan 8.380 nan 0.000 0.486 477 W N 1.930 123.235 121.300 0.009 0.000 2.290 477 W HA -0.192 4.468 4.660 -0.000 0.000 0.311 477 W C 2.252 178.743 176.519 -0.045 0.000 1.238 477 W CA 0.973 58.314 57.345 -0.007 0.000 1.255 477 W CB -0.666 28.786 29.460 -0.013 0.000 1.145 477 W HN 0.521 nan 8.180 nan 0.000 0.506 478 S N -0.055 115.740 115.700 0.157 0.000 2.461 478 S HA -0.240 4.230 4.470 -0.000 0.000 0.246 478 S C 1.380 176.003 174.600 0.038 0.000 1.007 478 S CA 1.799 60.037 58.200 0.063 0.000 0.976 478 S CB -0.334 62.891 63.200 0.042 0.000 0.763 478 S HN 0.482 nan 8.310 nan 0.000 0.508 479 E N -0.009 120.204 120.200 0.022 0.000 2.094 479 E HA 0.069 4.419 4.350 -0.000 0.000 0.193 479 E C 0.107 176.709 176.600 0.002 0.000 0.950 479 E CA 0.489 56.884 56.400 -0.008 0.000 0.842 479 E CB 0.246 29.918 29.700 -0.047 0.000 0.816 479 E HN 0.161 nan 8.360 nan 0.000 0.465 480 V N 2.725 122.635 119.914 -0.006 0.000 2.154 480 V HA 0.178 4.298 4.120 -0.000 0.000 0.265 480 V C 0.335 176.513 176.094 0.141 0.000 1.293 480 V CA 0.269 62.578 62.300 0.015 0.000 1.205 480 V CB 0.515 32.295 31.823 -0.072 0.000 1.306 480 V HN 0.243 nan 8.190 nan 0.000 0.479 481 L N 2.349 123.661 121.223 0.148 0.000 2.481 481 L HA 0.260 4.600 4.340 -0.000 0.000 0.253 481 L C -1.277 175.658 176.870 0.107 0.000 1.071 481 L CA 0.427 55.394 54.840 0.210 0.000 1.189 481 L CB 0.890 43.098 42.059 0.249 0.000 2.356 481 L HN 0.353 nan 8.230 nan 0.000 0.545 482 P HA -0.151 nan 4.420 nan 0.000 0.215 482 P C 0.970 178.288 177.300 0.030 0.000 1.153 482 P CA 1.267 64.394 63.100 0.044 0.000 0.853 482 P CB 0.052 31.771 31.700 0.032 0.000 0.788 483 Q N -0.488 119.330 119.800 0.029 0.000 2.062 483 Q HA -0.198 4.142 4.340 -0.000 0.000 0.209 483 Q C 2.149 178.149 176.000 0.001 0.000 0.996 483 Q CA 1.562 57.376 55.803 0.017 0.000 0.859 483 Q CB -1.616 27.136 28.738 0.023 0.000 0.920 483 Q HN 0.283 nan 8.270 nan 0.000 0.415 484 I N 1.403 121.968 120.570 -0.009 0.000 2.113 484 I HA -0.315 3.855 4.170 -0.000 0.000 0.242 484 I C 2.366 178.426 176.117 -0.095 0.000 1.064 484 I CA 1.686 62.936 61.300 -0.083 0.000 1.320 484 I CB -0.715 37.173 38.000 -0.187 0.000 1.028 484 I HN 0.298 nan 8.210 nan 0.000 0.406 485 Q N -0.233 119.535 119.800 -0.054 0.000 2.369 485 Q HA -0.118 4.222 4.340 -0.000 0.000 0.206 485 Q C 1.312 177.314 176.000 0.003 0.000 0.963 485 Q CA 0.741 56.535 55.803 -0.016 0.000 0.894 485 Q CB -0.044 28.714 28.738 0.034 0.000 0.965 485 Q HN 0.518 nan 8.270 nan 0.000 0.475 486 E N 0.219 120.420 120.200 0.000 0.000 2.481 486 E HA 0.013 4.363 4.350 -0.000 0.000 0.198 486 E C 0.581 177.181 176.600 -0.000 0.000 1.027 486 E CA 0.534 56.937 56.400 0.006 0.000 0.900 486 E CB 1.066 30.771 29.700 0.009 0.000 0.993 486 E HN 0.310 nan 8.360 nan 0.000 0.482 487 T N -1.735 112.813 114.554 -0.010 0.000 3.967 487 T HA 0.235 4.585 4.350 -0.000 0.000 0.262 487 T C 0.033 174.720 174.700 -0.022 0.000 0.966 487 T CA -0.343 61.751 62.100 -0.010 0.000 1.169 487 T CB -0.169 68.697 68.868 -0.003 0.000 1.038 487 T HN 0.009 nan 8.240 nan 0.000 0.541 488 T N -1.638 112.899 114.554 -0.027 0.000 2.665 488 T HA 0.829 5.179 4.350 -0.000 0.000 0.303 488 T C -1.337 173.350 174.700 -0.022 0.000 1.334 488 T CA -0.579 61.497 62.100 -0.040 0.000 1.011 488 T CB 1.372 70.191 68.868 -0.082 0.000 1.573 488 T HN 0.798 nan 8.240 nan 0.000 0.492 489 A N 0.811 123.616 122.820 -0.025 0.000 2.331 489 A HA 0.809 5.129 4.320 -0.000 0.000 0.320 489 A C -0.126 177.462 177.584 0.007 0.000 1.138 489 A CA -0.853 51.184 52.037 0.001 0.000 0.790 489 A CB 1.127 20.125 19.000 -0.004 0.000 1.206 489 A HN 0.825 nan 8.150 nan 0.000 0.470 490 R N 2.979 123.505 120.500 0.044 0.000 2.346 490 R HA 0.640 4.980 4.340 -0.000 0.000 0.311 490 R C -1.577 174.760 176.300 0.061 0.000 0.983 490 R CA -0.309 55.824 56.100 0.055 0.000 0.880 490 R CB 0.521 30.870 30.300 0.082 0.000 1.100 490 R HN 0.716 nan 8.270 nan 0.000 0.453 491 I N 5.916 126.535 120.570 0.082 0.000 2.478 491 I HA 0.293 4.463 4.170 -0.000 0.000 0.287 491 I C -0.303 175.899 176.117 0.143 0.000 1.042 491 I CA -0.881 60.484 61.300 0.108 0.000 1.067 491 I CB 2.067 40.204 38.000 0.229 0.000 1.233 491 I HN 0.374 nan 8.210 nan 0.000 0.431 492 I N 6.749 127.259 120.570 -0.100 0.000 2.306 492 I HA 0.295 4.465 4.170 -0.000 0.000 0.288 492 I C -0.515 175.471 176.117 -0.218 0.000 1.036 492 I CA -0.234 60.950 61.300 -0.194 0.000 1.221 492 I CB 0.497 38.195 38.000 -0.503 0.000 1.385 492 I HN 0.354 nan 8.210 nan 0.000 0.472 493 F N 7.823 127.503 119.950 -0.449 0.000 2.538 493 F HA 0.529 5.056 4.527 -0.000 0.000 0.325 493 F C -0.129 175.431 175.800 -0.401 0.000 1.066 493 F CA -0.995 56.592 58.000 -0.689 0.000 0.946 493 F CB 1.618 39.661 39.000 -1.595 0.000 1.199 493 F HN 0.527 nan 8.300 nan 0.000 0.473 494 N N 2.700 120.641 118.700 -1.265 0.000 2.752 494 N HA 0.261 5.001 4.740 -0.000 0.000 0.260 494 N C -0.168 174.711 175.510 -1.051 0.000 1.562 494 N CA -0.216 52.313 53.050 -0.867 0.000 0.788 494 N CB 0.654 38.906 38.487 -0.391 0.000 1.192 494 N HN 0.769 nan 8.380 nan 0.000 0.503 495 G N 1.279 109.188 108.800 -1.485 0.000 2.742 495 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.204 495 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.204 495 G C 1.154 176.078 174.900 0.039 0.000 1.126 495 G CA -0.069 44.664 45.100 -0.610 0.000 0.829 495 G HN 0.301 nan 8.290 nan 0.000 0.574 496 K N -0.039 120.411 120.400 0.084 0.000 2.218 496 K HA -0.011 4.309 4.320 -0.000 0.000 0.205 496 K C 0.303 176.946 176.600 0.071 0.000 1.046 496 K CA 1.342 57.728 56.287 0.166 0.000 0.933 496 K CB 0.042 32.636 32.500 0.157 0.000 0.728 496 K HN 0.271 nan 8.250 nan 0.000 0.454 497 D N -2.573 117.819 120.400 -0.013 0.000 3.734 497 D HA 0.106 4.746 4.640 -0.000 0.000 0.350 497 D C -0.111 176.130 176.300 -0.098 0.000 1.511 497 D CA -0.561 53.422 54.000 -0.029 0.000 0.956 497 D CB 0.394 41.185 40.800 -0.015 0.000 1.470 497 D HN -0.243 nan 8.370 nan 0.000 0.598 498 L N 0.570 121.723 121.223 -0.116 0.000 2.693 498 L HA 0.267 4.607 4.340 -0.000 0.000 0.235 498 L C -0.189 176.606 176.870 -0.125 0.000 1.127 498 L CA 0.239 54.986 54.840 -0.156 0.000 0.914 498 L CB -1.177 40.730 42.059 -0.253 0.000 1.193 498 L HN 0.086 nan 8.230 nan 0.000 0.502 499 N N 1.176 119.812 118.700 -0.107 0.000 2.408 499 N HA 0.237 4.977 4.740 -0.000 0.000 0.257 499 N C -0.108 175.326 175.510 -0.127 0.000 1.064 499 N CA -0.175 52.817 53.050 -0.098 0.000 0.952 499 N CB 0.763 39.218 38.487 -0.052 0.000 1.093 499 N HN 0.058 nan 8.380 nan 0.000 0.490 500 L N 1.965 123.097 121.223 -0.151 0.000 2.700 500 L HA -0.019 4.321 4.340 -0.000 0.000 0.276 500 L C -0.197 176.597 176.870 -0.126 0.000 1.200 500 L CA 0.061 54.791 54.840 -0.184 0.000 0.951 500 L CB -0.562 41.370 42.059 -0.211 0.000 1.226 500 L HN 0.192 nan 8.230 nan 0.000 0.489 501 V N 3.766 123.629 119.914 -0.085 0.000 2.427 501 V HA 0.296 4.416 4.120 -0.000 0.000 0.286 501 V C 0.223 176.381 176.094 0.107 0.000 1.034 501 V CA -0.586 61.738 62.300 0.040 0.000 0.893 501 V CB 1.813 33.727 31.823 0.152 0.000 0.982 501 V HN 0.743 nan 8.190 nan 0.000 0.452 502 E N 4.179 124.420 120.200 0.069 0.000 2.212 502 E HA 0.725 5.075 4.350 -0.000 0.000 0.270 502 E C -1.019 175.642 176.600 0.101 0.000 0.956 502 E CA -0.857 55.589 56.400 0.078 0.000 0.825 502 E CB 1.198 30.909 29.700 0.018 0.000 1.167 502 E HN 0.487 nan 8.360 nan 0.000 0.400 503 R N 2.209 122.768 120.500 0.098 0.000 2.604 503 R HA 0.355 4.695 4.340 -0.000 0.000 0.261 503 R C -1.280 175.017 176.300 -0.004 0.000 1.080 503 R CA -0.673 55.424 56.100 -0.005 0.000 0.917 503 R CB 1.625 31.693 30.300 -0.386 0.000 1.252 503 R HN 0.630 nan 8.270 nan 0.000 0.456 504 R N 1.654 122.131 120.500 -0.038 0.000 2.599 504 R HA 0.589 4.929 4.340 -0.000 0.000 0.295 504 R C -0.289 175.937 176.300 -0.124 0.000 0.963 504 R CA -0.950 55.091 56.100 -0.098 0.000 0.883 504 R CB 1.642 31.818 30.300 -0.208 0.000 1.171 504 R HN 0.285 nan 8.270 nan 0.000 0.450 505 I N 1.450 121.959 120.570 -0.101 0.000 2.525 505 I HA 0.265 4.435 4.170 -0.000 0.000 0.301 505 I C 0.435 176.507 176.117 -0.076 0.000 0.992 505 I CA -0.414 60.823 61.300 -0.106 0.000 1.162 505 I CB 1.877 39.813 38.000 -0.106 0.000 1.332 505 I HN 0.690 nan 8.210 nan 0.000 0.458 506 A N 4.989 127.771 122.820 -0.064 0.000 2.993 506 A HA 0.544 4.864 4.320 -0.000 0.000 0.281 506 A C 0.751 178.319 177.584 -0.027 0.000 1.847 506 A CA 0.099 52.116 52.037 -0.033 0.000 1.470 506 A CB -1.318 17.678 19.000 -0.006 0.000 1.028 506 A HN 0.805 nan 8.150 nan 0.000 0.604 507 A N 1.388 124.190 122.820 -0.029 0.000 2.260 507 A HA 0.669 4.989 4.320 -0.000 0.000 0.278 507 A C 0.570 178.146 177.584 -0.014 0.000 1.269 507 A CA 0.372 52.396 52.037 -0.022 0.000 0.824 507 A CB 0.073 19.061 19.000 -0.021 0.000 1.238 507 A HN 1.852 nan 8.150 nan 0.000 0.507 508 V N -1.888 118.018 119.914 -0.013 0.000 2.962 508 V HA 0.702 4.822 4.120 -0.000 0.000 0.313 508 V C -0.735 175.354 176.094 -0.008 0.000 1.099 508 V CA -1.050 61.246 62.300 -0.008 0.000 0.971 508 V CB 1.973 33.792 31.823 -0.007 0.000 1.028 508 V HN 0.869 nan 8.190 nan 0.000 0.430 509 N N 3.074 121.771 118.700 -0.005 0.000 2.314 509 N HA 0.551 5.291 4.740 -0.000 0.000 0.294 509 N C -1.996 173.511 175.510 -0.005 0.000 1.029 509 N CA -1.909 51.138 53.050 -0.005 0.000 0.845 509 N CB 3.094 41.579 38.487 -0.003 0.000 1.321 509 N HN 0.569 nan 8.380 nan 0.000 0.481 510 P HA -0.009 nan 4.420 nan 0.000 0.218 510 P C 0.811 178.109 177.300 -0.004 0.000 1.152 510 P CA 0.854 63.950 63.100 -0.006 0.000 0.826 510 P CB 0.430 32.125 31.700 -0.009 0.000 0.790 511 S N -0.489 115.209 115.700 -0.004 0.000 2.507 511 S HA -0.061 4.409 4.470 -0.000 0.000 0.235 511 S C 0.844 175.444 174.600 -0.001 0.000 0.988 511 S CA 0.651 58.849 58.200 -0.003 0.000 0.944 511 S CB -0.711 62.487 63.200 -0.004 0.000 0.762 511 S HN 0.221 nan 8.310 nan 0.000 0.526 512 D N 0.796 121.196 120.400 -0.000 0.000 2.392 512 D HA 0.299 4.939 4.640 -0.000 0.000 0.228 512 D C -1.995 174.307 176.300 0.004 0.000 1.074 512 D CA -2.562 51.440 54.000 0.002 0.000 0.838 512 D CB 1.542 42.344 40.800 0.003 0.000 1.067 512 D HN -0.113 nan 8.370 nan 0.000 0.511 513 P HA -0.203 nan 4.420 nan 0.000 0.211 513 P C 1.676 178.982 177.300 0.009 0.000 1.181 513 P CA 0.603 63.706 63.100 0.006 0.000 0.929 513 P CB 0.137 31.841 31.700 0.006 0.000 0.789 514 L N 0.352 121.581 121.223 0.011 0.000 1.991 514 L HA -0.221 4.119 4.340 -0.000 0.000 0.221 514 L C 1.745 178.624 176.870 0.015 0.000 1.079 514 L CA 2.086 56.935 54.840 0.015 0.000 0.778 514 L CB -1.745 40.325 42.059 0.017 0.000 0.893 514 L HN -0.127 nan 8.230 nan 0.000 0.437 515 E N -0.854 119.353 120.200 0.012 0.000 2.527 515 E HA -0.084 4.266 4.350 -0.000 0.000 0.204 515 E C 1.408 178.013 176.600 0.008 0.000 1.132 515 E CA 0.930 57.336 56.400 0.011 0.000 0.905 515 E CB -0.406 29.298 29.700 0.007 0.000 0.875 515 E HN 0.630 nan 8.360 nan 0.000 0.548 516 T N -2.329 112.230 114.554 0.009 0.000 2.990 516 T HA 0.025 4.375 4.350 -0.000 0.000 0.250 516 T C 1.463 176.170 174.700 0.011 0.000 1.041 516 T CA 0.362 62.466 62.100 0.007 0.000 1.010 516 T CB 0.311 69.182 68.868 0.006 0.000 1.003 516 T HN 0.078 nan 8.240 nan 0.000 0.499 517 T N 2.484 117.047 114.554 0.015 0.000 3.098 517 T HA 0.048 4.398 4.350 -0.000 0.000 0.266 517 T C 0.770 175.483 174.700 0.021 0.000 1.145 517 T CA 0.672 62.783 62.100 0.019 0.000 1.092 517 T CB -0.105 68.777 68.868 0.023 0.000 0.908 517 T HN 0.431 nan 8.240 nan 0.000 0.526 518 K N 2.006 122.416 120.400 0.017 0.000 2.168 518 K HA 0.280 4.600 4.320 -0.000 0.000 0.258 518 K C -2.823 173.784 176.600 0.012 0.000 1.010 518 K CA -1.873 54.424 56.287 0.017 0.000 0.929 518 K CB 0.067 32.575 32.500 0.013 0.000 0.998 518 K HN -0.053 nan 8.250 nan 0.000 0.479 519 P HA 0.024 nan 4.420 nan 0.000 0.276 519 P C -0.965 176.333 177.300 -0.003 0.000 1.243 519 P CA -0.101 63.001 63.100 0.004 0.000 0.768 519 P CB 0.438 32.140 31.700 0.003 0.000 0.856 520 D N 2.676 123.072 120.400 -0.005 0.000 2.525 520 D HA 0.007 4.647 4.640 -0.000 0.000 0.235 520 D C 0.084 176.374 176.300 -0.016 0.000 1.137 520 D CA 0.911 54.905 54.000 -0.010 0.000 0.868 520 D CB 0.451 41.246 40.800 -0.009 0.000 1.180 520 D HN 0.200 nan 8.370 nan 0.000 0.465 521 M N 1.665 121.253 119.600 -0.020 0.000 2.456 521 M HA 0.229 4.709 4.480 -0.000 0.000 0.324 521 M C -0.587 175.696 176.300 -0.028 0.000 1.124 521 M CA -0.442 54.842 55.300 -0.027 0.000 0.959 521 M CB 1.958 34.538 32.600 -0.032 0.000 1.692 521 M HN 0.281 nan 8.290 nan 0.000 0.444 522 T N 2.128 116.664 114.554 -0.030 0.000 2.829 522 T HA 0.386 4.736 4.350 -0.000 0.000 0.280 522 T C 0.639 175.322 174.700 -0.028 0.000 0.999 522 T CA -0.925 61.159 62.100 -0.028 0.000 0.983 522 T CB 1.154 70.008 68.868 -0.023 0.000 0.968 522 T HN 0.751 nan 8.240 nan 0.000 0.446 523 L N 2.432 123.643 121.223 -0.020 0.000 2.051 523 L HA -0.054 4.286 4.340 -0.000 0.000 0.214 523 L C 2.443 179.295 176.870 -0.029 0.000 1.076 523 L CA 2.145 56.984 54.840 -0.001 0.000 0.758 523 L CB -0.832 41.254 42.059 0.046 0.000 0.890 523 L HN 0.946 nan 8.230 nan 0.000 0.433 524 K N -0.405 119.977 120.400 -0.030 0.000 1.965 524 K HA -0.303 4.017 4.320 -0.000 0.000 0.218 524 K C 2.114 178.689 176.600 -0.042 0.000 1.048 524 K CA 1.875 58.138 56.287 -0.040 0.000 0.960 524 K CB -0.454 32.038 32.500 -0.014 0.000 0.732 524 K HN 0.341 nan 8.250 nan 0.000 0.444 525 E N 0.276 120.459 120.200 -0.028 0.000 2.164 525 E HA -0.284 4.066 4.350 -0.000 0.000 0.206 525 E C 1.566 178.134 176.600 -0.053 0.000 1.032 525 E CA 1.968 58.349 56.400 -0.031 0.000 0.832 525 E CB -0.381 29.298 29.700 -0.035 0.000 0.742 525 E HN 0.474 nan 8.360 nan 0.000 0.460 526 A N 0.093 122.876 122.820 -0.062 0.000 1.841 526 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 526 A C 2.077 179.624 177.584 -0.060 0.000 1.199 526 A CA 1.819 53.810 52.037 -0.076 0.000 0.621 526 A CB -1.009 17.958 19.000 -0.055 0.000 0.835 526 A HN 0.321 nan 8.150 nan 0.000 0.445 527 L N -0.117 121.053 121.223 -0.089 0.000 2.556 527 L HA -0.177 4.163 4.340 -0.000 0.000 0.230 527 L C 2.246 179.164 176.870 0.080 0.000 1.163 527 L CA 1.702 56.461 54.840 -0.134 0.000 0.819 527 L CB -0.451 41.192 42.059 -0.694 0.000 0.939 527 L HN 0.393 nan 8.230 nan 0.000 0.452 528 K N -0.363 120.073 120.400 0.060 0.000 2.067 528 K HA 0.046 4.366 4.320 -0.000 0.000 0.203 528 K C 1.968 178.623 176.600 0.091 0.000 1.048 528 K CA 1.418 57.781 56.287 0.127 0.000 0.954 528 K CB -0.036 32.505 32.500 0.069 0.000 0.737 528 K HN 0.372 nan 8.250 nan 0.000 0.444 529 I N -2.037 118.523 120.570 -0.016 0.000 2.585 529 I HA 0.106 4.276 4.170 -0.000 0.000 0.254 529 I C 2.391 178.426 176.117 -0.138 0.000 1.129 529 I CA 0.636 61.884 61.300 -0.086 0.000 1.455 529 I CB -0.480 37.362 38.000 -0.263 0.000 1.111 529 I HN -0.117 nan 8.210 nan 0.000 0.433 530 A N 1.768 124.465 122.820 -0.205 0.000 1.883 530 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 530 A C 1.864 179.026 177.584 -0.703 0.000 1.186 530 A CA 2.131 53.874 52.037 -0.491 0.000 0.624 530 A CB -0.846 17.821 19.000 -0.554 0.000 0.822 530 A HN 0.562 nan 8.150 nan 0.000 0.444 531 F N -3.387 116.598 119.950 0.058 0.000 2.640 531 F HA 0.451 4.978 4.527 -0.000 0.000 0.285 531 F C 1.688 177.646 175.800 0.262 0.000 1.031 531 F CA 0.561 58.650 58.000 0.149 0.000 1.240 531 F CB 0.569 39.612 39.000 0.072 0.000 1.011 531 F HN 0.384 nan 8.300 nan 0.000 0.656 532 G N -0.010 109.054 108.800 0.441 0.000 2.200 532 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.145 532 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.145 532 G C -0.122 174.977 174.900 0.330 0.000 1.021 532 G CA -0.923 44.375 45.100 0.330 0.000 0.720 532 G HN 0.003 nan 8.290 nan 0.000 0.494 533 F N 2.547 122.639 119.950 0.237 0.000 2.595 533 F HA 0.362 4.889 4.527 -0.000 0.000 0.359 533 F C 1.172 177.034 175.800 0.103 0.000 1.147 533 F CA 0.585 58.699 58.000 0.189 0.000 1.341 533 F CB 0.578 39.619 39.000 0.067 0.000 1.104 533 F HN 0.418 nan 8.300 nan 0.000 0.603 534 N N 0.993 119.826 118.700 0.220 0.000 2.571 534 N HA 0.310 5.050 4.740 -0.000 0.000 0.273 534 N C -1.650 173.942 175.510 0.136 0.000 1.340 534 N CA -0.941 52.193 53.050 0.141 0.000 0.789 534 N CB 1.563 40.092 38.487 0.070 0.000 1.514 534 N HN 0.549 nan 8.380 nan 0.000 0.499 535 E N 0.185 120.446 120.200 0.102 0.000 2.546 535 E HA 0.272 4.622 4.350 -0.000 0.000 0.227 535 E C -1.758 174.883 176.600 0.069 0.000 1.009 535 E CA -1.513 54.942 56.400 0.092 0.000 0.813 535 E CB 1.307 31.057 29.700 0.084 0.000 1.269 535 E HN 0.454 nan 8.360 nan 0.000 0.432 536 P HA -0.130 nan 4.420 nan 0.000 0.211 536 P C 0.169 177.496 177.300 0.045 0.000 1.179 536 P CA 1.241 64.369 63.100 0.047 0.000 0.910 536 P CB 0.262 31.987 31.700 0.042 0.000 0.785 537 N N -2.281 116.447 118.700 0.048 0.000 2.338 537 N HA 0.304 5.044 4.740 -0.000 0.000 0.251 537 N C 0.369 175.908 175.510 0.047 0.000 1.199 537 N CA 0.463 53.539 53.050 0.042 0.000 0.879 537 N CB 0.860 39.369 38.487 0.037 0.000 1.159 537 N HN 0.149 nan 8.380 nan 0.000 0.514 538 G N 1.024 109.858 108.800 0.055 0.000 2.179 538 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.220 538 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.220 538 G C -0.429 174.513 174.900 0.070 0.000 0.990 538 G CA -0.569 44.566 45.100 0.058 0.000 0.646 538 G HN 0.383 nan 8.290 nan 0.000 0.517 539 N N 0.358 119.107 118.700 0.082 0.000 2.446 539 N HA 0.476 5.216 4.740 -0.000 0.000 0.265 539 N C -0.412 175.183 175.510 0.142 0.000 0.975 539 N CA -0.822 52.291 53.050 0.105 0.000 0.928 539 N CB 1.883 40.428 38.487 0.098 0.000 1.160 539 N HN 0.117 nan 8.380 nan 0.000 0.495 540 L N 3.939 125.262 121.223 0.167 0.000 2.574 540 L HA -0.018 4.322 4.340 -0.000 0.000 0.281 540 L C 0.368 177.448 176.870 0.350 0.000 1.212 540 L CA 0.572 55.550 54.840 0.230 0.000 1.082 540 L CB -0.922 41.252 42.059 0.191 0.000 1.362 540 L HN 0.565 nan 8.230 nan 0.000 0.451 541 Q N 2.975 122.962 119.800 0.312 0.000 2.385 541 Q HA 0.391 4.731 4.340 -0.000 0.000 0.262 541 Q C -1.397 174.696 176.000 0.154 0.000 1.050 541 Q CA -0.920 55.070 55.803 0.311 0.000 0.903 541 Q CB 1.405 30.258 28.738 0.192 0.000 1.325 541 Q HN 0.409 nan 8.270 nan 0.000 0.485 542 Y N 0.732 120.917 120.300 -0.192 0.000 2.426 542 Y HA 0.205 4.755 4.550 -0.000 0.000 0.325 542 Y C -0.618 175.182 175.900 -0.166 0.000 0.989 542 Y CA -0.419 57.338 58.100 -0.573 0.000 1.284 542 Y CB 0.877 38.597 38.460 -1.232 0.000 1.104 542 Y HN 0.949 nan 8.280 nan 0.000 0.481 543 Q N 3.871 123.339 119.800 -0.553 0.000 2.426 543 Q HA -0.327 4.013 4.340 -0.000 0.000 0.254 543 Q C 1.038 176.956 176.000 -0.137 0.000 1.017 543 Q CA 1.420 56.996 55.803 -0.378 0.000 1.083 543 Q CB -1.349 27.062 28.738 -0.544 0.000 1.552 543 Q HN 1.238 nan 8.270 nan 0.000 0.532 544 G N -0.711 108.061 108.800 -0.045 0.000 3.330 544 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.197 544 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.197 544 G C -0.213 174.750 174.900 0.105 0.000 1.284 544 G CA -0.261 44.858 45.100 0.031 0.000 0.921 544 G HN 0.145 nan 8.290 nan 0.000 0.466 545 K N 1.769 122.282 120.400 0.187 0.000 2.382 545 K HA 0.358 4.678 4.320 -0.000 0.000 0.275 545 K C -0.731 176.093 176.600 0.373 0.000 1.009 545 K CA -0.102 56.356 56.287 0.285 0.000 0.970 545 K CB 0.991 33.760 32.500 0.449 0.000 0.934 545 K HN 0.316 nan 8.250 nan 0.000 0.479 546 D N 2.439 123.033 120.400 0.323 0.000 2.256 546 D HA -0.007 4.633 4.640 -0.000 0.000 0.250 546 D C 0.926 177.558 176.300 0.553 0.000 1.093 546 D CA -0.411 53.796 54.000 0.345 0.000 0.882 546 D CB 1.054 41.971 40.800 0.194 0.000 1.185 546 D HN 0.374 nan 8.370 nan 0.000 0.437 547 I N 3.565 124.488 120.570 0.589 0.000 2.597 547 I HA -0.283 3.887 4.170 -0.000 0.000 0.262 547 I C 1.940 178.510 176.117 0.755 0.000 1.194 547 I CA 2.006 63.724 61.300 0.697 0.000 1.437 547 I CB -0.425 37.851 38.000 0.459 0.000 1.096 547 I HN 0.533 nan 8.210 nan 0.000 0.451 548 T N -3.589 111.213 114.554 0.414 0.000 3.113 548 T HA 0.063 4.413 4.350 -0.000 0.000 0.256 548 T C 1.355 176.107 174.700 0.087 0.000 1.131 548 T CA 0.502 62.607 62.100 0.008 0.000 1.074 548 T CB -0.448 68.252 68.868 -0.281 0.000 0.944 548 T HN 0.510 nan 8.240 nan 0.000 0.516 549 E N 0.246 120.561 120.200 0.192 0.000 2.465 549 E HA 0.229 4.579 4.350 -0.000 0.000 0.191 549 E C -0.924 175.484 176.600 -0.319 0.000 1.053 549 E CA -0.109 56.214 56.400 -0.129 0.000 0.869 549 E CB 0.129 29.645 29.700 -0.306 0.000 0.977 549 E HN 0.557 nan 8.360 nan 0.000 0.483 550 F N 0.233 120.394 119.950 0.352 0.000 2.551 550 F HA 0.270 4.797 4.527 -0.000 0.000 0.316 550 F C 0.092 176.141 175.800 0.414 0.000 1.089 550 F CA -1.529 56.683 58.000 0.353 0.000 0.915 550 F CB 1.356 40.569 39.000 0.355 0.000 1.186 550 F HN -0.276 nan 8.300 nan 0.000 0.456 551 D N 1.311 121.979 120.400 0.447 0.000 2.256 551 D HA 0.328 4.968 4.640 -0.000 0.000 0.250 551 D C -1.247 175.200 176.300 0.245 0.000 1.093 551 D CA 0.040 54.256 54.000 0.360 0.000 0.882 551 D CB 0.582 41.522 40.800 0.233 0.000 1.185 551 D HN 0.170 nan 8.370 nan 0.000 0.437 552 F N 3.041 122.945 119.950 -0.076 0.000 2.391 552 F HA 0.377 4.904 4.527 -0.000 0.000 0.359 552 F C 0.321 175.773 175.800 -0.580 0.000 1.122 552 F CA -0.666 57.122 58.000 -0.354 0.000 1.120 552 F CB 0.792 39.543 39.000 -0.415 0.000 1.142 552 F HN 0.191 nan 8.300 nan 0.000 0.483 553 N N 4.714 123.116 118.700 -0.496 0.000 2.399 553 N HA 0.388 5.128 4.740 -0.000 0.000 0.280 553 N C -1.155 174.136 175.510 -0.365 0.000 1.008 553 N CA -0.297 52.530 53.050 -0.371 0.000 0.894 553 N CB 1.783 40.229 38.487 -0.069 0.000 1.273 553 N HN 0.189 nan 8.380 nan 0.000 0.486 554 F N 0.050 120.111 119.950 0.185 0.000 2.572 554 F HA 0.342 4.869 4.527 -0.000 0.000 0.342 554 F C 0.920 176.805 175.800 0.141 0.000 1.064 554 F CA -1.098 57.013 58.000 0.186 0.000 1.008 554 F CB 0.620 39.695 39.000 0.125 0.000 1.303 554 F HN 0.374 nan 8.300 nan 0.000 0.492 555 D N -1.114 119.471 120.400 0.308 0.000 2.388 555 D HA 0.182 4.822 4.640 -0.000 0.000 0.254 555 D C 0.875 177.207 176.300 0.054 0.000 1.111 555 D CA -0.612 53.405 54.000 0.028 0.000 0.993 555 D CB 0.510 41.266 40.800 -0.073 0.000 1.118 555 D HN 0.636 nan 8.370 nan 0.000 0.502 556 Q N -0.855 118.935 119.800 -0.017 0.000 2.156 556 Q HA -0.323 4.017 4.340 -0.000 0.000 0.211 556 Q C 1.563 177.572 176.000 0.015 0.000 0.995 556 Q CA 1.818 57.625 55.803 0.005 0.000 0.877 556 Q CB 0.065 28.790 28.738 -0.022 0.000 0.920 556 Q HN 0.501 nan 8.270 nan 0.000 0.416 557 Q N -0.510 119.294 119.800 0.008 0.000 1.896 557 Q HA -0.080 4.260 4.340 -0.000 0.000 0.205 557 Q C 2.250 178.253 176.000 0.005 0.000 0.978 557 Q CA 1.876 57.681 55.803 0.004 0.000 0.850 557 Q CB -1.009 27.730 28.738 0.002 0.000 0.908 557 Q HN 0.372 nan 8.270 nan 0.000 0.431 558 T N 1.664 116.231 114.554 0.021 0.000 2.755 558 T HA -0.226 4.124 4.350 -0.000 0.000 0.266 558 T C 1.965 176.597 174.700 -0.114 0.000 1.041 558 T CA 1.738 63.816 62.100 -0.037 0.000 1.147 558 T CB -0.374 68.524 68.868 0.050 0.000 0.847 558 T HN 0.341 nan 8.240 nan 0.000 0.478 559 S N 0.295 116.018 115.700 0.039 0.000 2.365 559 S HA -0.215 4.255 4.470 -0.000 0.000 0.221 559 S C 2.170 176.759 174.600 -0.019 0.000 1.037 559 S CA 1.437 59.685 58.200 0.080 0.000 1.060 559 S CB -0.341 62.944 63.200 0.141 0.000 0.974 559 S HN 0.431 nan 8.310 nan 0.000 0.427 560 Q N 1.346 121.139 119.800 -0.012 0.000 2.002 560 Q HA -0.134 4.206 4.340 -0.000 0.000 0.204 560 Q C 2.227 178.191 176.000 -0.059 0.000 0.988 560 Q CA 1.402 57.190 55.803 -0.025 0.000 0.843 560 Q CB -1.280 27.448 28.738 -0.017 0.000 0.908 560 Q HN 0.639 nan 8.270 nan 0.000 0.420 561 N N 0.748 119.404 118.700 -0.074 0.000 2.242 561 N HA -0.175 4.565 4.740 -0.000 0.000 0.191 561 N C 1.590 177.023 175.510 -0.128 0.000 1.005 561 N CA 1.085 54.081 53.050 -0.090 0.000 0.877 561 N CB -0.051 38.382 38.487 -0.090 0.000 0.983 561 N HN 0.315 nan 8.380 nan 0.000 0.439 562 I N -0.209 120.248 120.570 -0.188 0.000 2.927 562 I HA -0.080 4.090 4.170 -0.000 0.000 0.268 562 I C 2.366 178.409 176.117 -0.125 0.000 1.153 562 I CA 0.130 61.296 61.300 -0.224 0.000 1.459 562 I CB -0.152 37.567 38.000 -0.469 0.000 1.149 562 I HN 0.035 nan 8.210 nan 0.000 0.443 563 K N 1.544 121.895 120.400 -0.082 0.000 2.057 563 K HA -0.183 4.137 4.320 -0.000 0.000 0.207 563 K C 1.751 178.332 176.600 -0.032 0.000 1.049 563 K CA 1.586 57.855 56.287 -0.030 0.000 0.931 563 K CB -0.021 32.476 32.500 -0.004 0.000 0.714 563 K HN 0.256 nan 8.250 nan 0.000 0.440 564 N N 0.922 119.599 118.700 -0.039 0.000 2.364 564 N HA -0.155 4.585 4.740 -0.000 0.000 0.183 564 N C 1.634 177.123 175.510 -0.035 0.000 1.022 564 N CA 1.135 54.166 53.050 -0.032 0.000 0.883 564 N CB 0.031 38.498 38.487 -0.033 0.000 0.965 564 N HN 0.449 nan 8.380 nan 0.000 0.438 565 Q N 0.293 120.064 119.800 -0.048 0.000 2.089 565 Q HA 0.134 4.474 4.340 -0.000 0.000 0.195 565 Q C 2.093 178.071 176.000 -0.037 0.000 0.963 565 Q CA 0.475 56.251 55.803 -0.046 0.000 0.834 565 Q CB 0.051 28.751 28.738 -0.063 0.000 0.906 565 Q HN 0.299 nan 8.270 nan 0.000 0.452 566 L N 0.383 121.583 121.223 -0.038 0.000 2.353 566 L HA -0.144 4.196 4.340 -0.000 0.000 0.220 566 L C 2.214 179.075 176.870 -0.015 0.000 1.133 566 L CA 0.573 55.398 54.840 -0.026 0.000 0.798 566 L CB -0.449 41.598 42.059 -0.020 0.000 0.922 566 L HN 0.212 nan 8.230 nan 0.000 0.445 567 A N 0.187 122.998 122.820 -0.016 0.000 1.850 567 A HA -0.107 4.213 4.320 -0.000 0.000 0.212 567 A C 1.903 179.481 177.584 -0.010 0.000 1.208 567 A CA 0.700 52.731 52.037 -0.010 0.000 0.609 567 A CB -0.302 18.692 19.000 -0.010 0.000 0.860 567 A HN 0.366 nan 8.150 nan 0.000 0.448 568 E N -0.341 119.851 120.200 -0.013 0.000 2.461 568 E HA 0.109 4.459 4.350 -0.000 0.000 0.196 568 E C 0.159 176.752 176.600 -0.011 0.000 1.129 568 E CA 0.097 56.490 56.400 -0.012 0.000 0.902 568 E CB -0.131 29.561 29.700 -0.014 0.000 0.963 568 E HN 0.544 nan 8.360 nan 0.000 0.503 569 L N 0.063 121.279 121.223 -0.011 0.000 3.259 569 L HA 0.144 4.484 4.340 -0.000 0.000 0.292 569 L C -0.308 176.559 176.870 -0.006 0.000 1.219 569 L CA -0.464 54.370 54.840 -0.010 0.000 1.035 569 L CB 0.264 42.314 42.059 -0.015 0.000 1.424 569 L HN 0.009 nan 8.230 nan 0.000 0.603 570 N N 2.549 121.246 118.700 -0.004 0.000 2.601 570 N HA -0.165 4.575 4.740 -0.000 0.000 0.298 570 N C -0.296 175.215 175.510 0.002 0.000 1.227 570 N CA 1.175 54.225 53.050 -0.000 0.000 0.732 570 N CB -0.262 38.226 38.487 0.001 0.000 0.964 570 N HN 0.482 nan 8.380 nan 0.000 0.549 571 A N 0.642 123.464 122.820 0.003 0.000 2.590 571 A HA 0.589 4.909 4.320 -0.000 0.000 0.294 571 A C 0.516 178.106 177.584 0.011 0.000 1.046 571 A CA 0.088 52.129 52.037 0.007 0.000 0.684 571 A CB 1.286 20.288 19.000 0.004 0.000 1.279 571 A HN 0.322 nan 8.150 nan 0.000 0.415 572 T N -0.280 114.285 114.554 0.019 0.000 2.959 572 T HA 0.159 4.509 4.350 -0.000 0.000 0.254 572 T C 0.250 174.974 174.700 0.040 0.000 1.003 572 T CA 0.653 62.769 62.100 0.027 0.000 0.950 572 T CB -0.354 68.531 68.868 0.029 0.000 1.090 572 T HN 0.574 nan 8.240 nan 0.000 0.503 573 N N 1.911 120.639 118.700 0.046 0.000 2.469 573 N HA 0.233 4.973 4.740 -0.000 0.000 0.253 573 N C 0.829 176.363 175.510 0.039 0.000 0.970 573 N CA -0.169 52.932 53.050 0.085 0.000 0.940 573 N CB 1.177 39.729 38.487 0.108 0.000 1.128 573 N HN 0.351 nan 8.380 nan 0.000 0.503 574 I N 4.134 124.676 120.570 -0.045 0.000 2.394 574 I HA -0.208 3.962 4.170 -0.000 0.000 0.251 574 I C 0.816 176.782 176.117 -0.251 0.000 1.136 574 I CA 1.065 62.245 61.300 -0.199 0.000 1.425 574 I CB 0.075 37.859 38.000 -0.359 0.000 1.079 574 I HN 0.535 nan 8.210 nan 0.000 0.425 575 Y N 0.974 121.164 120.300 -0.183 0.000 2.384 575 Y HA -0.240 4.310 4.550 -0.000 0.000 0.289 575 Y C 2.512 178.371 175.900 -0.069 0.000 1.152 575 Y CA 1.640 59.654 58.100 -0.144 0.000 1.258 575 Y CB -0.876 37.535 38.460 -0.081 0.000 0.979 575 Y HN 0.204 nan 8.280 nan 0.000 0.549 576 T N -0.716 113.888 114.554 0.084 0.000 2.815 576 T HA -0.089 4.261 4.350 -0.000 0.000 0.244 576 T C 1.792 176.499 174.700 0.013 0.000 1.040 576 T CA 1.406 63.536 62.100 0.051 0.000 1.176 576 T CB -0.773 68.121 68.868 0.044 0.000 0.880 576 T HN 0.217 nan 8.240 nan 0.000 0.414 577 V N 1.338 121.246 119.914 -0.010 0.000 3.593 577 V HA 0.160 4.280 4.120 -0.000 0.000 0.275 577 V C 1.953 178.020 176.094 -0.044 0.000 1.237 577 V CA 0.343 62.630 62.300 -0.022 0.000 1.194 577 V CB -1.681 30.126 31.823 -0.026 0.000 0.949 577 V HN 0.185 nan 8.190 nan 0.000 0.467 578 L N 2.917 124.106 121.223 -0.056 0.000 1.978 578 L HA -0.222 4.118 4.340 -0.000 0.000 0.218 578 L C 2.299 179.144 176.870 -0.041 0.000 1.075 578 L CA 2.657 57.449 54.840 -0.080 0.000 0.767 578 L CB -0.819 41.197 42.059 -0.070 0.000 0.890 578 L HN 0.762 nan 8.230 nan 0.000 0.434 579 D N -0.911 119.478 120.400 -0.018 0.000 2.403 579 D HA -0.142 4.498 4.640 -0.000 0.000 0.260 579 D C 0.563 176.855 176.300 -0.013 0.000 1.243 579 D CA 0.441 54.435 54.000 -0.010 0.000 0.918 579 D CB -0.271 40.532 40.800 0.005 0.000 0.939 579 D HN 0.471 nan 8.370 nan 0.000 0.507 580 K N 0.276 120.662 120.400 -0.023 0.000 2.665 580 K HA 0.197 4.517 4.320 -0.000 0.000 0.194 580 K C -0.424 176.155 176.600 -0.034 0.000 1.135 580 K CA -0.478 55.796 56.287 -0.023 0.000 1.089 580 K CB 1.227 33.716 32.500 -0.018 0.000 0.817 580 K HN 0.039 nan 8.250 nan 0.000 0.506 581 I N 2.548 123.093 120.570 -0.041 0.000 2.312 581 I HA 0.210 4.380 4.170 -0.000 0.000 0.290 581 I C -0.009 176.078 176.117 -0.049 0.000 1.008 581 I CA -0.825 60.442 61.300 -0.055 0.000 1.226 581 I CB 0.947 38.907 38.000 -0.066 0.000 1.371 581 I HN -0.134 nan 8.210 nan 0.000 0.468 582 K N 7.294 127.663 120.400 -0.052 0.000 2.316 582 K HA 0.394 4.714 4.320 -0.000 0.000 0.289 582 K C -0.325 176.243 176.600 -0.053 0.000 1.070 582 K CA -0.358 55.903 56.287 -0.045 0.000 0.928 582 K CB 1.042 33.518 32.500 -0.039 0.000 1.039 582 K HN 0.511 nan 8.250 nan 0.000 0.480 583 L N 3.919 125.116 121.223 -0.043 0.000 2.278 583 L HA 0.232 4.572 4.340 -0.000 0.000 0.287 583 L C 0.416 177.266 176.870 -0.033 0.000 1.072 583 L CA -0.245 54.570 54.840 -0.041 0.000 0.819 583 L CB 0.319 42.361 42.059 -0.029 0.000 1.176 583 L HN 0.483 nan 8.230 nan 0.000 0.435 584 N N 1.783 120.462 118.700 -0.034 0.000 2.456 584 N HA 0.551 5.291 4.740 -0.000 0.000 0.296 584 N C -0.144 175.357 175.510 -0.014 0.000 1.102 584 N CA -0.790 52.245 53.050 -0.024 0.000 0.924 584 N CB 1.702 40.172 38.487 -0.027 0.000 1.186 584 N HN 0.675 nan 8.380 nan 0.000 0.492 585 A N 1.338 124.151 122.820 -0.010 0.000 2.583 585 A HA -0.013 4.307 4.320 -0.000 0.000 0.231 585 A C 0.650 178.237 177.584 0.004 0.000 1.065 585 A CA 0.540 52.574 52.037 -0.005 0.000 0.760 585 A CB -0.112 18.886 19.000 -0.005 0.000 1.001 585 A HN 0.989 nan 8.150 nan 0.000 0.509 586 K N -1.330 119.079 120.400 0.014 0.000 3.500 586 K HA -0.188 4.132 4.320 -0.000 0.000 0.313 586 K C 0.186 176.816 176.600 0.050 0.000 1.338 586 K CA 1.352 57.658 56.287 0.032 0.000 0.963 586 K CB -1.759 30.755 32.500 0.022 0.000 1.267 586 K HN 0.785 nan 8.250 nan 0.000 0.448 587 M N 1.677 121.302 119.600 0.041 0.000 2.217 587 M HA 0.131 4.611 4.480 -0.000 0.000 0.354 587 M C -0.583 175.785 176.300 0.114 0.000 1.225 587 M CA 0.453 55.787 55.300 0.056 0.000 1.137 587 M CB 0.537 33.146 32.600 0.015 0.000 1.576 587 M HN 0.115 nan 8.290 nan 0.000 0.461 588 N N 5.589 124.405 118.700 0.193 0.000 2.314 588 N HA 0.612 5.352 4.740 -0.000 0.000 0.294 588 N C -1.595 174.128 175.510 0.355 0.000 1.029 588 N CA -0.682 52.539 53.050 0.285 0.000 0.845 588 N CB 2.025 40.798 38.487 0.477 0.000 1.321 588 N HN 0.529 nan 8.380 nan 0.000 0.481 589 I N 1.935 122.642 120.570 0.229 0.000 2.619 589 I HA 0.290 4.460 4.170 -0.000 0.000 0.292 589 I C -1.348 174.729 176.117 -0.066 0.000 1.100 589 I CA -0.850 60.574 61.300 0.206 0.000 1.043 589 I CB 2.379 40.509 38.000 0.218 0.000 1.239 589 I HN 0.273 nan 8.210 nan 0.000 0.420 590 L N 7.680 128.805 121.223 -0.164 0.000 2.337 590 L HA 0.514 4.854 4.340 -0.000 0.000 0.269 590 L C -0.968 175.700 176.870 -0.337 0.000 1.018 590 L CA -0.258 54.416 54.840 -0.276 0.000 0.876 590 L CB 0.687 42.607 42.059 -0.232 0.000 1.236 590 L HN 0.318 nan 8.230 nan 0.000 0.436 591 I N 5.861 126.211 120.570 -0.366 0.000 2.291 591 I HA 0.365 4.535 4.170 -0.000 0.000 0.290 591 I C 0.238 176.322 176.117 -0.055 0.000 1.050 591 I CA -0.096 61.001 61.300 -0.338 0.000 1.245 591 I CB 0.470 38.163 38.000 -0.511 0.000 1.405 591 I HN 0.663 nan 8.210 nan 0.000 0.478 592 R N 3.405 123.938 120.500 0.055 0.000 2.740 592 R HA 0.464 4.804 4.340 -0.000 0.000 0.282 592 R C -0.459 176.134 176.300 0.488 0.000 0.969 592 R CA -0.884 55.294 56.100 0.130 0.000 0.918 592 R CB 1.964 32.117 30.300 -0.246 0.000 1.175 592 R HN 0.375 nan 8.270 nan 0.000 0.464 593 D N 1.908 122.639 120.400 0.552 0.000 2.533 593 D HA -0.080 4.560 4.640 -0.000 0.000 0.236 593 D C 0.137 176.609 176.300 0.287 0.000 1.137 593 D CA 0.542 54.716 54.000 0.291 0.000 0.867 593 D CB 1.115 42.121 40.800 0.343 0.000 1.170 593 D HN 0.659 nan 8.370 nan 0.000 0.474 594 K N 3.569 123.996 120.400 0.044 0.000 2.432 594 K HA -0.027 4.293 4.320 -0.000 0.000 0.196 594 K C 1.853 178.447 176.600 -0.011 0.000 1.038 594 K CA 0.144 56.482 56.287 0.086 0.000 0.986 594 K CB 0.348 32.877 32.500 0.048 0.000 0.782 594 K HN 0.365 nan 8.250 nan 0.000 0.485 595 R N 0.014 120.430 120.500 -0.141 0.000 2.082 595 R HA -0.072 4.268 4.340 -0.000 0.000 0.228 595 R C 0.504 176.583 176.300 -0.367 0.000 1.140 595 R CA 1.167 57.044 56.100 -0.373 0.000 0.920 595 R CB -0.419 29.415 30.300 -0.777 0.000 0.828 595 R HN 0.004 nan 8.270 nan 0.000 0.430 596 F N 0.339 120.182 119.950 -0.177 0.000 2.403 596 F HA 0.175 4.702 4.527 -0.000 0.000 0.320 596 F C 1.180 176.765 175.800 -0.358 0.000 1.176 596 F CA -0.420 57.410 58.000 -0.284 0.000 1.206 596 F CB 0.035 38.828 39.000 -0.344 0.000 1.235 596 F HN 0.012 nan 8.300 nan 0.000 0.565 597 H N -0.993 117.952 119.070 -0.207 0.000 2.544 597 H HA 0.334 4.890 4.556 -0.000 0.000 0.365 597 H C -1.232 173.840 175.328 -0.426 0.000 1.268 597 H CA -0.555 55.358 56.048 -0.226 0.000 1.400 597 H CB 0.854 30.570 29.762 -0.077 0.000 1.538 597 H HN 0.429 nan 8.280 nan 0.000 0.597 598 Y N 0.368 120.774 120.300 0.177 0.000 2.545 598 Y HA 0.080 4.630 4.550 -0.000 0.000 0.348 598 Y C 0.197 176.141 175.900 0.074 0.000 1.002 598 Y CA -1.051 57.109 58.100 0.101 0.000 1.039 598 Y CB 1.263 39.770 38.460 0.078 0.000 1.271 598 Y HN 0.727 nan 8.280 nan 0.000 0.467 599 D N 0.301 120.851 120.400 0.251 0.000 2.406 599 D HA 0.188 4.828 4.640 -0.000 0.000 0.288 599 D C 1.092 177.470 176.300 0.131 0.000 1.186 599 D CA -0.202 53.887 54.000 0.149 0.000 1.098 599 D CB 0.301 41.162 40.800 0.102 0.000 1.160 599 D HN 0.499 nan 8.370 nan 0.000 0.561 600 R N -1.082 119.475 120.500 0.094 0.000 2.173 600 R HA 0.092 4.432 4.340 -0.000 0.000 0.208 600 R C 0.574 176.913 176.300 0.066 0.000 1.035 600 R CA 0.440 56.588 56.100 0.080 0.000 1.004 600 R CB -0.071 30.261 30.300 0.052 0.000 0.917 600 R HN 0.305 nan 8.270 nan 0.000 0.462 601 N N 0.888 119.623 118.700 0.057 0.000 2.270 601 N HA 0.065 4.805 4.740 -0.000 0.000 0.198 601 N C -0.858 174.675 175.510 0.039 0.000 1.117 601 N CA 0.018 53.093 53.050 0.042 0.000 0.845 601 N CB 0.499 38.999 38.487 0.023 0.000 0.980 601 N HN 0.115 nan 8.380 nan 0.000 0.486 602 N N 0.522 119.249 118.700 0.046 0.000 2.726 602 N HA -0.162 4.578 4.740 -0.000 0.000 0.253 602 N C -1.092 174.409 175.510 -0.016 0.000 1.059 602 N CA 0.718 53.741 53.050 -0.045 0.000 0.701 602 N CB -1.317 37.103 38.487 -0.112 0.000 0.899 602 N HN 0.364 nan 8.380 nan 0.000 0.548 603 I N -0.711 119.948 120.570 0.148 0.000 2.797 603 I HA 0.536 4.706 4.170 -0.000 0.000 0.307 603 I C 0.893 177.164 176.117 0.258 0.000 1.033 603 I CA -1.262 60.120 61.300 0.137 0.000 1.071 603 I CB 1.707 39.737 38.000 0.050 0.000 1.255 603 I HN 0.133 nan 8.210 nan 0.000 0.445 604 A N 4.017 126.896 122.820 0.098 0.000 2.535 604 A HA 0.305 4.625 4.320 -0.000 0.000 0.290 604 A C 0.832 178.362 177.584 -0.089 0.000 1.270 604 A CA -0.109 51.872 52.037 -0.095 0.000 0.937 604 A CB -0.589 18.242 19.000 -0.283 0.000 1.096 604 A HN 0.613 nan 8.150 nan 0.000 0.534 605 V N 2.949 122.827 119.914 -0.061 0.000 2.365 605 V HA 0.423 4.543 4.120 -0.000 0.000 0.232 605 V C 1.347 177.420 176.094 -0.036 0.000 1.065 605 V CA 1.130 63.417 62.300 -0.022 0.000 1.054 605 V CB -1.031 30.811 31.823 0.033 0.000 0.685 605 V HN 1.113 nan 8.190 nan 0.000 0.480 606 G N -1.329 107.449 108.800 -0.036 0.000 2.717 606 G HA2 0.646 4.606 3.960 -0.000 0.000 0.300 606 G HA3 0.646 4.606 3.960 -0.000 0.000 0.300 606 G C -0.716 174.054 174.900 -0.216 0.000 1.424 606 G CA 0.111 45.178 45.100 -0.055 0.000 1.033 606 G HN 0.530 nan 8.290 nan 0.000 0.577 607 A N 1.478 124.215 122.820 -0.138 0.000 2.599 607 A HA 0.756 5.076 4.320 -0.000 0.000 0.257 607 A C 0.129 177.439 177.584 -0.458 0.000 1.641 607 A CA -0.411 51.424 52.037 -0.336 0.000 0.842 607 A CB 0.310 19.130 19.000 -0.301 0.000 1.599 607 A HN 0.568 nan 8.150 nan 0.000 0.585 608 D N -0.527 119.693 120.400 -0.301 0.000 2.253 608 D HA 0.228 4.868 4.640 -0.000 0.000 0.249 608 D C 0.848 177.079 176.300 -0.115 0.000 1.049 608 D CA -0.177 53.715 54.000 -0.181 0.000 0.929 608 D CB 0.978 41.731 40.800 -0.078 0.000 1.176 608 D HN 0.571 nan 8.370 nan 0.000 0.437 609 E N 0.602 120.755 120.200 -0.078 0.000 2.136 609 E HA -0.205 4.145 4.350 -0.000 0.000 0.202 609 E C 1.708 178.285 176.600 -0.039 0.000 1.019 609 E CA 1.346 57.716 56.400 -0.051 0.000 0.819 609 E CB 0.046 29.723 29.700 -0.040 0.000 0.739 609 E HN 0.287 nan 8.360 nan 0.000 0.458 610 S N 0.694 116.369 115.700 -0.042 0.000 2.444 610 S HA -0.208 4.262 4.470 -0.000 0.000 0.225 610 S C 2.257 176.837 174.600 -0.033 0.000 1.042 610 S CA 1.589 59.768 58.200 -0.035 0.000 1.132 610 S CB -0.636 62.538 63.200 -0.042 0.000 1.099 610 S HN 0.101 nan 8.310 nan 0.000 0.417 611 V N 1.910 121.784 119.914 -0.066 0.000 2.317 611 V HA -0.218 3.902 4.120 -0.000 0.000 0.251 611 V C 2.311 178.401 176.094 -0.006 0.000 1.065 611 V CA 1.832 64.085 62.300 -0.078 0.000 1.049 611 V CB -1.153 30.557 31.823 -0.188 0.000 0.651 611 V HN 0.326 nan 8.190 nan 0.000 0.450 612 V N -0.181 119.737 119.914 0.007 0.000 2.220 612 V HA -0.336 3.784 4.120 -0.000 0.000 0.246 612 V C 2.463 178.656 176.094 0.164 0.000 1.049 612 V CA 2.478 64.836 62.300 0.097 0.000 1.003 612 V CB -0.814 31.028 31.823 0.032 0.000 0.634 612 V HN 0.529 nan 8.190 nan 0.000 0.444 613 K N -0.247 120.187 120.400 0.056 0.000 2.034 613 K HA -0.316 4.004 4.320 -0.000 0.000 0.214 613 K C 2.174 178.864 176.600 0.150 0.000 1.051 613 K CA 2.120 58.443 56.287 0.060 0.000 0.931 613 K CB -0.366 32.147 32.500 0.021 0.000 0.715 613 K HN 0.447 nan 8.250 nan 0.000 0.446 614 E N 1.073 121.332 120.200 0.098 0.000 2.068 614 E HA -0.260 4.090 4.350 -0.000 0.000 0.207 614 E C 1.794 178.462 176.600 0.113 0.000 1.032 614 E CA 2.056 58.504 56.400 0.080 0.000 0.839 614 E CB -0.408 29.312 29.700 0.033 0.000 0.758 614 E HN 0.326 nan 8.360 nan 0.000 0.457 615 A N -0.644 122.260 122.820 0.140 0.000 2.084 615 A HA -0.220 4.100 4.320 -0.000 0.000 0.221 615 A C 1.547 179.118 177.584 -0.022 0.000 1.161 615 A CA 2.102 54.175 52.037 0.060 0.000 0.653 615 A CB -0.853 18.166 19.000 0.033 0.000 0.802 615 A HN 0.495 nan 8.150 nan 0.000 0.457 616 H N -2.038 117.066 119.070 0.058 0.000 2.622 616 H HA 0.185 4.741 4.556 -0.000 0.000 0.269 616 H C 1.728 177.097 175.328 0.068 0.000 0.977 616 H CA 0.457 56.542 56.048 0.062 0.000 1.179 616 H CB -0.049 29.755 29.762 0.070 0.000 1.458 616 H HN 0.517 nan 8.280 nan 0.000 0.531 617 R N 1.385 121.983 120.500 0.164 0.000 2.185 617 R HA -0.130 4.210 4.340 -0.000 0.000 0.247 617 R C -0.277 176.077 176.300 0.091 0.000 1.159 617 R CA 1.035 57.198 56.100 0.105 0.000 0.988 617 R CB 0.004 30.343 30.300 0.067 0.000 0.871 617 R HN 0.435 nan 8.270 nan 0.000 0.458 618 E N 0.368 120.615 120.200 0.079 0.000 2.283 618 E HA 0.230 4.580 4.350 -0.000 0.000 0.278 618 E C -1.116 175.534 176.600 0.082 0.000 1.027 618 E CA -0.438 55.999 56.400 0.062 0.000 0.843 618 E CB 2.091 31.811 29.700 0.033 0.000 1.062 618 E HN -0.056 nan 8.360 nan 0.000 0.401 619 V N 4.060 124.026 119.914 0.086 0.000 2.876 619 V HA 0.237 4.357 4.120 -0.000 0.000 0.312 619 V C 0.261 176.396 176.094 0.068 0.000 1.085 619 V CA -0.600 61.763 62.300 0.105 0.000 0.945 619 V CB 1.861 33.791 31.823 0.179 0.000 1.017 619 V HN 0.681 nan 8.190 nan 0.000 0.428 620 I N 1.414 122.017 120.570 0.056 0.000 4.197 620 I HA 0.304 4.474 4.170 -0.000 0.000 0.307 620 I C 0.404 176.548 176.117 0.044 0.000 1.236 620 I CA 0.748 62.072 61.300 0.040 0.000 1.321 620 I CB 0.417 38.432 38.000 0.025 0.000 1.309 620 I HN 0.715 nan 8.210 nan 0.000 0.450 621 N N 0.989 119.721 118.700 0.053 0.000 2.648 621 N HA 0.128 4.868 4.740 -0.000 0.000 0.272 621 N C -1.544 174.009 175.510 0.072 0.000 1.118 621 N CA 0.163 53.248 53.050 0.060 0.000 0.973 621 N CB 1.882 40.397 38.487 0.047 0.000 1.565 621 N HN -0.225 nan 8.380 nan 0.000 0.542 622 S N 1.273 117.031 115.700 0.098 0.000 2.480 622 S HA 0.636 5.106 4.470 -0.000 0.000 0.286 622 S C -0.343 174.331 174.600 0.124 0.000 1.180 622 S CA -0.411 57.865 58.200 0.126 0.000 1.075 622 S CB 1.374 64.698 63.200 0.207 0.000 0.996 622 S HN 0.580 nan 8.310 nan 0.000 0.487 623 S N 0.757 116.553 115.700 0.161 0.000 2.607 623 S HA 0.463 4.933 4.470 -0.000 0.000 0.273 623 S C 0.854 175.594 174.600 0.234 0.000 1.148 623 S CA -0.360 57.938 58.200 0.164 0.000 0.833 623 S CB 1.132 64.422 63.200 0.151 0.000 1.130 623 S HN 0.752 nan 8.310 nan 0.000 0.470 624 T N -0.108 114.545 114.554 0.165 0.000 3.160 624 T HA 0.212 4.562 4.350 -0.000 0.000 0.257 624 T C 0.817 175.680 174.700 0.270 0.000 1.147 624 T CA 0.842 63.030 62.100 0.146 0.000 1.064 624 T CB -0.306 68.612 68.868 0.083 0.000 0.949 624 T HN 0.635 nan 8.240 nan 0.000 0.526 625 E N 0.718 121.096 120.200 0.297 0.000 2.152 625 E HA 0.449 4.799 4.350 -0.000 0.000 0.195 625 E C 0.964 177.625 176.600 0.101 0.000 0.934 625 E CA 0.091 56.637 56.400 0.244 0.000 0.869 625 E CB 0.501 30.304 29.700 0.171 0.000 0.842 625 E HN 0.550 nan 8.360 nan 0.000 0.472 626 G N 0.632 109.406 108.800 -0.044 0.000 2.596 626 G HA2 0.392 4.352 3.960 -0.000 0.000 0.296 626 G HA3 0.392 4.352 3.960 -0.000 0.000 0.296 626 G C -1.400 173.290 174.900 -0.350 0.000 1.513 626 G CA -0.913 43.746 45.100 -0.736 0.000 0.851 626 G HN -0.039 nan 8.290 nan 0.000 0.548 627 L N 0.761 121.655 121.223 -0.548 0.000 2.397 627 L HA 0.545 4.885 4.340 -0.000 0.000 0.271 627 L C -0.210 176.573 176.870 -0.146 0.000 1.148 627 L CA -0.777 53.888 54.840 -0.291 0.000 0.825 627 L CB 1.382 43.144 42.059 -0.495 0.000 1.117 627 L HN 0.414 nan 8.230 nan 0.000 0.456 628 L N 4.099 125.327 121.223 0.009 0.000 2.316 628 L HA 0.567 4.907 4.340 -0.000 0.000 0.280 628 L C -0.927 175.956 176.870 0.022 0.000 1.006 628 L CA -0.051 54.852 54.840 0.105 0.000 0.836 628 L CB 1.143 43.284 42.059 0.137 0.000 1.221 628 L HN 0.331 nan 8.230 nan 0.000 0.418 629 L N 3.728 124.952 121.223 0.001 0.000 2.256 629 L HA 0.575 4.915 4.340 -0.000 0.000 0.261 629 L C 0.220 177.086 176.870 -0.006 0.000 1.022 629 L CA -0.422 54.412 54.840 -0.010 0.000 0.828 629 L CB 1.562 43.596 42.059 -0.042 0.000 1.374 629 L HN 0.568 nan 8.230 nan 0.000 0.436 630 N N 0.113 118.805 118.700 -0.013 0.000 2.610 630 N HA 0.388 5.128 4.740 -0.000 0.000 0.309 630 N C -0.648 174.839 175.510 -0.038 0.000 1.536 630 N CA -0.169 52.873 53.050 -0.014 0.000 0.954 630 N CB -0.152 38.333 38.487 -0.003 0.000 1.310 630 N HN 0.467 nan 8.380 nan 0.000 0.502 631 I N 0.013 120.536 120.570 -0.079 0.000 2.880 631 I HA -0.118 4.052 4.170 -0.000 0.000 0.296 631 I C 0.773 176.844 176.117 -0.075 0.000 1.220 631 I CA 0.178 61.387 61.300 -0.152 0.000 1.435 631 I CB 0.228 38.082 38.000 -0.242 0.000 1.339 631 I HN 0.334 nan 8.210 nan 0.000 0.583 632 D N 5.499 125.860 120.400 -0.065 0.000 2.425 632 D HA -0.003 4.637 4.640 -0.000 0.000 0.247 632 D C 0.979 177.291 176.300 0.021 0.000 1.147 632 D CA -0.129 53.869 54.000 -0.002 0.000 0.879 632 D CB 0.915 41.729 40.800 0.024 0.000 1.179 632 D HN 0.265 nan 8.370 nan 0.000 0.456 633 K N 3.032 123.451 120.400 0.031 0.000 1.991 633 K HA -0.156 4.164 4.320 -0.000 0.000 0.212 633 K C 1.366 177.995 176.600 0.050 0.000 1.049 633 K CA 1.476 57.783 56.287 0.033 0.000 0.932 633 K CB -0.532 31.985 32.500 0.028 0.000 0.717 633 K HN 0.533 nan 8.250 nan 0.000 0.441 634 D N 0.695 121.146 120.400 0.085 0.000 2.203 634 D HA -0.155 4.485 4.640 -0.000 0.000 0.199 634 D C 1.807 178.233 176.300 0.210 0.000 0.997 634 D CA 0.890 54.968 54.000 0.131 0.000 0.863 634 D CB -0.000 40.964 40.800 0.273 0.000 0.928 634 D HN 0.103 nan 8.370 nan 0.000 0.458 635 I N 0.556 121.263 120.570 0.229 0.000 2.260 635 I HA -0.089 4.081 4.170 -0.000 0.000 0.237 635 I C 2.429 178.637 176.117 0.151 0.000 1.075 635 I CA 0.740 62.201 61.300 0.268 0.000 1.376 635 I CB -1.191 36.918 38.000 0.181 0.000 1.107 635 I HN 0.096 nan 8.210 nan 0.000 0.420 636 R N 1.948 122.503 120.500 0.092 0.000 2.198 636 R HA -0.274 4.066 4.340 -0.000 0.000 0.258 636 R C 1.944 178.265 176.300 0.035 0.000 1.173 636 R CA 2.250 58.392 56.100 0.070 0.000 0.991 636 R CB -0.834 29.493 30.300 0.044 0.000 0.879 636 R HN 0.291 nan 8.270 nan 0.000 0.460 637 K N 1.633 122.039 120.400 0.010 0.000 2.442 637 K HA -0.034 4.286 4.320 -0.000 0.000 0.198 637 K C 1.606 178.174 176.600 -0.053 0.000 1.042 637 K CA 1.159 57.425 56.287 -0.036 0.000 0.958 637 K CB -0.013 32.438 32.500 -0.080 0.000 0.766 637 K HN 0.647 nan 8.250 nan 0.000 0.474 638 I N -1.249 119.311 120.570 -0.017 0.000 3.914 638 I HA 0.238 4.408 4.170 -0.000 0.000 0.333 638 I C -0.836 175.281 176.117 -0.001 0.000 1.449 638 I CA -0.675 60.616 61.300 -0.015 0.000 1.135 638 I CB 0.361 38.385 38.000 0.039 0.000 1.073 638 I HN -0.174 nan 8.210 nan 0.000 0.401 639 L N 1.120 122.336 121.223 -0.010 0.000 2.313 639 L HA 0.363 4.703 4.340 -0.000 0.000 0.283 639 L C 1.300 178.112 176.870 -0.096 0.000 1.013 639 L CA 0.170 54.978 54.840 -0.054 0.000 0.816 639 L CB 1.548 43.568 42.059 -0.066 0.000 1.236 639 L HN 0.165 nan 8.230 nan 0.000 0.419 640 S N 2.251 117.896 115.700 -0.092 0.000 2.362 640 S HA 0.278 4.748 4.470 -0.000 0.000 0.221 640 S C 0.682 175.236 174.600 -0.077 0.000 1.032 640 S CA 0.878 59.050 58.200 -0.046 0.000 0.973 640 S CB 0.383 63.572 63.200 -0.020 0.000 0.849 640 S HN 0.915 nan 8.310 nan 0.000 0.465 641 G N -1.232 107.452 108.800 -0.194 0.000 2.489 641 G HA2 0.518 4.478 3.960 -0.000 0.000 0.305 641 G HA3 0.518 4.478 3.960 -0.000 0.000 0.305 641 G C -2.249 172.407 174.900 -0.408 0.000 1.311 641 G CA -0.711 44.213 45.100 -0.294 0.000 0.813 641 G HN 0.187 nan 8.290 nan 0.000 0.480 642 Y N -0.686 119.668 120.300 0.091 0.000 2.462 642 Y HA 0.665 5.215 4.550 -0.000 0.000 0.346 642 Y C 0.228 176.186 175.900 0.097 0.000 0.976 642 Y CA -1.030 57.125 58.100 0.092 0.000 1.044 642 Y CB 2.178 40.675 38.460 0.061 0.000 1.230 642 Y HN 0.376 nan 8.280 nan 0.000 0.455 643 I N 3.791 124.533 120.570 0.287 0.000 2.307 643 I HA 0.321 4.491 4.170 -0.000 0.000 0.289 643 I C -0.782 175.396 176.117 0.102 0.000 1.021 643 I CA -0.866 60.552 61.300 0.196 0.000 1.224 643 I CB 0.855 39.013 38.000 0.263 0.000 1.376 643 I HN 0.239 nan 8.210 nan 0.000 0.470 644 V N 6.997 126.975 119.914 0.106 0.000 2.432 644 V HA 0.283 4.403 4.120 -0.000 0.000 0.271 644 V C 0.266 176.353 176.094 -0.011 0.000 1.046 644 V CA -0.212 62.126 62.300 0.063 0.000 0.945 644 V CB 0.769 32.721 31.823 0.215 0.000 0.992 644 V HN 0.907 nan 8.190 nan 0.000 0.471 645 E N 5.367 125.505 120.200 -0.104 0.000 2.442 645 E HA 0.811 5.161 4.350 -0.000 0.000 0.261 645 E C -1.342 175.200 176.600 -0.096 0.000 0.935 645 E CA -1.087 55.268 56.400 -0.075 0.000 0.856 645 E CB 2.445 32.118 29.700 -0.044 0.000 1.571 645 E HN 0.395 nan 8.360 nan 0.000 0.431 646 I N 0.642 121.174 120.570 -0.062 0.000 2.571 646 I HA 0.217 4.387 4.170 -0.000 0.000 0.286 646 I C -1.184 174.874 176.117 -0.099 0.000 1.134 646 I CA -0.551 60.711 61.300 -0.063 0.000 1.052 646 I CB 2.157 40.145 38.000 -0.020 0.000 1.237 646 I HN 0.611 nan 8.210 nan 0.000 0.435 647 E N 6.276 126.417 120.200 -0.099 0.000 2.146 647 E HA 0.127 4.477 4.350 -0.000 0.000 0.282 647 E C -0.768 175.676 176.600 -0.259 0.000 0.989 647 E CA -0.555 55.771 56.400 -0.124 0.000 0.799 647 E CB 1.247 30.919 29.700 -0.046 0.000 1.088 647 E HN 0.515 nan 8.360 nan 0.000 0.397 648 D N 2.674 122.857 120.400 -0.361 0.000 2.368 648 D HA -0.067 4.573 4.640 -0.000 0.000 0.240 648 D C 1.032 177.194 176.300 -0.230 0.000 1.169 648 D CA 0.320 53.991 54.000 -0.549 0.000 0.906 648 D CB 1.401 41.956 40.800 -0.408 0.000 1.187 648 D HN 0.636 nan 8.370 nan 0.000 0.435 649 T N -0.179 114.307 114.554 -0.113 0.000 2.996 649 T HA -0.191 4.159 4.350 -0.000 0.000 0.271 649 T C 1.358 176.054 174.700 -0.006 0.000 1.126 649 T CA 1.415 63.531 62.100 0.025 0.000 1.103 649 T CB 0.047 68.981 68.868 0.110 0.000 0.870 649 T HN 0.590 nan 8.240 nan 0.000 0.528 650 E N 1.335 121.509 120.200 -0.042 0.000 2.110 650 E HA 0.299 4.649 4.350 -0.000 0.000 0.193 650 E C 1.326 177.906 176.600 -0.033 0.000 0.950 650 E CA 0.579 56.961 56.400 -0.030 0.000 0.840 650 E CB 0.177 29.858 29.700 -0.032 0.000 0.809 650 E HN 0.559 nan 8.360 nan 0.000 0.465 651 G N 1.261 110.029 108.800 -0.054 0.000 3.198 651 G HA2 0.080 4.040 3.960 -0.000 0.000 0.228 651 G HA3 0.080 4.040 3.960 -0.000 0.000 0.228 651 G C -0.589 174.284 174.900 -0.046 0.000 1.499 651 G CA -0.556 44.520 45.100 -0.040 0.000 1.104 651 G HN 0.060 nan 8.290 nan 0.000 0.563 652 L N 0.390 121.566 121.223 -0.079 0.000 2.379 652 L HA 0.580 4.920 4.340 -0.000 0.000 0.269 652 L C 0.339 177.177 176.870 -0.054 0.000 1.084 652 L CA -0.808 53.988 54.840 -0.074 0.000 0.802 652 L CB 1.318 43.309 42.059 -0.114 0.000 1.175 652 L HN -0.127 nan 8.230 nan 0.000 0.448 653 K N 2.455 122.840 120.400 -0.025 0.000 3.082 653 K HA 0.259 4.579 4.320 -0.000 0.000 0.203 653 K C -0.671 175.934 176.600 0.008 0.000 1.177 653 K CA -0.142 56.150 56.287 0.009 0.000 1.041 653 K CB 0.481 33.000 32.500 0.032 0.000 1.312 653 K HN 0.539 nan 8.250 nan 0.000 0.526 654 E N 1.050 121.239 120.200 -0.018 0.000 2.257 654 E HA 0.149 4.499 4.350 -0.000 0.000 0.278 654 E C -0.316 176.288 176.600 0.006 0.000 1.049 654 E CA -0.198 56.197 56.400 -0.008 0.000 0.876 654 E CB 1.204 30.891 29.700 -0.021 0.000 1.035 654 E HN -0.073 nan 8.360 nan 0.000 0.419 655 V N 5.171 125.097 119.914 0.021 0.000 2.513 655 V HA 0.153 4.273 4.120 -0.000 0.000 0.299 655 V C 1.013 177.121 176.094 0.023 0.000 1.035 655 V CA -0.682 61.635 62.300 0.027 0.000 0.889 655 V CB 1.358 33.210 31.823 0.048 0.000 0.988 655 V HN 0.615 nan 8.190 nan 0.000 0.440 656 I N 2.913 123.500 120.570 0.028 0.000 2.623 656 I HA -0.026 4.144 4.170 -0.000 0.000 0.214 656 I C 1.334 177.461 176.117 0.016 0.000 1.055 656 I CA 0.797 62.123 61.300 0.043 0.000 1.386 656 I CB -0.781 37.267 38.000 0.080 0.000 1.217 656 I HN 0.838 nan 8.210 nan 0.000 0.405 657 N N 2.850 121.556 118.700 0.010 0.000 2.410 657 N HA -0.110 4.630 4.740 -0.000 0.000 0.281 657 N C -0.126 175.319 175.510 -0.109 0.000 1.241 657 N CA 0.259 53.230 53.050 -0.132 0.000 0.998 657 N CB 0.277 38.626 38.487 -0.230 0.000 1.376 657 N HN 0.394 nan 8.380 nan 0.000 0.490 658 D N 1.436 121.780 120.400 -0.093 0.000 2.339 658 D HA 0.044 4.684 4.640 -0.000 0.000 0.217 658 D C -0.145 176.110 176.300 -0.076 0.000 1.050 658 D CA -0.004 53.965 54.000 -0.051 0.000 0.856 658 D CB 0.445 41.231 40.800 -0.023 0.000 0.922 658 D HN 0.383 nan 8.370 nan 0.000 0.518 659 R N 0.153 120.552 120.500 -0.168 0.000 2.368 659 R HA 0.152 4.492 4.340 -0.000 0.000 0.302 659 R C 0.770 176.934 176.300 -0.227 0.000 1.002 659 R CA -0.601 55.366 56.100 -0.221 0.000 0.929 659 R CB 0.670 30.771 30.300 -0.332 0.000 1.073 659 R HN 0.198 nan 8.270 nan 0.000 0.464 660 Y N 1.353 121.616 120.300 -0.062 0.000 2.219 660 Y HA -0.267 4.283 4.550 -0.000 0.000 0.283 660 Y C 0.877 176.734 175.900 -0.071 0.000 1.191 660 Y CA 1.832 59.917 58.100 -0.024 0.000 1.199 660 Y CB -0.545 37.924 38.460 0.015 0.000 0.972 660 Y HN 0.618 nan 8.280 nan 0.000 0.527 661 D N -0.494 119.560 120.400 -0.577 0.000 2.328 661 D HA 0.023 4.663 4.640 -0.000 0.000 0.226 661 D C 0.829 176.919 176.300 -0.351 0.000 1.066 661 D CA 0.410 54.153 54.000 -0.428 0.000 0.861 661 D CB -0.529 39.939 40.800 -0.553 0.000 0.912 661 D HN 0.515 nan 8.370 nan 0.000 0.521 662 M N 0.237 119.581 119.600 -0.427 0.000 2.673 662 M HA 0.284 4.764 4.480 -0.000 0.000 0.334 662 M C 0.630 176.717 176.300 -0.355 0.000 1.211 662 M CA -0.089 54.730 55.300 -0.803 0.000 0.962 662 M CB 0.580 32.511 32.600 -1.115 0.000 1.343 662 M HN 0.045 nan 8.290 nan 0.000 0.511 663 L N -0.444 120.725 121.223 -0.090 0.000 2.446 663 L HA 0.070 4.410 4.340 -0.000 0.000 0.219 663 L C 1.376 178.313 176.870 0.111 0.000 1.116 663 L CA 0.133 54.999 54.840 0.043 0.000 0.844 663 L CB -0.304 41.798 42.059 0.072 0.000 0.970 663 L HN 0.388 nan 8.230 nan 0.000 0.457 664 N N 2.000 120.785 118.700 0.142 0.000 2.454 664 N HA -0.011 4.729 4.740 -0.000 0.000 0.285 664 N C 0.479 176.080 175.510 0.151 0.000 1.233 664 N CA 0.357 53.484 53.050 0.128 0.000 1.036 664 N CB 0.495 39.040 38.487 0.097 0.000 1.423 664 N HN 0.459 nan 8.380 nan 0.000 0.495 665 I N -0.387 120.238 120.570 0.091 0.000 3.990 665 I HA 0.170 4.340 4.170 -0.000 0.000 0.275 665 I C 0.388 176.486 176.117 -0.030 0.000 1.157 665 I CA -0.463 60.848 61.300 0.018 0.000 1.338 665 I CB -0.629 37.415 38.000 0.073 0.000 1.588 665 I HN 0.191 nan 8.210 nan 0.000 0.441 666 S N 3.068 118.805 115.700 0.061 0.000 2.737 666 S HA 0.191 4.661 4.470 -0.000 0.000 0.315 666 S C 0.220 174.834 174.600 0.023 0.000 1.236 666 S CA -0.338 57.913 58.200 0.085 0.000 1.093 666 S CB -0.086 63.238 63.200 0.205 0.000 0.832 666 S HN 0.454 nan 8.310 nan 0.000 0.507 667 S N 2.366 118.066 115.700 0.000 0.000 2.623 667 S HA 0.825 5.295 4.470 -0.000 0.000 0.287 667 S C -0.556 174.093 174.600 0.081 0.000 1.123 667 S CA -0.859 57.371 58.200 0.050 0.000 1.016 667 S CB 0.661 63.930 63.200 0.114 0.000 1.233 667 S HN 0.961 nan 8.310 nan 0.000 0.512 668 L N 1.418 122.696 121.223 0.091 0.000 2.849 668 L HA 0.369 4.709 4.340 -0.000 0.000 0.256 668 L C -1.056 175.841 176.870 0.045 0.000 0.951 668 L CA -0.073 54.808 54.840 0.068 0.000 1.003 668 L CB 0.929 43.012 42.059 0.040 0.000 1.408 668 L HN 0.522 nan 8.230 nan 0.000 0.463 669 R N 2.071 122.594 120.500 0.037 0.000 2.641 669 R HA 0.247 4.587 4.340 -0.000 0.000 0.269 669 R C 0.651 176.945 176.300 -0.009 0.000 1.074 669 R CA 0.068 56.165 56.100 -0.006 0.000 1.133 669 R CB 0.574 30.851 30.300 -0.039 0.000 1.029 669 R HN 0.685 nan 8.270 nan 0.000 0.488 670 Q N 0.706 120.494 119.800 -0.020 0.000 2.541 670 Q HA -0.116 4.224 4.340 -0.000 0.000 0.215 670 Q C 0.100 176.089 176.000 -0.019 0.000 0.977 670 Q CA 1.611 57.403 55.803 -0.019 0.000 0.934 670 Q CB -0.141 28.583 28.738 -0.025 0.000 0.988 670 Q HN 0.694 nan 8.270 nan 0.000 0.521 671 D N -1.334 119.054 120.400 -0.020 0.000 2.339 671 D HA 0.169 4.809 4.640 -0.000 0.000 0.217 671 D C 1.104 177.398 176.300 -0.011 0.000 1.050 671 D CA 0.432 54.420 54.000 -0.019 0.000 0.856 671 D CB 0.024 40.807 40.800 -0.027 0.000 0.922 671 D HN 0.297 nan 8.370 nan 0.000 0.518 672 G N -0.086 108.710 108.800 -0.006 0.000 2.141 672 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.231 672 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.231 672 G C -0.093 174.809 174.900 0.004 0.000 0.984 672 G CA -0.085 45.015 45.100 0.000 0.000 0.660 672 G HN 0.419 nan 8.290 nan 0.000 0.525 673 K N 1.070 121.474 120.400 0.008 0.000 2.274 673 K HA 0.505 4.825 4.320 -0.000 0.000 0.262 673 K C -0.187 176.440 176.600 0.045 0.000 0.961 673 K CA -0.523 55.774 56.287 0.017 0.000 0.833 673 K CB 1.514 34.021 32.500 0.011 0.000 1.102 673 K HN 0.072 nan 8.250 nan 0.000 0.436 674 T N 3.286 117.866 114.554 0.043 0.000 2.769 674 T HA 0.062 4.412 4.350 -0.000 0.000 0.293 674 T C -0.616 174.145 174.700 0.101 0.000 0.931 674 T CA 0.051 62.191 62.100 0.066 0.000 1.139 674 T CB -0.224 68.674 68.868 0.050 0.000 0.881 674 T HN 0.270 nan 8.240 nan 0.000 0.532 675 F N 5.893 125.811 119.950 -0.054 0.000 2.361 675 F HA 0.536 5.063 4.527 -0.000 0.000 0.364 675 F C -0.371 175.357 175.800 -0.121 0.000 1.120 675 F CA -1.873 56.070 58.000 -0.095 0.000 1.102 675 F CB 0.046 38.995 39.000 -0.085 0.000 1.183 675 F HN 0.424 nan 8.300 nan 0.000 0.476 676 I N 4.338 124.482 120.570 -0.710 0.000 2.713 676 I HA 0.285 4.455 4.170 -0.000 0.000 0.300 676 I C -0.811 174.522 176.117 -1.306 0.000 1.009 676 I CA -0.501 60.328 61.300 -0.786 0.000 1.305 676 I CB 1.493 39.107 38.000 -0.643 0.000 1.430 676 I HN 0.511 nan 8.210 nan 0.000 0.546 677 D N 2.224 122.039 120.400 -0.976 0.000 2.970 677 D HA 0.339 4.979 4.640 -0.000 0.000 0.230 677 D C -0.199 175.752 176.300 -0.581 0.000 1.276 677 D CA -0.425 53.051 54.000 -0.872 0.000 0.910 677 D CB 1.104 41.554 40.800 -0.583 0.000 1.590 677 D HN 0.246 nan 8.370 nan 0.000 0.551 678 F N 1.998 121.869 119.950 -0.133 0.000 2.473 678 F HA 0.213 4.740 4.527 -0.000 0.000 0.294 678 F C 2.149 177.940 175.800 -0.015 0.000 1.103 678 F CA 0.161 58.135 58.000 -0.044 0.000 1.442 678 F CB -0.224 38.757 39.000 -0.032 0.000 1.097 678 F HN 0.278 nan 8.300 nan 0.000 0.547 679 K N 0.894 121.354 120.400 0.100 0.000 2.152 679 K HA -0.212 4.108 4.320 -0.000 0.000 0.206 679 K C 1.950 178.533 176.600 -0.027 0.000 1.048 679 K CA 1.219 57.539 56.287 0.055 0.000 0.933 679 K CB -0.280 32.241 32.500 0.036 0.000 0.721 679 K HN 0.182 nan 8.250 nan 0.000 0.447 680 K N 0.161 120.480 120.400 -0.135 0.000 2.360 680 K HA -0.156 4.164 4.320 -0.000 0.000 0.201 680 K C -0.193 176.114 176.600 -0.490 0.000 1.046 680 K CA 1.142 57.227 56.287 -0.336 0.000 0.940 680 K CB 0.149 32.371 32.500 -0.464 0.000 0.748 680 K HN 0.107 nan 8.250 nan 0.000 0.465 681 Y N -0.476 119.835 120.300 0.018 0.000 2.558 681 Y HA 0.244 4.794 4.550 -0.000 0.000 0.316 681 Y C -0.860 175.062 175.900 0.035 0.000 0.967 681 Y CA -1.119 56.993 58.100 0.020 0.000 1.126 681 Y CB 0.577 39.047 38.460 0.017 0.000 1.155 681 Y HN 0.002 nan 8.280 nan 0.000 0.628 682 N N 0.983 119.772 118.700 0.147 0.000 2.861 682 N HA 0.069 4.809 4.740 -0.000 0.000 0.203 682 N C -1.159 174.389 175.510 0.064 0.000 1.339 682 N CA 0.060 53.174 53.050 0.106 0.000 1.208 682 N CB 0.095 38.652 38.487 0.118 0.000 1.579 682 N HN 0.254 nan 8.380 nan 0.000 0.583 683 D N 1.825 122.256 120.400 0.051 0.000 2.751 683 D HA -0.230 4.410 4.640 -0.000 0.000 0.233 683 D C -0.262 176.050 176.300 0.021 0.000 1.149 683 D CA 1.294 55.311 54.000 0.028 0.000 0.682 683 D CB -0.455 40.354 40.800 0.015 0.000 1.068 683 D HN 0.768 nan 8.370 nan 0.000 0.429 684 K N -2.212 118.199 120.400 0.017 0.000 3.274 684 K HA -0.236 4.084 4.320 -0.000 0.000 0.305 684 K C 0.433 177.048 176.600 0.026 0.000 1.225 684 K CA 0.937 57.230 56.287 0.010 0.000 0.904 684 K CB -0.978 31.522 32.500 0.001 0.000 1.227 684 K HN 0.447 nan 8.250 nan 0.000 0.453 685 L N 1.093 122.339 121.223 0.039 0.000 2.325 685 L HA 0.437 4.777 4.340 -0.000 0.000 0.278 685 L C -1.649 175.268 176.870 0.077 0.000 1.023 685 L CA -2.451 52.418 54.840 0.049 0.000 0.811 685 L CB 1.010 43.090 42.059 0.034 0.000 1.249 685 L HN -0.178 nan 8.230 nan 0.000 0.431 686 P HA -0.002 nan 4.420 nan 0.000 0.272 686 P C -0.174 177.198 177.300 0.120 0.000 1.248 686 P CA -0.349 62.823 63.100 0.120 0.000 0.799 686 P CB 0.672 32.436 31.700 0.107 0.000 0.997 687 L N -0.523 120.766 121.223 0.110 0.000 2.503 687 L HA -0.056 4.284 4.340 -0.000 0.000 0.287 687 L C 0.678 177.629 176.870 0.135 0.000 1.252 687 L CA 0.376 55.255 54.840 0.064 0.000 0.835 687 L CB -0.492 41.529 42.059 -0.062 0.000 1.099 687 L HN 0.425 nan 8.230 nan 0.000 0.516 688 Y N 2.944 123.237 120.300 -0.011 0.000 2.447 688 Y HA 0.473 5.023 4.550 -0.000 0.000 0.325 688 Y C -0.408 175.489 175.900 -0.006 0.000 0.976 688 Y CA -1.020 57.080 58.100 0.000 0.000 1.280 688 Y CB 0.577 39.047 38.460 0.016 0.000 1.104 688 Y HN 0.291 nan 8.280 nan 0.000 0.486 689 I N 5.544 125.919 120.570 -0.325 0.000 2.377 689 I HA 0.142 4.312 4.170 -0.000 0.000 0.282 689 I C 1.132 176.912 176.117 -0.561 0.000 1.091 689 I CA -0.204 60.852 61.300 -0.407 0.000 1.207 689 I CB 1.143 39.005 38.000 -0.230 0.000 1.429 689 I HN 0.653 nan 8.210 nan 0.000 0.491 690 S N 4.158 119.383 115.700 -0.792 0.000 2.423 690 S HA -0.052 4.418 4.470 -0.000 0.000 0.231 690 S C 0.898 175.241 174.600 -0.428 0.000 1.014 690 S CA 1.116 58.974 58.200 -0.569 0.000 0.965 690 S CB -0.004 62.939 63.200 -0.427 0.000 0.785 690 S HN 0.695 nan 8.310 nan 0.000 0.495 691 N N 0.607 118.899 118.700 -0.680 0.000 2.581 691 N HA 0.268 5.008 4.740 -0.000 0.000 0.279 691 N C -3.119 171.978 175.510 -0.690 0.000 1.124 691 N CA -1.586 51.062 53.050 -0.669 0.000 0.833 691 N CB 1.982 40.018 38.487 -0.752 0.000 1.338 691 N HN 0.057 nan 8.380 nan 0.000 0.533 692 P HA 0.161 nan 4.420 nan 0.000 0.246 692 P C -0.740 176.559 177.300 -0.002 0.000 1.675 692 P CA 0.212 63.221 63.100 -0.153 0.000 0.908 692 P CB -0.426 31.238 31.700 -0.060 0.000 1.890 693 N N -1.873 116.777 118.700 -0.083 0.000 2.081 693 N HA 0.121 4.861 4.740 -0.000 0.000 0.230 693 N C 0.302 175.944 175.510 0.220 0.000 1.351 693 N CA -0.291 52.830 53.050 0.118 0.000 0.840 693 N CB 0.126 38.642 38.487 0.048 0.000 1.189 693 N HN 0.242 nan 8.380 nan 0.000 0.503 694 Y N 1.216 121.526 120.300 0.016 0.000 2.557 694 Y HA 0.326 4.876 4.550 -0.000 0.000 0.436 694 Y C 0.384 176.267 175.900 -0.029 0.000 1.403 694 Y CA -0.610 57.480 58.100 -0.016 0.000 1.960 694 Y CB 0.599 39.031 38.460 -0.046 0.000 1.785 694 Y HN -0.381 nan 8.280 nan 0.000 0.640 695 K N 0.755 121.240 120.400 0.141 0.000 2.705 695 K HA 0.257 4.577 4.320 -0.000 0.000 0.238 695 K C -1.702 174.891 176.600 -0.012 0.000 0.996 695 K CA -0.368 55.934 56.287 0.024 0.000 1.007 695 K CB 1.793 34.292 32.500 -0.002 0.000 1.206 695 K HN 0.211 nan 8.250 nan 0.000 0.488 696 V N 3.626 123.527 119.914 -0.022 0.000 2.382 696 V HA -0.037 4.083 4.120 -0.000 0.000 0.250 696 V C 0.130 176.198 176.094 -0.045 0.000 1.069 696 V CA -0.053 62.210 62.300 -0.061 0.000 1.130 696 V CB -0.760 31.009 31.823 -0.090 0.000 1.165 696 V HN 0.601 nan 8.190 nan 0.000 0.483 697 N N 4.202 122.818 118.700 -0.140 0.000 2.415 697 N HA 0.239 4.979 4.740 -0.000 0.000 0.246 697 N C -0.537 174.671 175.510 -0.503 0.000 1.078 697 N CA -0.107 52.767 53.050 -0.294 0.000 0.942 697 N CB 1.913 40.192 38.487 -0.347 0.000 1.140 697 N HN 0.362 nan 8.380 nan 0.000 0.501 698 V N 4.587 124.329 119.914 -0.287 0.000 2.311 698 V HA 0.282 4.402 4.120 -0.000 0.000 0.275 698 V C -0.410 175.585 176.094 -0.165 0.000 1.022 698 V CA -0.664 61.516 62.300 -0.201 0.000 0.830 698 V CB -0.278 31.537 31.823 -0.013 0.000 1.012 698 V HN 0.408 nan 8.190 nan 0.000 0.452 699 Y N 2.488 122.864 120.300 0.126 0.000 2.408 699 Y HA 0.792 5.342 4.550 -0.000 0.000 0.324 699 Y C 0.597 176.655 175.900 0.263 0.000 1.302 699 Y CA -1.173 57.001 58.100 0.124 0.000 1.384 699 Y CB 0.984 39.499 38.460 0.090 0.000 1.367 699 Y HN 0.622 nan 8.280 nan 0.000 0.525 700 A N 0.163 123.229 122.820 0.409 0.000 2.386 700 A HA 0.780 5.100 4.320 -0.000 0.000 0.311 700 A C -1.749 175.929 177.584 0.156 0.000 1.068 700 A CA -0.702 51.573 52.037 0.397 0.000 0.743 700 A CB 1.099 20.306 19.000 0.345 0.000 1.258 700 A HN 0.458 nan 8.150 nan 0.000 0.429 701 V N 2.570 122.512 119.914 0.047 0.000 2.376 701 V HA 0.425 4.545 4.120 -0.000 0.000 0.287 701 V C 0.605 176.685 176.094 -0.025 0.000 1.015 701 V CA -0.252 62.056 62.300 0.015 0.000 0.834 701 V CB 1.260 33.099 31.823 0.028 0.000 1.001 701 V HN 1.107 nan 8.190 nan 0.000 0.428 702 T N 1.529 116.072 114.554 -0.018 0.000 2.900 702 T HA 0.205 4.555 4.350 -0.000 0.000 0.307 702 T C 1.142 175.819 174.700 -0.038 0.000 1.065 702 T CA -0.277 61.807 62.100 -0.026 0.000 1.105 702 T CB 1.056 69.903 68.868 -0.035 0.000 0.979 702 T HN 0.600 nan 8.240 nan 0.000 0.544 703 K N 1.109 121.483 120.400 -0.043 0.000 2.020 703 K HA -0.217 4.103 4.320 -0.000 0.000 0.212 703 K C 2.483 179.052 176.600 -0.053 0.000 1.050 703 K CA 2.160 58.413 56.287 -0.057 0.000 0.929 703 K CB -0.305 32.164 32.500 -0.051 0.000 0.714 703 K HN 0.948 nan 8.250 nan 0.000 0.443 704 E N 0.753 120.935 120.200 -0.029 0.000 2.187 704 E HA -0.257 4.093 4.350 -0.000 0.000 0.199 704 E C 1.487 178.076 176.600 -0.019 0.000 1.004 704 E CA 1.480 57.874 56.400 -0.010 0.000 0.813 704 E CB -0.204 29.511 29.700 0.025 0.000 0.736 704 E HN 0.291 nan 8.360 nan 0.000 0.468 705 N N 0.503 119.186 118.700 -0.027 0.000 2.349 705 N HA -0.052 4.688 4.740 -0.000 0.000 0.180 705 N C 0.749 176.234 175.510 -0.041 0.000 1.024 705 N CA 0.973 54.006 53.050 -0.028 0.000 0.869 705 N CB -0.449 38.025 38.487 -0.021 0.000 1.022 705 N HN 0.148 nan 8.380 nan 0.000 0.433 706 T N 2.228 116.753 114.554 -0.048 0.000 2.902 706 T HA 0.044 4.394 4.350 -0.000 0.000 0.317 706 T C 0.487 175.126 174.700 -0.102 0.000 1.064 706 T CA 0.112 62.178 62.100 -0.056 0.000 1.130 706 T CB -0.138 68.678 68.868 -0.086 0.000 1.073 706 T HN 0.166 nan 8.240 nan 0.000 0.524 707 I N 2.537 123.061 120.570 -0.076 0.000 2.707 707 I HA 0.558 4.728 4.170 -0.000 0.000 0.309 707 I C 0.479 176.480 176.117 -0.192 0.000 1.001 707 I CA -1.153 60.059 61.300 -0.146 0.000 1.129 707 I CB 1.663 39.580 38.000 -0.138 0.000 1.308 707 I HN 0.565 nan 8.210 nan 0.000 0.466 708 I N -0.531 119.848 120.570 -0.319 0.000 4.526 708 I HA 0.474 4.644 4.170 -0.000 0.000 0.330 708 I C -0.332 175.399 176.117 -0.643 0.000 1.323 708 I CA -0.147 60.979 61.300 -0.289 0.000 1.218 708 I CB -0.753 37.122 38.000 -0.209 0.000 1.233 708 I HN 0.604 nan 8.210 nan 0.000 0.430 709 N N 0.579 118.812 118.700 -0.778 0.000 2.329 709 N HA 0.624 5.364 4.740 -0.000 0.000 0.282 709 N C -2.808 172.354 175.510 -0.579 0.000 1.198 709 N CA -1.260 51.365 53.050 -0.708 0.000 0.790 709 N CB 1.621 39.898 38.487 -0.350 0.000 1.579 709 N HN -0.201 nan 8.380 nan 0.000 0.475 710 P HA 0.113 nan 4.420 nan 0.000 0.270 710 P C -0.394 176.860 177.300 -0.075 0.000 1.227 710 P CA 0.044 63.122 63.100 -0.038 0.000 0.788 710 P CB 0.481 32.228 31.700 0.079 0.000 0.926 711 S N 0.719 116.401 115.700 -0.031 0.000 2.641 711 S HA 0.015 4.485 4.470 -0.000 0.000 0.261 711 S C 1.408 175.991 174.600 -0.027 0.000 1.257 711 S CA -0.579 57.600 58.200 -0.036 0.000 0.983 711 S CB 0.071 63.260 63.200 -0.018 0.000 0.990 711 S HN 0.450 nan 8.310 nan 0.000 0.572 712 E N 1.329 121.514 120.200 -0.026 0.000 2.279 712 E HA -0.232 4.118 4.350 -0.000 0.000 0.205 712 E C 1.069 177.663 176.600 -0.011 0.000 1.028 712 E CA 1.837 58.224 56.400 -0.020 0.000 0.830 712 E CB -0.583 29.108 29.700 -0.017 0.000 0.736 712 E HN 0.674 nan 8.360 nan 0.000 0.478 713 N N -0.874 117.823 118.700 -0.005 0.000 1.746 713 N HA 0.157 4.897 4.740 -0.000 0.000 0.227 713 N C 1.169 176.684 175.510 0.009 0.000 1.154 713 N CA 0.604 53.655 53.050 0.002 0.000 1.033 713 N CB -0.512 37.978 38.487 0.004 0.000 1.387 713 N HN -0.011 nan 8.380 nan 0.000 0.443 714 G N -1.545 107.264 108.800 0.016 0.000 5.021 714 G HA2 0.143 4.103 3.960 -0.000 0.000 0.254 714 G HA3 0.143 4.103 3.960 -0.000 0.000 0.254 714 G C -1.184 173.740 174.900 0.039 0.000 0.932 714 G CA -0.327 44.790 45.100 0.028 0.000 0.743 714 G HN 0.240 nan 8.290 nan 0.000 0.441 715 D N 2.121 122.544 120.400 0.038 0.000 2.429 715 D HA 0.125 4.765 4.640 -0.000 0.000 0.253 715 D C 1.696 178.053 176.300 0.095 0.000 1.294 715 D CA 0.375 54.403 54.000 0.046 0.000 1.063 715 D CB 1.044 41.862 40.800 0.031 0.000 1.096 715 D HN 0.312 nan 8.370 nan 0.000 0.516 716 T N -1.778 112.830 114.554 0.090 0.000 3.272 716 T HA 0.081 4.431 4.350 -0.000 0.000 0.250 716 T C 0.839 175.578 174.700 0.064 0.000 1.082 716 T CA -0.611 61.562 62.100 0.122 0.000 0.968 716 T CB -0.162 68.699 68.868 -0.013 0.000 1.015 716 T HN 0.159 nan 8.240 nan 0.000 0.563 717 S N 0.840 116.580 115.700 0.068 0.000 2.707 717 S HA 0.411 4.881 4.470 -0.000 0.000 0.276 717 S C 1.035 175.675 174.600 0.067 0.000 1.179 717 S CA -0.157 58.068 58.200 0.040 0.000 0.992 717 S CB 1.140 64.356 63.200 0.026 0.000 1.030 717 S HN 0.410 nan 8.310 nan 0.000 0.554 718 T N -1.796 112.787 114.554 0.049 0.000 3.278 718 T HA 0.161 4.511 4.350 -0.000 0.000 0.251 718 T C 1.020 175.747 174.700 0.045 0.000 1.039 718 T CA -0.063 62.073 62.100 0.061 0.000 0.935 718 T CB -0.779 68.129 68.868 0.067 0.000 1.034 718 T HN 0.603 nan 8.240 nan 0.000 0.575 719 N N 2.787 121.507 118.700 0.034 0.000 2.004 719 N HA -0.023 4.717 4.740 -0.000 0.000 0.196 719 N C 1.370 176.886 175.510 0.009 0.000 1.064 719 N CA 1.692 54.753 53.050 0.019 0.000 0.855 719 N CB -0.849 37.648 38.487 0.015 0.000 1.056 719 N HN 0.502 nan 8.380 nan 0.000 0.423 720 G N 0.345 109.150 108.800 0.008 0.000 2.916 720 G HA2 0.451 4.411 3.960 -0.000 0.000 0.280 720 G HA3 0.451 4.411 3.960 -0.000 0.000 0.280 720 G C -0.569 174.329 174.900 -0.004 0.000 0.758 720 G CA -0.162 44.936 45.100 -0.003 0.000 1.993 720 G HN 0.339 nan 8.290 nan 0.000 0.564 721 I N -0.268 120.297 120.570 -0.008 0.000 3.095 721 I HA 0.406 4.576 4.170 -0.000 0.000 0.310 721 I C -0.312 175.787 176.117 -0.030 0.000 1.196 721 I CA -1.101 60.194 61.300 -0.009 0.000 0.985 721 I CB 3.041 41.049 38.000 0.014 0.000 1.250 721 I HN 0.117 nan 8.210 nan 0.000 0.446 722 K N 4.355 124.737 120.400 -0.031 0.000 2.602 722 K HA 0.239 4.559 4.320 -0.000 0.000 0.201 722 K C -0.412 176.157 176.600 -0.052 0.000 1.070 722 K CA -0.621 55.637 56.287 -0.047 0.000 1.026 722 K CB 0.376 32.855 32.500 -0.034 0.000 1.534 722 K HN 0.454 nan 8.250 nan 0.000 0.560 723 K N 2.261 122.612 120.400 -0.081 0.000 2.117 723 K HA 0.348 4.668 4.320 -0.000 0.000 0.240 723 K C -0.297 176.237 176.600 -0.109 0.000 1.031 723 K CA -0.372 55.878 56.287 -0.062 0.000 0.909 723 K CB 0.856 33.335 32.500 -0.035 0.000 1.097 723 K HN 0.287 nan 8.250 nan 0.000 0.492 724 I N 0.992 121.547 120.570 -0.026 0.000 2.533 724 I HA 0.222 4.392 4.170 -0.000 0.000 0.290 724 I C -0.261 175.915 176.117 0.099 0.000 1.056 724 I CA -1.187 60.100 61.300 -0.022 0.000 1.057 724 I CB 2.148 40.139 38.000 -0.015 0.000 1.240 724 I HN 0.506 nan 8.210 nan 0.000 0.423 725 L N 6.115 127.398 121.223 0.100 0.000 2.562 725 L HA 0.085 4.425 4.340 -0.000 0.000 0.271 725 L C 0.120 177.066 176.870 0.128 0.000 1.167 725 L CA 0.579 55.580 54.840 0.269 0.000 0.917 725 L CB 0.443 42.608 42.059 0.176 0.000 1.187 725 L HN 0.633 nan 8.230 nan 0.000 0.482 726 I N 5.487 126.136 120.570 0.131 0.000 4.244 726 I HA 0.281 4.451 4.170 -0.000 0.000 0.318 726 I C -0.148 176.071 176.117 0.170 0.000 1.282 726 I CA 0.366 61.677 61.300 0.018 0.000 1.276 726 I CB 0.344 38.239 38.000 -0.175 0.000 1.183 726 I HN 0.429 nan 8.210 nan 0.000 0.431 727 F N -0.649 119.274 119.950 -0.046 0.000 2.629 727 F HA 0.669 5.196 4.527 -0.000 0.000 0.316 727 F C -0.071 175.695 175.800 -0.056 0.000 1.081 727 F CA -0.964 57.006 58.000 -0.049 0.000 0.954 727 F CB 1.985 40.947 39.000 -0.063 0.000 1.337 727 F HN -0.363 nan 8.300 nan 0.000 0.474 728 S N 3.487 118.908 115.700 -0.465 0.000 2.927 728 S HA 0.251 4.721 4.470 -0.000 0.000 0.136 728 S C -1.659 172.707 174.600 -0.390 0.000 0.831 728 S CA -0.709 57.324 58.200 -0.278 0.000 0.882 728 S CB -0.407 62.710 63.200 -0.137 0.000 1.612 728 S HN 0.463 nan 8.310 nan 0.000 0.579 729 K N 1.813 121.939 120.400 -0.457 0.000 2.139 729 K HA 0.582 4.902 4.320 -0.000 0.000 0.243 729 K C 0.099 176.577 176.600 -0.202 0.000 0.983 729 K CA -0.845 55.226 56.287 -0.359 0.000 0.890 729 K CB 0.657 32.941 32.500 -0.361 0.000 1.090 729 K HN 0.300 nan 8.250 nan 0.000 0.445 730 K N 0.063 120.302 120.400 -0.268 0.000 2.102 730 K HA 0.187 4.507 4.320 -0.000 0.000 0.244 730 K C 1.528 178.010 176.600 -0.197 0.000 1.021 730 K CA -0.148 55.995 56.287 -0.240 0.000 0.913 730 K CB 0.484 32.697 32.500 -0.477 0.000 1.062 730 K HN 0.812 nan 8.250 nan 0.000 0.485 731 G N 0.578 109.353 108.800 -0.043 0.000 2.432 731 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.219 731 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.219 731 G C 1.191 176.104 174.900 0.022 0.000 1.135 731 G CA 1.066 46.157 45.100 -0.015 0.000 0.767 731 G HN 0.679 nan 8.290 nan 0.000 0.550 732 Y N -0.453 119.818 120.300 -0.049 0.000 2.511 732 Y HA 0.425 4.975 4.550 -0.000 0.000 0.279 732 Y C 1.540 177.430 175.900 -0.016 0.000 1.157 732 Y CA -0.228 57.851 58.100 -0.036 0.000 1.300 732 Y CB -0.140 38.297 38.460 -0.038 0.000 1.052 732 Y HN 0.227 nan 8.280 nan 0.000 0.529 733 E N 0.771 120.702 120.200 -0.449 0.000 2.349 733 E HA 0.283 4.633 4.350 -0.000 0.000 0.201 733 E C 0.358 176.887 176.600 -0.118 0.000 1.087 733 E CA 0.073 56.276 56.400 -0.329 0.000 1.128 733 E CB 0.078 29.498 29.700 -0.466 0.000 1.188 733 E HN 0.619 nan 8.360 nan 0.000 0.445 734 I N -1.612 118.930 120.570 -0.046 0.000 3.357 734 I HA 0.326 4.496 4.170 -0.000 0.000 0.267 734 I C 0.869 177.008 176.117 0.036 0.000 1.061 734 I CA -0.212 61.104 61.300 0.026 0.000 1.727 734 I CB 1.132 39.158 38.000 0.042 0.000 1.756 734 I HN 0.123 nan 8.210 nan 0.000 0.402 735 G N 0.000 108.818 108.800 0.030 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 45.121 45.100 0.035 0.000 0.502 735 G HN 0.000 nan 8.290 nan 0.000 0.925