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_F 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 4.378 4.120 -0.001 0.000 0.304 175 V C -1.802 174.282 176.094 -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 63.417 63.100 -0.008 0.000 0.763 176 P CB 0.211 31.911 31.700 -0.001 0.000 0.790 177 D N 1.707 122.099 120.400 -0.013 0.000 2.362 177 D HA 0.102 4.741 4.640 -0.001 0.000 0.232 177 D C 0.747 177.047 176.300 0.000 0.000 1.329 177 D CA -0.437 53.552 54.000 -0.019 0.000 0.944 177 D CB 0.666 41.439 40.800 -0.045 0.000 1.471 177 D HN 0.011 nan 8.370 nan 0.000 0.533 178 R N 1.379 121.885 120.500 0.010 0.000 2.062 178 R HA -0.036 4.304 4.340 -0.001 0.000 0.231 178 R C 1.348 177.673 176.300 0.041 0.000 1.136 178 R CA 1.871 57.985 56.100 0.022 0.000 0.948 178 R CB -0.333 29.981 30.300 0.022 0.000 0.845 178 R HN 0.456 nan 8.270 nan 0.000 0.430 179 D N 0.144 120.571 120.400 0.045 0.000 2.203 179 D HA -0.285 4.354 4.640 -0.001 0.000 0.199 179 D C 0.642 177.021 176.300 0.131 0.000 0.997 179 D CA 1.557 55.607 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 4.503 4.740 -0.001 0.000 0.249 180 N C -0.010 175.560 175.510 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 -1.868 118.533 120.400 0.001 0.000 2.234 181 D HA 0.197 4.837 4.640 -0.001 0.000 0.205 181 D C 1.647 177.834 176.300 -0.189 0.000 0.962 181 D CA 1.335 55.244 54.000 -0.152 0.000 0.855 181 D CB -0.447 40.148 40.800 -0.343 0.000 0.951 181 D HN 0.649 nan 8.370 nan 0.000 0.500 182 G N -0.417 108.224 108.800 -0.266 0.000 2.183 182 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.168 182 G HA3 -0.138 3.821 3.960 -0.001 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 1.754 122.092 120.570 -0.386 0.000 2.464 183 I HA 0.264 4.433 4.170 -0.001 0.000 0.277 183 I C -2.380 173.603 176.117 -0.223 0.000 1.040 183 I CA -2.251 58.823 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 0.387 177.658 177.300 -0.047 0.000 1.151 184 P CA 0.450 63.497 63.100 -0.088 0.000 0.767 184 P CB 0.360 32.019 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 -0.001 0.000 0.266 185 D C 1.962 178.282 176.300 0.032 0.000 1.083 185 D CA 2.602 56.606 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 1.371 117.091 115.700 0.034 0.000 2.422 186 S HA -0.287 4.183 4.470 -0.001 0.000 0.248 186 S C 2.395 177.051 174.600 0.092 0.000 1.069 186 S CA 2.082 60.315 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 4.082 4.340 -0.001 0.000 0.222 187 L C 3.101 180.188 176.870 0.363 0.000 1.082 187 L CA 2.413 57.355 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 -0.673 119.679 120.200 0.254 0.000 2.338 188 E HA -0.138 4.211 4.350 -0.001 0.000 0.197 188 E C 1.877 178.606 176.600 0.214 0.000 1.007 188 E CA 0.771 57.404 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 4.086 4.120 -0.001 0.000 0.240 189 V C 1.511 177.639 176.094 0.058 0.000 1.054 189 V CA 1.018 63.363 62.300 0.074 0.000 1.076 189 V CB -0.080 31.777 31.823 0.056 0.000 0.748 189 V HN 0.128 nan 8.190 nan 0.000 0.474 190 E N 0.760 121.008 120.200 0.081 0.000 2.502 190 E HA 0.378 4.727 4.350 -0.001 0.000 0.194 190 E C 0.850 177.497 176.600 0.079 0.000 1.062 190 E CA 0.542 56.989 56.400 0.078 0.000 0.867 190 E CB 0.192 29.949 29.700 0.094 0.000 0.888 190 E HN 0.615 nan 8.360 nan 0.000 0.510 191 G N 1.095 109.921 108.800 0.043 0.000 2.784 191 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.686 191 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.686 191 G C -0.924 174.015 174.900 0.064 0.000 1.156 191 G CA -0.487 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 -2.055 118.207 120.300 -0.063 0.000 2.871 192 Y HA 0.905 5.455 4.550 -0.001 0.000 0.331 192 Y C -0.070 175.796 175.900 -0.058 0.000 1.378 192 Y CA -0.328 57.782 58.100 0.017 0.000 1.079 192 Y CB 0.962 39.451 38.460 0.048 0.000 1.441 192 Y HN 1.822 nan 8.280 nan 0.000 0.446 193 T N -0.529 114.277 114.554 0.420 0.000 2.648 193 T HA 0.618 4.967 4.350 -0.001 0.000 0.300 193 T C -2.504 172.375 174.700 0.298 0.000 1.751 193 T CA -0.251 62.031 62.100 0.302 0.000 0.959 193 T CB 0.816 69.632 68.868 -0.087 0.000 1.888 193 T HN 1.137 nan 8.240 nan 0.000 0.480 194 V N 1.902 121.967 119.914 0.252 0.000 2.971 194 V HA 0.768 4.887 4.120 -0.001 0.000 0.309 194 V C -0.768 175.435 176.094 0.181 0.000 1.130 194 V CA -0.634 61.796 62.300 0.215 0.000 0.964 194 V CB 2.057 34.002 31.823 0.204 0.000 1.029 194 V HN 1.086 nan 8.190 nan 0.000 0.427 195 D N 1.161 121.681 120.400 0.200 0.000 2.732 195 D HA 0.744 5.383 4.640 -0.001 0.000 0.292 195 D C -1.327 175.078 176.300 0.174 0.000 1.135 195 D CA -0.262 53.848 54.000 0.185 0.000 1.071 195 D CB 2.532 43.465 40.800 0.222 0.000 1.457 195 D HN 0.574 nan 8.370 nan 0.000 0.547 196 V N 0.170 120.174 119.914 0.150 0.000 2.419 196 V HA 0.487 4.606 4.120 -0.001 0.000 0.287 196 V C 0.789 176.973 176.094 0.150 0.000 1.017 196 V CA -0.815 61.552 62.300 0.111 0.000 0.844 196 V CB 0.954 32.809 31.823 0.053 0.000 1.011 196 V HN 0.663 nan 8.190 nan 0.000 0.429 197 K N 4.006 124.556 120.400 0.249 0.000 1.986 197 K HA -0.057 4.262 4.320 -0.001 0.000 0.216 197 K C 1.583 178.273 176.600 0.150 0.000 1.012 197 K CA 1.561 58.003 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 0.492 119.279 118.700 0.145 0.000 2.009 198 N HA -0.125 4.614 4.740 -0.001 0.000 0.195 198 N C 0.793 176.334 175.510 0.051 0.000 1.076 198 N CA 1.459 54.560 53.050 0.085 0.000 0.863 198 N CB -0.073 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 0.136 120.548 120.400 0.021 0.000 2.625 199 K HA 0.256 4.575 4.320 -0.001 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 4.746 4.340 -0.001 0.000 0.272 200 R C 0.083 176.195 176.300 -0.313 0.000 0.991 200 R CA -0.472 55.476 56.100 -0.252 0.000 1.010 200 R CB 0.516 30.558 30.300 -0.430 0.000 1.141 200 R HN 0.010 nan 8.270 nan 0.000 0.494 201 T N -1.146 113.223 114.554 -0.309 0.000 2.743 201 T HA 0.569 4.918 4.350 -0.001 0.000 0.292 201 T C -0.624 173.932 174.700 -0.239 0.000 0.972 201 T CA -0.493 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 0.488 5.014 4.527 -0.001 0.000 0.352 202 F C -0.073 175.790 175.800 0.105 0.000 1.123 202 F CA -1.820 56.236 58.000 0.092 0.000 1.044 202 F CB 1.715 40.769 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 -0.001 0.000 0.289 203 L C -0.112 176.860 176.870 0.170 0.000 1.064 203 L CA 0.334 55.284 54.840 0.184 0.000 0.824 203 L CB 0.169 42.267 42.059 0.065 0.000 1.202 203 L HN 0.514 nan 8.230 nan 0.000 0.433 204 S N 6.675 122.498 115.700 0.205 0.000 2.600 204 S HA 0.802 5.271 4.470 -0.001 0.000 0.300 204 S C -2.745 172.008 174.600 0.254 0.000 1.087 204 S CA -1.507 56.817 58.200 0.207 0.000 0.965 204 S CB 1.655 65.005 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 1.622 122.997 121.300 0.124 0.000 2.158 206 W HA 0.211 4.870 4.660 -0.001 0.000 0.339 206 W C -0.692 175.972 176.519 0.241 0.000 1.294 206 W CA -0.293 57.134 57.345 0.137 0.000 1.231 206 W CB 0.534 30.022 29.460 0.046 0.000 1.143 206 W HN 0.121 nan 8.180 nan 0.000 0.571 207 I N 5.446 125.871 120.570 -0.240 0.000 2.649 207 I HA -0.055 4.115 4.170 -0.001 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 -0.413 0.000 1.234 207 I HN 0.455 nan 8.210 nan 0.000 0.506 208 S N 3.171 118.383 115.700 -0.813 0.000 2.421 208 S HA -0.211 4.259 4.470 -0.001 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 1.725 120.227 118.700 -0.331 0.000 2.075 209 N HA 0.040 4.780 4.740 -0.001 0.000 0.192 209 N C 1.943 177.303 175.510 -0.251 0.000 1.081 209 N CA 1.178 54.087 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 -0.289 120.122 120.570 -0.265 0.000 2.227 210 I HA -0.331 3.838 4.170 -0.001 0.000 0.250 210 I C 2.058 178.050 176.117 -0.208 0.000 1.087 210 I CA 1.790 62.945 61.300 -0.240 0.000 1.352 210 I CB -0.615 37.210 38.000 -0.291 0.000 1.043 210 I HN 0.206 nan 8.210 nan 0.000 0.425 211 H N 1.155 120.063 119.070 -0.271 0.000 2.268 211 H HA -0.099 4.456 4.556 -0.001 0.000 0.304 211 H C 2.126 177.351 175.328 -0.171 0.000 1.064 211 H CA 1.959 57.845 56.048 -0.269 0.000 1.316 211 H CB -0.626 28.755 29.762 -0.634 0.000 1.386 211 H HN 0.514 nan 8.280 nan 0.000 0.496 212 E N 1.127 121.223 120.200 -0.173 0.000 2.393 212 E HA -0.185 4.165 4.350 -0.001 0.000 0.201 212 E C 1.540 178.170 176.600 0.050 0.000 1.025 212 E CA 0.978 57.404 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 0.092 120.496 120.400 0.006 0.000 2.029 213 K HA -0.010 4.309 4.320 -0.001 0.000 0.205 213 K C 1.926 178.551 176.600 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 32.481 32.500 -0.017 0.000 0.740 213 K HN -0.041 nan 8.250 nan 0.000 0.442 214 K N 0.113 120.548 120.400 0.057 0.000 2.520 214 K HA -0.092 4.228 4.320 -0.001 0.000 0.197 214 K C 0.953 177.603 176.600 0.083 0.000 1.043 214 K CA 0.892 57.223 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 3.711 3.960 -0.001 0.000 0.232 215 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.232 215 G C 0.315 175.270 174.900 0.093 0.000 0.986 215 G CA -0.134 45.018 45.100 0.086 0.000 0.643 215 G HN 0.122 nan 8.290 nan 0.000 0.522 216 L N 0.194 121.495 121.223 0.130 0.000 2.348 216 L HA 0.507 4.846 4.340 -0.001 0.000 0.200 216 L C 1.190 178.063 176.870 0.004 0.000 1.154 216 L CA 0.729 55.621 54.840 0.087 0.000 0.856 216 L CB -0.068 42.082 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 4.602 4.350 -0.001 0.000 0.293 217 T C -0.754 173.245 174.700 -1.168 0.000 1.084 217 T CA -0.789 60.944 62.100 -0.611 0.000 1.008 217 T CB 1.867 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 0.281 4.600 4.320 -0.001 0.000 0.270 218 K C -1.190 174.848 176.600 -0.937 0.000 1.098 218 K CA -0.439 54.967 56.287 -1.469 0.000 0.943 218 K CB 0.004 31.678 32.500 -1.377 0.000 1.316 218 K HN 0.477 nan 8.250 nan 0.000 0.447 219 Y N 3.359 123.147 120.300 -0.853 0.000 2.636 219 Y HA 0.122 4.672 4.550 -0.001 0.000 0.341 219 Y C 0.283 175.493 175.900 -1.150 0.000 1.169 219 Y CA -0.503 57.023 58.100 -0.956 0.000 1.498 219 Y CB 0.347 38.230 38.460 -0.963 0.000 1.362 219 Y HN 0.308 nan 8.280 nan 0.000 0.494 220 K N 2.994 123.103 120.400 -0.486 0.000 2.268 220 K HA 0.421 4.740 4.320 -0.001 0.000 0.276 220 K C -0.144 176.373 176.600 -0.139 0.000 1.080 220 K CA -0.151 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 0.647 nan 8.250 nan 0.000 0.465 221 S N 1.745 117.418 115.700 -0.046 0.000 2.694 221 S HA 0.414 4.883 4.470 -0.001 0.000 0.286 221 S C -0.298 174.342 174.600 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 1.722 117.460 115.700 0.063 0.000 2.500 222 S HA 0.528 4.998 4.470 -0.001 0.000 0.301 222 S C -2.177 172.452 174.600 0.047 0.000 1.092 222 S CA -2.040 56.190 58.200 0.050 0.000 1.030 222 S CB 1.615 64.838 63.200 0.038 0.000 1.031 222 S HN 0.531 nan 8.310 nan 0.000 0.483 223 P HA 0.089 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 0.654 63.772 63.100 0.030 0.000 0.773 223 P CB 0.215 31.933 31.700 0.029 0.000 0.878 224 E N -0.202 120.021 120.200 0.038 0.000 2.465 224 E HA 0.151 4.500 4.350 -0.001 0.000 0.195 224 E C 0.080 176.717 176.600 0.062 0.000 1.028 224 E CA 0.054 56.480 56.400 0.044 0.000 0.899 224 E CB 0.350 30.071 29.700 0.034 0.000 1.032 224 E HN 0.324 nan 8.360 nan 0.000 0.468 225 K N -0.174 120.268 120.400 0.070 0.000 2.443 225 K HA 0.114 4.433 4.320 -0.001 0.000 0.252 225 K C -0.566 176.115 176.600 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 -0.092 4.568 4.660 0.001 0.000 0.281 226 W C 0.516 177.046 176.519 0.017 0.000 1.219 226 W CA 1.252 58.598 57.345 0.001 0.000 1.220 226 W CB 0.496 29.944 29.460 -0.019 0.000 1.127 226 W HN 0.395 nan 8.180 nan 0.000 0.556 227 S N -0.923 114.872 115.700 0.158 0.000 2.423 227 S HA 0.164 4.633 4.470 -0.001 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 0.205 63.512 63.200 0.178 0.000 1.202 227 S HN -0.008 nan 8.310 nan 0.000 0.441 228 T N 2.928 117.509 114.554 0.046 0.000 2.751 228 T HA -0.203 4.146 4.350 -0.001 0.000 0.268 228 T C 1.935 176.660 174.700 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 4.615 4.320 -0.001 0.000 0.214 229 A C 1.940 179.553 177.584 0.047 0.000 1.152 229 A CA 1.268 53.326 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 -1.222 114.529 115.700 0.084 0.000 1.646 230 S HA -0.203 4.267 4.470 -0.001 0.000 0.244 230 S C 0.298 174.974 174.600 0.127 0.000 0.878 230 S CA 0.909 59.164 58.200 0.092 0.000 1.313 230 S CB -1.938 61.294 63.200 0.053 0.000 1.591 230 S HN 1.035 nan 8.310 nan 0.000 0.522 231 D N 3.946 124.448 120.400 0.171 0.000 2.370 231 D HA 0.197 4.837 4.640 -0.001 0.000 0.235 231 D C -1.916 174.499 176.300 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 40.827 40.800 0.441 0.000 1.201 231 D HN 0.271 nan 8.370 nan 0.000 0.456 232 P HA 0.063 nan 4.420 nan 0.000 0.231 232 P C -1.257 175.715 177.300 -0.546 0.000 1.756 232 P CA -0.053 62.856 63.100 -0.319 0.000 0.990 232 P CB -0.928 30.380 31.700 -0.654 0.000 1.973 233 Y N -0.911 119.528 120.300 0.230 0.000 2.278 233 Y HA 0.097 4.647 4.550 -0.000 0.000 0.328 233 Y C 0.603 176.376 175.900 -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 0.037 nan 8.280 nan 0.000 0.434 234 S N 1.117 116.389 115.700 -0.713 0.000 2.563 234 S HA -0.061 4.408 4.470 -0.001 0.000 0.294 234 S C 0.889 175.172 174.600 -0.527 0.000 1.279 234 S CA -0.089 57.344 58.200 -1.278 0.000 1.069 234 S CB 0.773 62.793 63.200 -1.967 0.000 0.828 234 S HN 0.681 nan 8.310 nan 0.000 0.497 235 D N 2.212 122.390 120.400 -0.369 0.000 2.192 235 D HA -0.215 4.424 4.640 -0.001 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 1.983 121.719 119.950 -0.358 0.000 2.026 236 F HA -0.187 4.339 4.527 -0.002 0.000 0.296 236 F C 2.324 177.950 175.800 -0.290 0.000 1.133 236 F CA 1.669 59.481 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 4.032 4.350 -0.001 0.000 0.205 237 E C 2.130 178.435 176.600 -0.491 0.000 1.029 237 E CA 2.048 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 -0.069 120.114 120.400 -0.362 0.000 1.974 238 K HA -0.116 4.204 4.320 -0.001 0.000 0.211 238 K C 2.398 178.786 176.600 -0.355 0.000 1.039 238 K CA 1.446 57.544 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 -0.309 119.372 119.914 -0.388 0.000 2.278 239 V HA -0.296 3.823 4.120 -0.001 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 30.194 31.823 -0.302 0.000 0.646 239 V HN 0.448 nan 8.190 nan 0.000 0.447 240 T N -0.402 113.933 114.554 -0.365 0.000 2.881 240 T HA 0.106 4.455 4.350 -0.001 0.000 0.270 240 T C 1.633 176.136 174.700 -0.329 0.000 1.068 240 T CA 2.485 64.348 62.100 -0.394 0.000 1.131 240 T CB -0.781 67.496 68.868 -0.986 0.000 0.871 240 T HN 1.714 nan 8.240 nan 0.000 0.479 241 G N 0.963 109.550 108.800 -0.356 0.000 2.195 241 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.246 241 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.246 241 G C 0.317 175.014 174.900 -0.337 0.000 0.984 241 G CA 0.101 45.041 45.100 -0.266 0.000 0.633 241 G HN 0.605 nan 8.290 nan 0.000 0.525 242 R N 0.607 120.785 120.500 -0.538 0.000 3.247 242 R HA 0.667 5.006 4.340 -0.001 0.000 0.212 242 R C 0.335 176.005 176.300 -1.050 0.000 1.604 242 R CA 0.521 56.102 56.100 -0.865 0.000 1.279 242 R CB 0.011 29.728 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 -0.001 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 0.209 nan 8.210 nan 0.000 0.495 244 D N 4.173 124.681 120.400 0.180 0.000 2.479 244 D HA -0.032 4.607 4.640 -0.001 0.000 0.257 244 D C 0.773 177.145 176.300 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 41.879 40.800 0.292 0.000 1.130 244 D HN 0.337 nan 8.370 nan 0.000 0.515 245 K N 3.365 123.828 120.400 0.106 0.000 2.520 245 K HA -0.123 4.197 4.320 -0.001 0.000 0.197 245 K C 1.049 177.686 176.600 0.062 0.000 1.043 245 K CA 0.361 56.685 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 0.494 119.259 118.700 0.108 0.000 2.376 246 N HA -0.057 4.682 4.740 -0.001 0.000 0.177 246 N C 0.092 175.635 175.510 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 38.758 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 -0.001 0.000 0.305 247 V C 0.660 176.723 176.094 -0.051 0.000 1.055 247 V CA 0.185 62.451 62.300 -0.057 0.000 1.209 247 V CB -0.014 31.664 31.823 -0.242 0.000 0.877 247 V HN 0.179 nan 8.190 nan 0.000 0.489 248 S N 7.736 123.415 115.700 -0.035 0.000 2.561 248 S HA -0.005 4.464 4.470 -0.001 0.000 0.294 248 S C -1.207 173.374 174.600 -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 63.752 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 1.038 64.135 63.100 -0.004 0.000 0.915 249 P CB -0.052 31.658 31.700 0.017 0.000 0.788 250 E N 0.137 120.341 120.200 0.007 0.000 2.448 250 E HA -0.177 4.172 4.350 -0.001 0.000 0.203 250 E C 1.336 177.924 176.600 -0.020 0.000 1.046 250 E CA 1.709 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 0.796 123.597 122.820 -0.031 0.000 2.303 251 A HA 0.212 4.531 4.320 -0.001 0.000 0.217 251 A C 2.008 179.550 177.584 -0.070 0.000 1.205 251 A CA 0.101 52.111 52.037 -0.046 0.000 0.875 251 A CB -0.068 18.901 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 -0.040 4.299 4.340 -0.001 0.000 0.207 252 R C 0.574 176.783 176.300 -0.152 0.000 1.056 252 R CA 0.404 56.428 56.100 -0.127 0.000 1.016 252 R CB -0.693 29.543 30.300 -0.106 0.000 0.872 252 R HN 0.609 nan 8.270 nan 0.000 0.471 253 H N -0.328 118.637 119.070 -0.174 0.000 2.548 253 H HA 0.160 4.715 4.556 -0.001 0.000 0.331 253 H C -1.925 173.302 175.328 -0.169 0.000 1.093 253 H CA -2.482 53.446 56.048 -0.200 0.000 1.367 253 H CB 1.784 31.524 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 0.780 178.196 177.300 0.194 0.000 1.142 254 P CA 1.236 64.343 63.100 0.011 0.000 0.788 254 P CB 0.215 31.836 31.700 -0.132 0.000 0.767 255 L N -2.678 118.824 121.223 0.464 0.000 2.959 255 L HA 0.186 4.526 4.340 -0.001 0.000 0.259 255 L C 0.000 176.834 176.870 -0.061 0.000 1.185 255 L CA -0.214 54.687 54.840 0.102 0.000 0.998 255 L CB 0.721 42.810 42.059 0.050 0.000 1.337 255 L HN -0.305 nan 8.230 nan 0.000 0.555 256 V N 1.140 121.030 119.914 -0.041 0.000 2.357 256 V HA 0.495 4.614 4.120 -0.001 0.000 0.284 256 V C 0.701 176.771 176.094 -0.039 0.000 1.018 256 V CA -0.914 61.329 62.300 -0.096 0.000 0.841 256 V CB 1.484 33.230 31.823 -0.128 0.000 0.991 256 V HN 0.265 nan 8.190 nan 0.000 0.437 257 A N 4.227 127.008 122.820 -0.064 0.000 2.587 257 A HA 0.441 4.761 4.320 -0.001 0.000 0.235 257 A C 0.863 178.499 177.584 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 -0.001 0.000 0.307 258 A C -0.080 177.795 177.584 0.484 0.000 1.025 258 A CA -0.514 51.670 52.037 0.245 0.000 1.012 258 A CB -0.488 18.555 19.000 0.073 0.000 1.085 258 A HN 1.045 nan 8.150 nan 0.000 0.519 259 Y N -1.756 118.611 120.300 0.111 0.000 2.496 259 Y HA 0.845 5.394 4.550 -0.002 0.000 0.331 259 Y C -3.104 172.635 175.900 -0.267 0.000 1.140 259 Y CA -3.346 54.696 58.100 -0.096 0.000 1.166 259 Y CB 1.210 39.659 38.460 -0.019 0.000 1.249 259 Y HN 0.079 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 -0.473 0.000 0.821 260 P CB 1.496 32.901 31.700 -0.492 0.000 1.013 261 I N 1.992 122.361 120.570 -0.336 0.000 2.529 261 I HA 0.324 4.493 4.170 -0.001 0.000 0.284 261 I C -0.828 175.175 176.117 -0.189 0.000 1.088 261 I CA -0.876 60.281 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 7.206 127.020 119.914 -0.167 0.000 2.680 262 V HA 0.671 4.790 4.120 -0.001 0.000 0.309 262 V C -1.155 174.910 176.094 -0.048 0.000 1.052 262 V CA -0.058 62.111 62.300 -0.218 0.000 0.908 262 V CB 2.019 33.601 31.823 -0.401 0.000 1.001 262 V HN 0.887 nan 8.190 nan 0.000 0.431 263 H N 3.351 122.378 119.070 -0.072 0.000 2.946 263 H HA 0.815 5.371 4.556 -0.001 0.000 0.365 263 H C -1.583 173.729 175.328 -0.027 0.000 1.197 263 H CA -1.063 54.965 56.048 -0.032 0.000 1.131 263 H CB 1.775 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 1.765 121.789 119.914 0.183 0.000 2.427 264 V HA 0.240 4.360 4.120 -0.001 0.000 0.286 264 V C -0.330 175.834 176.094 0.118 0.000 1.034 264 V CA -0.524 61.789 62.300 0.022 0.000 0.893 264 V CB 1.154 32.940 31.823 -0.062 0.000 0.982 264 V HN 0.886 nan 8.190 nan 0.000 0.452 265 D N 4.444 124.853 120.400 0.015 0.000 2.217 265 D HA 0.430 5.069 4.640 -0.001 0.000 0.243 265 D C -0.565 175.746 176.300 0.019 0.000 1.054 265 D CA -0.494 53.559 54.000 0.087 0.000 0.838 265 D CB 1.766 42.660 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 4.721 4.480 -0.001 0.000 0.322 266 M C 0.458 176.767 176.300 0.015 0.000 0.962 266 M CA -0.354 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 2.620 122.828 120.200 0.012 0.000 2.047 267 E HA -0.098 4.251 4.350 -0.001 0.000 0.191 267 E C -0.414 176.189 176.600 0.004 0.000 0.987 267 E CA 1.057 57.464 56.400 0.013 0.000 0.799 267 E CB 0.136 29.839 29.700 0.005 0.000 0.752 267 E HN 0.824 nan 8.360 nan 0.000 0.449 268 N N -0.336 118.360 118.700 -0.007 0.000 2.504 268 N HA 0.298 5.037 4.740 -0.001 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 0.944 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 -2.027 118.520 120.570 -0.038 0.000 3.100 269 I HA 0.740 4.910 4.170 -0.001 0.000 0.312 269 I C -0.772 175.300 176.117 -0.075 0.000 1.063 269 I CA -1.348 59.919 61.300 -0.056 0.000 1.031 269 I CB 2.052 40.009 38.000 -0.072 0.000 1.243 269 I HN 0.634 nan 8.210 nan 0.000 0.483 270 I N 3.291 123.811 120.570 -0.082 0.000 2.590 270 I HA 0.367 4.537 4.170 -0.001 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 1.254 39.222 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 0.609 4.949 4.340 -0.001 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 1.636 43.577 42.059 -0.197 0.000 1.175 271 L HN 0.688 nan 8.230 nan 0.000 0.431 272 S N 1.139 116.856 115.700 0.030 0.000 2.579 272 S HA 0.465 4.934 4.470 -0.001 0.000 0.272 272 S C -1.009 173.604 174.600 0.021 0.000 1.141 272 S CA -1.245 56.967 58.200 0.020 0.000 0.843 272 S CB 1.795 64.995 63.200 0.001 0.000 1.122 272 S HN 0.591 nan 8.310 nan 0.000 0.468 273 K N 1.504 121.900 120.400 -0.007 0.000 2.383 273 K HA 0.193 4.512 4.320 -0.001 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 3.397 122.093 118.700 -0.007 0.000 2.359 274 N HA -0.127 4.612 4.740 -0.001 0.000 0.261 274 N C -0.139 175.368 175.510 -0.006 0.000 1.267 274 N CA 0.461 53.511 53.050 -0.000 0.000 0.864 274 N CB 0.525 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 4.903 4.470 -0.001 0.000 0.287 284 S C 0.640 175.240 174.600 -0.000 0.000 1.139 284 S CA 0.186 58.385 58.200 -0.001 0.000 1.058 284 S CB 0.900 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 4.404 4.340 -0.001 0.000 0.249 285 Q C 1.323 177.325 176.000 0.003 0.000 0.783 285 Q CA 0.462 56.266 55.803 0.001 0.000 0.978 285 Q CB 0.387 29.125 28.738 0.001 0.000 1.273 285 Q HN 0.813 nan 8.270 nan 0.000 0.524 286 T N -1.734 112.824 114.554 0.007 0.000 3.054 286 T HA 0.205 4.555 4.350 -0.001 0.000 0.255 286 T C 1.099 175.809 174.700 0.018 0.000 1.035 286 T CA -0.389 61.718 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 2.817 123.325 120.500 0.013 0.000 2.423 287 R HA 0.190 4.529 4.340 -0.001 0.000 0.248 287 R C 0.468 176.776 176.300 0.014 0.000 1.019 287 R CA 0.108 56.218 56.100 0.017 0.000 1.119 287 R CB -1.033 29.271 30.300 0.007 0.000 1.176 287 R HN 0.682 nan 8.270 nan 0.000 0.526 288 T N -1.797 112.762 114.554 0.008 0.000 2.848 288 T HA 0.629 4.978 4.350 -0.001 0.000 0.285 288 T C 0.315 175.000 174.700 -0.025 0.000 0.995 288 T CA -0.980 61.116 62.100 -0.008 0.000 0.970 288 T CB 1.730 70.590 68.868 -0.013 0.000 0.976 288 T HN 0.215 nan 8.240 nan 0.000 0.441 289 I N 0.136 120.663 120.570 -0.072 0.000 2.385 289 I HA 0.780 4.949 4.170 -0.001 0.000 0.294 289 I C -0.183 175.848 176.117 -0.144 0.000 0.988 289 I CA -0.634 60.589 61.300 -0.128 0.000 1.265 289 I CB 1.877 39.684 38.000 -0.321 0.000 1.388 289 I HN 0.653 nan 8.210 nan 0.000 0.480 290 S N 5.572 121.216 115.700 -0.093 0.000 2.652 290 S HA 0.431 4.900 4.470 -0.001 0.000 0.252 290 S C -0.637 173.936 174.600 -0.046 0.000 1.219 290 S CA -0.788 57.367 58.200 -0.075 0.000 1.151 290 S CB 0.271 63.445 63.200 -0.044 0.000 1.080 290 S HN 0.599 nan 8.310 nan 0.000 0.481 291 K N 2.790 123.157 120.400 -0.055 0.000 2.166 291 K HA 0.508 4.827 4.320 -0.001 0.000 0.245 291 K C -0.191 176.411 176.600 0.003 0.000 0.967 291 K CA -0.815 55.473 56.287 0.002 0.000 0.863 291 K CB 0.772 33.302 32.500 0.050 0.000 1.107 291 K HN 0.526 nan 8.250 nan 0.000 0.436 292 N N 0.014 118.729 118.700 0.025 0.000 2.413 292 N HA 0.369 5.108 4.740 -0.001 0.000 0.266 292 N C -0.507 175.023 175.510 0.033 0.000 1.238 292 N CA -0.157 52.906 53.050 0.021 0.000 0.972 292 N CB 0.716 39.217 38.487 0.023 0.000 1.210 292 N HN 0.598 nan 8.380 nan 0.000 0.547 293 T N -3.710 110.860 114.554 0.027 0.000 2.883 293 T HA 0.660 5.009 4.350 -0.001 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 1.601 117.318 115.700 0.030 0.000 2.669 294 S HA 0.613 5.082 4.470 -0.001 0.000 0.315 294 S C -0.184 174.428 174.600 0.019 0.000 1.106 294 S CA -0.714 57.502 58.200 0.026 0.000 1.107 294 S CB 1.084 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 2.609 117.182 114.554 0.031 0.000 2.934 295 T HA 0.775 5.125 4.350 -0.001 0.000 0.283 295 T C -0.178 174.521 174.700 -0.001 0.000 1.005 295 T CA -0.823 61.289 62.100 0.021 0.000 1.041 295 T CB 1.266 70.167 68.868 0.055 0.000 1.042 295 T HN 0.649 nan 8.240 nan 0.000 0.505 296 S N 0.769 116.427 115.700 -0.070 0.000 2.586 296 S HA 0.419 4.888 4.470 -0.001 0.000 0.296 296 S C -0.761 173.688 174.600 -0.251 0.000 1.120 296 S CA -1.149 56.967 58.200 -0.140 0.000 0.927 296 S CB 0.917 64.069 63.200 -0.079 0.000 1.114 296 S HN 0.692 nan 8.310 nan 0.000 0.453 297 R N 1.122 121.347 120.500 -0.458 0.000 2.740 297 R HA 0.338 4.678 4.340 -0.001 0.000 0.263 297 R C 0.869 177.058 176.300 -0.185 0.000 0.997 297 R CA 1.362 57.208 56.100 -0.423 0.000 1.108 297 R CB 0.256 30.312 30.300 -0.407 0.000 0.969 297 R HN 0.924 nan 8.270 nan 0.000 0.431 298 T N -1.703 112.789 114.554 -0.103 0.000 2.724 298 T HA 0.311 4.660 4.350 -0.001 0.000 0.274 298 T C -0.444 174.297 174.700 0.069 0.000 0.984 298 T CA -0.610 61.475 62.100 -0.025 0.000 1.024 298 T CB 1.607 70.467 68.868 -0.013 0.000 1.320 298 T HN 0.781 nan 8.240 nan 0.000 0.555 299 H N -0.026 119.010 119.070 -0.057 0.000 3.757 299 H HA 0.262 4.817 4.556 -0.002 0.000 0.214 299 H C -0.025 175.327 175.328 0.041 0.000 1.275 299 H CA 0.284 56.304 56.048 -0.046 0.000 1.205 299 H CB -0.599 29.069 29.762 -0.157 0.000 2.906 299 H HN 1.081 nan 8.280 nan 0.000 0.550 300 T N -1.303 113.248 114.554 -0.006 0.000 2.723 300 T HA -0.002 4.347 4.350 -0.001 0.000 0.260 300 T C 0.849 175.564 174.700 0.026 0.000 1.019 300 T CA 1.008 63.114 62.100 0.010 0.000 1.155 300 T CB 0.895 69.765 68.868 0.003 0.000 1.024 300 T HN 0.359 nan 8.240 nan 0.000 0.491 301 S N 2.216 117.966 115.700 0.083 0.000 2.561 301 S HA 0.403 4.872 4.470 -0.001 0.000 0.282 301 S C 0.238 174.856 174.600 0.030 0.000 1.123 301 S CA -0.928 57.337 58.200 0.108 0.000 1.011 301 S CB 0.757 64.066 63.200 0.182 0.000 1.244 301 S HN 0.864 nan 8.310 nan 0.000 0.503 302 E N 0.102 120.311 120.200 0.015 0.000 2.322 302 E HA 0.374 4.723 4.350 -0.001 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 0.485 nan 8.360 nan 0.000 0.465 303 V N -1.730 118.188 119.914 0.007 0.000 3.894 303 V HA 0.060 4.179 4.120 -0.001 0.000 0.268 303 V C 1.118 177.307 176.094 0.159 0.000 0.956 303 V CA 0.180 62.491 62.300 0.018 0.000 0.843 303 V CB -0.077 31.685 31.823 -0.101 0.000 1.198 303 V HN 0.733 nan 8.190 nan 0.000 0.393 304 H N 0.410 119.473 119.070 -0.012 0.000 2.287 304 H HA 0.411 4.967 4.556 -0.001 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 0.218 29.978 29.762 -0.002 0.000 1.409 304 H HN 0.919 nan 8.280 nan 0.000 0.515 305 G N 0.147 109.025 108.800 0.131 0.000 3.643 305 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.232 305 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.232 305 G C -0.315 174.612 174.900 0.045 0.000 3.381 305 G CA 0.061 45.206 45.100 0.075 0.000 0.783 305 G HN 0.544 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 4.860 4.740 -0.001 0.000 0.241 306 N C 0.819 176.298 175.510 -0.053 0.000 1.395 306 N CA 0.480 53.523 53.050 -0.012 0.000 0.765 306 N CB 0.012 38.499 38.487 -0.000 0.000 1.120 306 N HN 0.928 nan 8.380 nan 0.000 0.510 307 A N 2.121 124.885 122.820 -0.093 0.000 2.526 307 A HA 0.090 4.409 4.320 -0.001 0.000 0.267 307 A C 0.271 177.775 177.584 -0.133 0.000 1.095 307 A CA 0.173 52.137 52.037 -0.121 0.000 0.775 307 A CB -0.563 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 1.663 121.809 120.200 -0.089 0.000 2.406 308 E HA 0.176 4.525 4.350 -0.001 0.000 0.247 308 E C 0.119 176.661 176.600 -0.096 0.000 1.160 308 E CA 0.046 56.403 56.400 -0.072 0.000 0.950 308 E CB -0.098 29.580 29.700 -0.036 0.000 0.993 308 E HN 0.557 nan 8.360 nan 0.000 0.472 309 V N 1.558 121.370 119.914 -0.171 0.000 2.483 309 V HA 0.237 4.356 4.120 -0.001 0.000 0.295 309 V C 0.493 176.519 176.094 -0.114 0.000 1.035 309 V CA -1.230 60.941 62.300 -0.215 0.000 0.896 309 V CB 1.235 32.654 31.823 -0.673 0.000 0.986 309 V HN 0.630 nan 8.190 nan 0.000 0.447 310 H N 3.675 122.688 119.070 -0.094 0.000 3.073 310 H HA 0.145 4.700 4.556 -0.001 0.000 0.340 310 H C 1.361 176.695 175.328 0.010 0.000 1.054 310 H CA 0.270 56.302 56.048 -0.028 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 2.931 125.790 122.820 0.066 0.000 2.042 311 A HA -0.199 4.121 4.320 -0.001 0.000 0.222 311 A C 2.101 179.687 177.584 0.004 0.000 1.167 311 A CA 1.678 53.750 52.037 0.058 0.000 0.649 311 A CB -0.806 18.249 19.000 0.092 0.000 0.809 311 A HN 0.721 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 0.101 4.570 4.470 -0.001 0.000 0.228 312 S C 0.832 175.315 174.600 -0.195 0.000 0.965 312 S CA 0.206 58.388 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 0.590 120.238 119.950 -0.502 0.000 2.446 313 F HA 0.339 4.865 4.527 -0.002 0.000 0.292 313 F C 0.441 175.927 175.800 -0.522 0.000 1.096 313 F CA -0.036 57.584 58.000 -0.633 0.000 1.438 313 F CB 0.140 38.605 39.000 -0.891 0.000 1.107 313 F HN 0.166 nan 8.300 nan 0.000 0.546 314 F N 1.422 121.253 119.950 -0.198 0.000 2.898 314 F HA 0.243 4.770 4.527 -0.001 0.000 0.290 314 F C 0.272 175.973 175.800 -0.166 0.000 1.195 314 F CA -0.821 57.032 58.000 -0.245 0.000 1.387 314 F CB -0.906 38.034 39.000 -0.100 0.000 0.976 314 F HN -0.155 nan 8.300 nan 0.000 0.510 315 D N -0.327 120.039 120.400 -0.058 0.000 2.569 315 D HA 0.391 5.030 4.640 -0.001 0.000 0.266 315 D C 0.309 176.574 176.300 -0.059 0.000 1.164 315 D CA -0.470 53.513 54.000 -0.029 0.000 1.071 315 D CB 1.943 42.732 40.800 -0.019 0.000 1.183 315 D HN -0.106 nan 8.370 nan 0.000 0.613 316 I N 0.946 121.495 120.570 -0.035 0.000 2.363 316 I HA 0.170 4.339 4.170 -0.001 0.000 0.292 316 I C 1.515 177.610 176.117 -0.037 0.000 1.075 316 I CA 0.265 61.543 61.300 -0.037 0.000 1.333 316 I CB 0.438 38.425 38.000 -0.021 0.000 1.415 316 I HN 0.699 nan 8.210 nan 0.000 0.502 317 G N 4.737 113.507 108.800 -0.050 0.000 2.480 317 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.246 317 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.246 317 G C 0.814 175.691 174.900 -0.037 0.000 1.073 317 G CA 0.114 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 -0.558 108.219 108.800 -0.039 0.000 2.346 318 G HA2 0.521 4.480 3.960 -0.001 0.000 0.275 318 G HA3 0.521 4.480 3.960 -0.001 0.000 0.275 318 G C 1.077 175.948 174.900 -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 0.020 0.000 2.723 319 S HA -0.241 4.228 4.470 -0.001 0.000 0.261 319 S C 1.150 175.755 174.600 0.007 0.000 1.294 319 S CA 1.058 59.301 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 0.807 nan 8.310 nan 0.000 0.672 320 V N 3.529 123.355 119.914 -0.146 0.000 2.070 320 V HA 0.082 4.201 4.120 -0.001 0.000 0.239 320 V C 1.503 177.547 176.094 -0.084 0.000 1.472 320 V CA 0.807 62.972 62.300 -0.224 0.000 1.453 320 V CB -0.225 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 2.112 117.805 115.700 -0.012 0.000 2.595 321 S HA 0.071 4.540 4.470 -0.001 0.000 0.235 321 S C 1.534 176.100 174.600 -0.056 0.000 0.974 321 S CA 0.366 58.563 58.200 -0.005 0.000 0.942 321 S CB -0.330 62.886 63.200 0.026 0.000 0.766 321 S HN 1.687 nan 8.310 nan 0.000 0.536 322 A N -0.027 122.740 122.820 -0.089 0.000 2.832 322 A HA 0.039 4.358 4.320 -0.001 0.000 0.280 322 A C 1.817 179.204 177.584 -0.328 0.000 1.464 322 A CA 1.194 53.139 52.037 -0.154 0.000 0.804 322 A CB -2.181 16.750 19.000 -0.114 0.000 1.020 322 A HN 2.117 nan 8.150 nan 0.000 0.563 323 G N -2.427 106.218 108.800 -0.259 0.000 3.909 323 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.218 323 G HA3 -0.020 3.939 3.960 -0.001 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 0.806 120.710 119.950 -0.078 0.000 2.591 324 F HA 0.884 5.410 4.527 -0.002 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 39.977 39.000 -0.609 0.000 1.250 324 F HN 0.870 nan 8.300 nan 0.000 0.447 325 S N 0.469 116.292 115.700 0.204 0.000 2.911 325 S HA 0.557 5.027 4.470 -0.001 0.000 0.319 325 S C -1.274 173.430 174.600 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 1.679 120.462 118.700 0.139 0.000 2.420 326 N HA 0.472 5.211 4.740 -0.001 0.000 0.262 326 N C -0.831 174.738 175.510 0.098 0.000 1.144 326 N CA 0.332 53.459 53.050 0.127 0.000 0.952 326 N CB 0.965 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 4.506 4.470 -0.001 0.000 0.303 327 S C -1.844 172.807 174.600 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 5.133 4.740 -0.001 0.000 0.271 328 N C -0.897 174.657 175.510 0.072 0.000 1.069 328 N CA -0.104 52.998 53.050 0.086 0.000 0.965 328 N CB 1.677 40.230 38.487 0.109 0.000 1.092 328 N HN 0.476 nan 8.380 nan 0.000 0.476 329 S N 0.998 116.728 115.700 0.050 0.000 2.721 329 S HA 0.282 4.751 4.470 -0.001 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 0.030 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 3.309 119.003 115.700 -0.011 0.000 2.681 330 S HA 0.809 5.278 4.470 -0.001 0.000 0.270 330 S C -0.172 174.406 174.600 -0.037 0.000 1.209 330 S CA -0.480 57.678 58.200 -0.070 0.000 0.988 330 S CB 1.321 64.502 63.200 -0.031 0.000 1.006 330 S HN 0.612 nan 8.310 nan 0.000 0.558 331 T N 0.839 115.365 114.554 -0.048 0.000 3.071 331 T HA 0.540 4.889 4.350 -0.001 0.000 0.311 331 T C -0.458 174.231 174.700 -0.018 0.000 1.042 331 T CA -0.670 61.415 62.100 -0.025 0.000 1.028 331 T CB 1.234 70.088 68.868 -0.024 0.000 1.068 331 T HN 1.009 nan 8.240 nan 0.000 0.451 332 V N 0.505 120.416 119.914 -0.005 0.000 2.975 332 V HA 1.070 5.189 4.120 -0.001 0.000 0.318 332 V C -0.344 175.753 176.094 0.005 0.000 1.077 332 V CA -1.101 61.200 62.300 0.003 0.000 1.000 332 V CB 1.460 33.287 31.823 0.007 0.000 1.066 332 V HN 1.126 nan 8.190 nan 0.000 0.452 333 A N 3.317 126.146 122.820 0.014 0.000 2.422 333 A HA 0.844 5.163 4.320 -0.001 0.000 0.302 333 A C -0.770 176.843 177.584 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 2.060 122.677 120.570 0.078 0.000 2.342 334 I HA 0.139 4.308 4.170 -0.001 0.000 0.291 334 I C 0.248 176.468 176.117 0.172 0.000 1.010 334 I CA -0.562 60.810 61.300 0.119 0.000 1.308 334 I CB 1.198 39.300 38.000 0.170 0.000 1.400 334 I HN 0.690 nan 8.210 nan 0.000 0.488 335 D N 7.024 127.520 120.400 0.160 0.000 2.554 335 D HA -0.171 4.468 4.640 -0.001 0.000 0.251 335 D C 1.281 177.742 176.300 0.268 0.000 1.213 335 D CA 0.357 54.476 54.000 0.198 0.000 0.900 335 D CB 0.619 41.494 40.800 0.126 0.000 1.135 335 D HN 0.609 nan 8.370 nan 0.000 0.522 336 H N 1.809 120.953 119.070 0.124 0.000 2.551 336 H HA 0.086 4.641 4.556 -0.001 0.000 0.266 336 H C 0.367 175.803 175.328 0.180 0.000 0.977 336 H CA -0.348 55.788 56.048 0.147 0.000 1.163 336 H CB -0.105 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 -0.262 0.000 2.587 337 S HA 0.287 4.756 4.470 -0.001 0.000 0.252 337 S C 0.834 175.420 174.600 -0.022 0.000 1.282 337 S CA -0.538 57.525 58.200 -0.228 0.000 0.977 337 S CB 0.567 63.697 63.200 -0.117 0.000 1.015 337 S HN 0.215 nan 8.310 nan 0.000 0.557 338 L N 0.198 121.434 121.223 0.022 0.000 2.387 338 L HA 0.474 4.813 4.340 -0.001 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 0.067 0.000 0.801 338 L CB 1.421 43.531 42.059 0.085 0.000 1.223 338 L HN 0.653 nan 8.230 nan 0.000 0.456 339 S N -0.344 115.406 115.700 0.082 0.000 2.769 339 S HA 0.411 4.880 4.470 -0.001 0.000 0.258 339 S C 0.372 175.001 174.600 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 5.096 4.340 -0.001 0.000 0.255 340 L C 1.414 178.315 176.870 0.053 0.000 1.501 340 L CA -0.454 54.416 54.840 0.049 0.000 1.593 340 L CB 0.160 42.251 42.059 0.053 0.000 2.049 340 L HN 0.188 nan 8.230 nan 0.000 0.576 341 A N 0.031 122.878 122.820 0.045 0.000 3.470 341 A HA 0.212 4.531 4.320 -0.001 0.000 0.174 341 A C 1.311 178.918 177.584 0.038 0.000 1.652 341 A CA 0.755 52.819 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 0.789 109.605 108.800 0.026 0.000 3.374 342 G HA2 0.345 4.304 3.960 -0.001 0.000 0.252 342 G HA3 0.345 4.304 3.960 -0.001 0.000 0.252 342 G C 0.301 175.211 174.900 0.016 0.000 1.326 342 G CA 0.338 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 -0.240 119.981 120.200 0.035 0.000 2.492 343 E HA 0.149 4.498 4.350 -0.001 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 30.475 29.700 0.098 0.000 0.960 343 E HN 0.233 nan 8.360 nan 0.000 0.452 344 R N 1.227 121.769 120.500 0.071 0.000 2.560 344 R HA 0.136 4.475 4.340 -0.001 0.000 0.267 344 R C -1.574 174.775 176.300 0.080 0.000 1.150 344 R CA -0.057 56.074 56.100 0.051 0.000 0.997 344 R CB 1.548 31.866 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 -0.132 4.217 4.350 -0.001 0.000 0.692 345 T C 0.948 175.777 174.700 0.215 0.000 0.971 345 T CA 0.968 63.100 62.100 0.053 0.000 3.665 345 T CB -0.395 68.518 68.868 0.076 0.000 2.085 345 T HN 0.649 nan 8.240 nan 0.000 0.386 346 W N 1.835 123.234 121.300 0.166 0.000 2.276 346 W HA -0.249 4.410 4.660 -0.001 0.000 0.307 346 W C 2.391 179.066 176.519 0.260 0.000 1.240 346 W CA 1.199 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 0.647 123.751 122.820 0.473 0.000 1.862 347 A HA -0.311 4.008 4.320 -0.001 0.000 0.217 347 A C 1.897 179.595 177.584 0.191 0.000 1.251 347 A CA 2.519 54.730 52.037 0.290 0.000 0.673 347 A CB -1.290 17.869 19.000 0.266 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 -0.177 4.172 4.350 -0.001 0.000 0.199 348 E C 2.079 178.747 176.600 0.112 0.000 1.004 348 E CA 1.563 58.031 56.400 0.112 0.000 0.819 348 E CB -0.467 29.289 29.700 0.094 0.000 0.738 348 E HN 0.712 nan 8.360 nan 0.000 0.478 349 T N 0.790 115.441 114.554 0.161 0.000 2.674 349 T HA -0.147 4.202 4.350 -0.001 0.000 0.265 349 T C 1.904 176.672 174.700 0.113 0.000 1.039 349 T CA 1.284 63.475 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 -0.202 119.471 119.600 0.122 0.000 2.276 350 M HA 0.254 4.733 4.480 -0.001 0.000 0.262 350 M C 1.429 177.741 176.300 0.020 0.000 1.098 350 M CA 1.060 56.394 55.300 0.057 0.000 1.167 350 M CB 0.383 33.005 32.600 0.037 0.000 1.337 350 M HN 0.471 nan 8.290 nan 0.000 0.446 351 G N 1.802 110.612 108.800 0.016 0.000 2.618 351 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.180 351 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.180 351 G C -0.686 174.187 174.900 -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 0.937 122.128 121.223 -0.054 0.000 2.282 352 L HA 0.533 4.872 4.340 -0.001 0.000 0.288 352 L C -0.153 176.648 176.870 -0.114 0.000 1.033 352 L CA -1.008 53.778 54.840 -0.091 0.000 0.807 352 L CB 1.243 43.175 42.059 -0.212 0.000 1.209 352 L HN 0.177 nan 8.230 nan 0.000 0.423 353 N N 1.001 119.530 118.700 -0.286 0.000 2.335 353 N HA 0.278 5.017 4.740 -0.001 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 1.978 40.304 38.487 -0.268 0.000 1.294 353 N HN 0.477 nan 8.380 nan 0.000 0.497 354 T N 1.379 115.366 114.554 -0.944 0.000 2.719 354 T HA -0.289 4.060 4.350 -0.001 0.000 0.254 354 T C 1.123 175.686 174.700 -0.229 0.000 1.106 354 T CA 2.351 64.115 62.100 -0.560 0.000 1.146 354 T CB -0.301 68.406 68.868 -0.269 0.000 0.839 354 T HN 0.730 nan 8.240 nan 0.000 0.473 355 A N 2.010 124.722 122.820 -0.180 0.000 3.105 355 A HA 0.348 4.667 4.320 -0.001 0.000 0.272 355 A C -0.030 177.508 177.584 -0.077 0.000 1.466 355 A CA -0.349 51.634 52.037 -0.090 0.000 1.101 355 A CB 0.009 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 5.161 4.640 -0.001 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 -2.131 112.421 114.554 -0.002 0.000 2.841 357 T HA 0.767 5.116 4.350 -0.001 0.000 0.283 357 T C -0.612 174.096 174.700 0.013 0.000 1.000 357 T CA -0.863 61.251 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 3.640 126.491 122.820 0.051 0.000 2.318 358 A HA 0.755 5.074 4.320 -0.001 0.000 0.324 358 A C 0.296 177.937 177.584 0.095 0.000 1.170 358 A CA -1.243 50.838 52.037 0.075 0.000 0.810 358 A CB 0.758 19.867 19.000 0.181 0.000 1.198 358 A HN 1.021 nan 8.150 nan 0.000 0.484 359 R N 2.181 122.718 120.500 0.063 0.000 2.265 359 R HA 0.654 4.993 4.340 -0.001 0.000 0.319 359 R C -0.920 175.403 176.300 0.040 0.000 1.006 359 R CA -0.628 55.499 56.100 0.045 0.000 0.880 359 R CB 0.895 31.210 30.300 0.025 0.000 1.077 359 R HN 0.461 nan 8.270 nan 0.000 0.454 360 L N 2.185 123.426 121.223 0.029 0.000 2.360 360 L HA 0.548 4.887 4.340 -0.001 0.000 0.271 360 L C -0.898 175.969 176.870 -0.006 0.000 1.057 360 L CA -0.323 54.520 54.840 0.004 0.000 0.803 360 L CB 1.519 43.577 42.059 -0.001 0.000 1.207 360 L HN 0.910 nan 8.230 nan 0.000 0.445 361 N N 2.358 121.045 118.700 -0.021 0.000 2.504 361 N HA 0.785 5.524 4.740 -0.001 0.000 0.268 361 N C -2.088 173.404 175.510 -0.030 0.000 1.184 361 N CA 0.159 53.198 53.050 -0.020 0.000 0.875 361 N CB 2.254 40.732 38.487 -0.015 0.000 1.630 361 N HN 0.997 nan 8.380 nan 0.000 0.486 362 A N 1.656 124.461 122.820 -0.026 0.000 2.586 362 A HA 0.544 4.863 4.320 -0.001 0.000 0.290 362 A C -1.818 175.750 177.584 -0.028 0.000 1.086 362 A CA -0.747 51.272 52.037 -0.030 0.000 0.665 362 A CB 1.132 20.112 19.000 -0.034 0.000 1.279 362 A HN 0.587 nan 8.150 nan 0.000 0.423 363 N N 0.731 119.415 118.700 -0.027 0.000 2.476 363 N HA 0.586 5.325 4.740 -0.001 0.000 0.257 363 N C -1.070 174.419 175.510 -0.034 0.000 0.970 363 N CA -0.059 52.977 53.050 -0.025 0.000 0.938 363 N CB 1.426 39.904 38.487 -0.016 0.000 1.144 363 N HN 0.722 nan 8.380 nan 0.000 0.500 364 I N -0.868 119.666 120.570 -0.060 0.000 3.002 364 I HA 0.689 4.859 4.170 -0.001 0.000 0.310 364 I C -0.468 175.576 176.117 -0.121 0.000 1.087 364 I CA -1.044 60.196 61.300 -0.099 0.000 1.017 364 I CB 1.761 39.662 38.000 -0.166 0.000 1.226 364 I HN 0.279 nan 8.210 nan 0.000 0.443 365 R N 2.487 122.913 120.500 -0.123 0.000 2.574 365 R HA 0.534 4.873 4.340 -0.001 0.000 0.288 365 R C -1.815 174.393 176.300 -0.153 0.000 1.004 365 R CA -0.774 55.293 56.100 -0.054 0.000 0.895 365 R CB 0.835 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 1.071 121.391 120.300 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 -0.180 57.854 58.100 -0.110 0.000 1.391 366 Y CB 1.399 39.753 38.460 -0.176 0.000 1.293 366 Y HN 0.355 nan 8.280 nan 0.000 0.557 367 V N 4.108 123.871 119.914 -0.252 0.000 2.655 367 V HA 0.324 4.444 4.120 -0.001 0.000 0.301 367 V C -1.221 174.585 176.094 -0.480 0.000 1.082 367 V CA -0.852 61.157 62.300 -0.486 0.000 0.899 367 V CB 1.650 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 3.625 122.133 118.700 -0.320 0.000 2.514 368 N HA 0.358 5.097 4.740 -0.001 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 40.312 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 0.322 4.672 4.350 -0.001 0.000 0.261 369 T C 0.953 175.590 174.700 -0.104 0.000 0.984 369 T CA 0.384 62.424 62.100 -0.101 0.000 0.911 369 T CB -0.423 68.435 68.868 -0.017 0.000 1.127 369 T HN 0.542 nan 8.240 nan 0.000 0.514 370 G N 1.241 109.937 108.800 -0.173 0.000 2.679 370 G HA2 0.207 4.166 3.960 -0.001 0.000 0.158 370 G HA3 0.207 4.166 3.960 -0.001 0.000 0.158 370 G C 1.076 175.912 174.900 -0.106 0.000 1.702 370 G CA 1.406 46.380 45.100 -0.211 0.000 1.041 370 G HN 0.488 nan 8.290 nan 0.000 0.507 371 T N -3.902 110.604 114.554 -0.079 0.000 3.041 371 T HA 0.633 4.982 4.350 -0.001 0.000 0.276 371 T C 0.346 175.053 174.700 0.011 0.000 0.948 371 T CA 0.790 62.885 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 2.294 125.115 122.820 0.001 0.000 2.384 372 A HA 0.952 5.271 4.320 -0.001 0.000 0.312 372 A C -3.083 174.540 177.584 0.065 0.000 1.113 372 A CA -2.108 49.995 52.037 0.110 0.000 0.779 372 A CB 1.742 20.895 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 -1.194 176.283 177.300 0.295 0.000 1.293 373 P CA -0.494 62.702 63.100 0.160 0.000 0.897 373 P CB 1.581 33.377 31.700 0.160 0.000 1.166 374 I N 1.664 122.309 120.570 0.125 0.000 2.404 374 I HA 0.252 4.421 4.170 -0.001 0.000 0.293 374 I C 0.481 176.709 176.117 0.184 0.000 0.992 374 I CA -0.673 60.758 61.300 0.217 0.000 1.149 374 I CB 1.652 39.627 38.000 -0.041 0.000 1.315 374 I HN 0.305 nan 8.210 nan 0.000 0.446 375 Y N 4.367 124.750 120.300 0.139 0.000 2.462 375 Y HA 0.053 4.602 4.550 -0.002 0.000 0.261 375 Y C 1.302 177.245 175.900 0.071 0.000 1.146 375 Y CA -0.155 58.006 58.100 0.102 0.000 1.283 375 Y CB -0.002 38.523 38.460 0.108 0.000 1.090 375 Y HN 0.677 nan 8.280 nan 0.000 0.526 376 N N -2.069 116.736 118.700 0.176 0.000 2.946 376 N HA 0.037 4.776 4.740 -0.001 0.000 0.245 376 N C -0.460 175.057 175.510 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 0.106 0.000 0.872 376 N HN -0.220 nan 8.380 nan 0.000 0.966 377 V N 2.870 122.796 119.914 0.020 0.000 2.458 377 V HA 0.076 4.195 4.120 -0.001 0.000 0.287 377 V C 0.372 176.399 176.094 -0.112 0.000 1.009 377 V CA -0.032 62.249 62.300 -0.033 0.000 1.091 377 V CB -0.631 31.201 31.823 0.016 0.000 0.960 377 V HN 0.213 nan 8.190 nan 0.000 0.476 378 L N 8.410 129.477 121.223 -0.259 0.000 2.468 378 L HA 0.460 4.800 4.340 -0.001 0.000 0.254 378 L C -1.918 174.740 176.870 -0.353 0.000 1.171 378 L CA -1.467 53.086 54.840 -0.479 0.000 0.809 378 L CB 0.001 41.520 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 -0.285 62.735 63.100 -0.134 0.000 0.793 379 P CB 0.366 32.016 31.700 -0.083 0.000 0.977 380 T N 0.497 115.064 114.554 0.021 0.000 3.477 380 T HA 0.189 4.538 4.350 -0.001 0.000 0.347 380 T C 0.253 174.997 174.700 0.074 0.000 1.567 380 T CA -0.120 62.006 62.100 0.043 0.000 1.169 380 T CB -0.773 68.117 68.868 0.037 0.000 1.196 380 T HN 0.290 nan 8.240 nan 0.000 0.768 381 T N 2.630 117.253 114.554 0.114 0.000 2.869 381 T HA 0.391 4.740 4.350 -0.001 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 69.233 68.868 0.144 0.000 0.932 381 T HN 0.493 nan 8.240 nan 0.000 0.518 382 S N 5.482 121.214 115.700 0.053 0.000 2.449 382 S HA 0.520 4.990 4.470 -0.001 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 4.472 125.707 121.223 0.020 0.000 2.281 383 L HA 0.577 4.917 4.340 -0.001 0.000 0.285 383 L C -1.071 175.806 176.870 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 5.342 125.262 119.914 0.010 0.000 2.919 384 V HA 0.481 4.601 4.120 -0.001 0.000 0.316 384 V C -0.627 175.470 176.094 0.004 0.000 1.077 384 V CA -0.821 61.484 62.300 0.008 0.000 0.977 384 V CB 2.098 33.926 31.823 0.008 0.000 1.039 384 V HN 0.600 nan 8.190 nan 0.000 0.441 385 L N 3.117 124.342 121.223 0.004 0.000 2.415 385 L HA 0.891 5.230 4.340 -0.001 0.000 0.268 385 L C 0.127 176.996 176.870 -0.002 0.000 0.984 385 L CA 1.303 56.144 54.840 0.001 0.000 0.853 385 L CB 0.538 42.600 42.059 0.005 0.000 1.215 385 L HN 1.112 nan 8.230 nan 0.000 0.419 386 G N 4.515 113.311 108.800 -0.006 0.000 2.578 386 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.232 386 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.232 386 G C 0.386 175.279 174.900 -0.012 0.000 1.176 386 G CA 0.124 45.218 45.100 -0.011 0.000 0.968 386 G HN 0.610 nan 8.290 nan 0.000 0.583 387 K N 1.213 121.605 120.400 -0.014 0.000 2.354 387 K HA 0.215 4.534 4.320 -0.001 0.000 0.194 387 K C 1.266 177.859 176.600 -0.012 0.000 1.038 387 K CA 1.115 57.393 56.287 -0.016 0.000 1.052 387 K CB 0.264 32.750 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 4.658 4.740 -0.001 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 -0.035 38.446 38.487 -0.010 0.000 1.044 388 N HN -0.148 nan 8.380 nan 0.000 0.519 389 Q N 2.032 121.833 119.800 0.001 0.000 2.337 389 Q HA 0.118 4.457 4.340 -0.001 0.000 0.255 389 Q C -0.334 175.672 176.000 0.009 0.000 1.205 389 Q CA 0.329 56.136 55.803 0.007 0.000 0.902 389 Q CB 0.007 28.750 28.738 0.010 0.000 1.433 389 Q HN 0.423 nan 8.270 nan 0.000 0.471 390 T N -0.358 114.202 114.554 0.011 0.000 2.814 390 T HA 0.260 4.610 4.350 -0.001 0.000 0.297 390 T C 0.921 175.631 174.700 0.016 0.000 0.956 390 T CA -0.556 61.551 62.100 0.013 0.000 1.123 390 T CB 0.640 69.516 68.868 0.013 0.000 0.902 390 T HN 0.518 nan 8.240 nan 0.000 0.528 391 L N 1.911 123.144 121.223 0.015 0.000 2.477 391 L HA 0.516 4.855 4.340 -0.001 0.000 0.220 391 L C 1.247 178.127 176.870 0.017 0.000 1.106 391 L CA 0.175 55.026 54.840 0.018 0.000 0.851 391 L CB -0.382 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 -0.537 122.293 122.820 0.016 0.000 2.441 392 A HA 0.485 4.804 4.320 -0.001 0.000 0.295 392 A C -0.847 176.749 177.584 0.019 0.000 0.992 392 A CA -0.169 51.878 52.037 0.017 0.000 0.603 392 A CB 0.413 19.422 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 0.590 4.940 4.350 -0.001 0.000 0.344 393 T C -0.263 174.458 174.700 0.034 0.000 1.054 393 T CA -0.055 62.062 62.100 0.028 0.000 1.092 393 T CB -0.384 68.500 68.868 0.027 0.000 1.031 393 T HN 1.470 nan 8.240 nan 0.000 0.482 394 I N 0.734 121.329 120.570 0.042 0.000 2.416 394 I HA 0.557 4.726 4.170 -0.001 0.000 0.288 394 I C 0.187 176.355 176.117 0.084 0.000 1.051 394 I CA -0.484 60.850 61.300 0.057 0.000 1.375 394 I CB 0.885 38.914 38.000 0.050 0.000 1.407 394 I HN 0.661 nan 8.210 nan 0.000 0.516 395 K N 5.754 126.194 120.400 0.067 0.000 3.200 395 K HA 0.485 4.804 4.320 -0.001 0.000 0.179 395 K C -0.446 176.168 176.600 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 33.456 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 -0.001 4.319 4.320 -0.001 0.000 0.230 396 A C -0.209 177.364 177.584 -0.019 0.000 1.051 396 A CA 0.442 52.488 52.037 0.015 0.000 0.754 396 A CB -0.011 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 1.246 121.643 120.400 -0.005 0.000 2.611 397 K HA 0.056 4.375 4.320 -0.001 0.000 0.280 397 K C 0.061 176.648 176.600 -0.021 0.000 0.964 397 K CA 0.829 57.112 56.287 -0.007 0.000 1.029 397 K CB 0.162 32.665 32.500 0.005 0.000 0.862 397 K HN 0.706 nan 8.250 nan 0.000 0.501 398 E N 2.013 122.205 120.200 -0.013 0.000 2.319 398 E HA 0.181 4.531 4.350 -0.001 0.000 0.268 398 E C 0.211 176.812 176.600 0.002 0.000 1.050 398 E CA -0.171 56.221 56.400 -0.013 0.000 0.878 398 E CB 0.535 30.234 29.700 -0.002 0.000 1.066 398 E HN 0.553 nan 8.360 nan 0.000 0.406 399 N N 1.110 119.815 118.700 0.008 0.000 2.932 399 N HA -0.345 4.394 4.740 -0.001 0.000 0.227 399 N C 1.240 176.765 175.510 0.025 0.000 0.854 399 N CA 1.606 54.670 53.050 0.023 0.000 1.064 399 N CB -0.621 37.880 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 4.200 4.340 -0.001 0.000 0.207 400 Q C 0.558 176.582 176.000 0.040 0.000 0.984 400 Q CA 1.434 57.251 55.803 0.024 0.000 0.869 400 Q CB 0.049 28.797 28.738 0.018 0.000 0.906 400 Q HN 0.563 nan 8.270 nan 0.000 0.426 401 L N -3.031 118.217 121.223 0.042 0.000 2.334 401 L HA 0.521 4.860 4.340 -0.001 0.000 0.273 401 L C 0.020 176.936 176.870 0.078 0.000 1.013 401 L CA -0.251 54.636 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 -0.461 115.290 115.700 0.085 0.000 2.603 402 S HA 0.234 4.704 4.470 -0.001 0.000 0.232 402 S C 0.419 175.062 174.600 0.071 0.000 1.016 402 S CA -0.226 58.023 58.200 0.081 0.000 0.976 402 S CB -0.034 63.208 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 4.667 4.340 -0.001 0.000 0.246 403 Q C -0.585 175.419 176.000 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 0.926 121.440 120.570 -0.094 0.000 2.441 404 I HA 0.173 4.342 4.170 -0.001 0.000 0.295 404 I C -0.714 175.333 176.117 -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 0.400 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 4.978 4.340 -0.001 0.000 0.247 405 L C 0.594 177.407 176.870 -0.095 0.000 1.204 405 L CA -0.178 54.633 54.840 -0.047 0.000 1.153 405 L CB -0.916 41.099 42.059 -0.074 0.000 1.415 405 L HN 0.729 nan 8.230 nan 0.000 0.406 406 A N 3.947 126.712 122.820 -0.092 0.000 2.366 406 A HA 0.524 4.843 4.320 -0.001 0.000 0.250 406 A C -2.248 175.300 177.584 -0.059 0.000 1.099 406 A CA -0.847 51.150 52.037 -0.067 0.000 0.794 406 A CB -0.533 18.435 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 -0.364 176.915 177.300 -0.035 0.000 1.233 407 P CA -0.179 62.892 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 0.895 119.571 118.700 -0.040 0.000 2.759 408 N HA -0.261 4.478 4.740 -0.001 0.000 0.277 408 N C -0.458 175.070 175.510 0.030 0.000 0.982 408 N CA 1.160 54.206 53.050 -0.006 0.000 0.833 408 N CB -1.440 37.064 38.487 0.029 0.000 0.927 408 N HN 0.478 nan 8.380 nan 0.000 0.573 409 N N 0.575 119.277 118.700 0.004 0.000 2.697 409 N HA 0.119 4.858 4.740 -0.001 0.000 0.271 409 N C -1.387 174.161 175.510 0.064 0.000 1.149 409 N CA -0.462 52.636 53.050 0.080 0.000 0.939 409 N CB 0.460 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 2.917 123.190 120.300 -0.045 0.000 2.717 410 Y HA -0.018 4.531 4.550 -0.001 0.000 0.330 410 Y C 1.631 177.519 175.900 -0.019 0.000 1.217 410 Y CA 0.219 58.300 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 4.397 4.550 -0.001 0.000 0.255 411 Y C -1.107 174.828 175.900 0.059 0.000 1.125 411 Y CA 0.861 58.988 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 0.412 nan 8.280 nan 0.000 0.484 412 P HA 0.026 nan 4.420 nan 0.000 0.259 412 P C -0.687 176.507 177.300 -0.176 0.000 1.635 412 P CA 0.406 63.285 63.100 -0.367 0.000 1.199 412 P CB -0.173 31.530 31.700 0.005 0.000 1.850 413 S N 4.049 119.616 115.700 -0.221 0.000 4.273 413 S HA -0.151 4.318 4.470 -0.001 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 -0.010 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 4.094 4.320 -0.001 0.000 0.204 414 K C 1.113 177.653 176.600 -0.100 0.000 1.044 414 K CA 1.859 58.066 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 -0.064 118.587 118.700 -0.081 0.000 2.378 415 N HA 0.124 4.864 4.740 -0.001 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 0.142 38.595 38.487 -0.057 0.000 1.116 415 N HN -0.002 nan 8.380 nan 0.000 0.499 416 L N -1.715 119.469 121.223 -0.064 0.000 2.218 416 L HA 0.763 5.103 4.340 -0.001 0.000 0.243 416 L C -0.703 176.143 176.870 -0.041 0.000 1.132 416 L CA -1.891 52.916 54.840 -0.055 0.000 1.052 416 L CB 0.894 42.907 42.059 -0.075 0.000 1.599 416 L HN 0.035 nan 8.230 nan 0.000 0.468 417 A N 0.709 123.512 122.820 -0.029 0.000 2.260 417 A HA 0.654 4.973 4.320 -0.001 0.000 0.312 417 A C -2.450 175.136 177.584 0.003 0.000 1.321 417 A CA -1.256 50.773 52.037 -0.012 0.000 0.928 417 A CB -0.335 18.663 19.000 -0.004 0.000 1.158 417 A HN 0.289 nan 8.150 nan 0.000 0.542 418 P HA 0.064 nan 4.420 nan 0.000 0.264 418 P C 0.052 177.372 177.300 0.033 0.000 1.193 418 P CA 0.125 63.238 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 1.827 122.434 120.570 0.062 0.000 2.872 419 I HA 0.085 4.255 4.170 -0.001 0.000 0.291 419 I C 0.581 176.703 176.117 0.009 0.000 1.216 419 I CA 0.409 61.742 61.300 0.057 0.000 1.424 419 I CB 0.426 38.473 38.000 0.079 0.000 1.351 419 I HN 0.362 nan 8.210 nan 0.000 0.592 420 A N 7.675 130.501 122.820 0.011 0.000 2.318 420 A HA 0.602 4.921 4.320 -0.001 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 0.851 19.852 19.000 0.001 0.000 1.194 420 A HN 0.645 nan 8.150 nan 0.000 0.479 421 L N 1.530 122.744 121.223 -0.015 0.000 2.483 421 L HA 0.002 4.341 4.340 -0.001 0.000 0.277 421 L C 0.492 177.362 176.870 -0.000 0.000 1.248 421 L CA -0.461 54.373 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 0.745 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 4.544 4.740 -0.001 0.000 0.305 422 N C 0.111 175.625 175.510 0.006 0.000 1.084 422 N CA 1.053 54.108 53.050 0.008 0.000 0.842 422 N CB -0.171 38.321 38.487 0.008 0.000 0.953 422 N HN 0.718 nan 8.380 nan 0.000 0.625 423 A N 0.787 123.612 122.820 0.008 0.000 2.502 423 A HA 0.181 4.500 4.320 -0.001 0.000 0.253 423 A C 0.203 177.793 177.584 0.010 0.000 0.938 423 A CA -0.211 51.830 52.037 0.006 0.000 1.086 423 A CB 0.652 19.654 19.000 0.003 0.000 1.176 423 A HN 0.444 nan 8.150 nan 0.000 0.499 429 S N -0.817 114.889 115.700 0.011 0.000 2.684 429 S HA 0.317 4.786 4.470 -0.001 0.000 0.268 429 S C 0.239 174.845 174.600 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 1.146 115.706 114.554 0.011 0.000 3.009 430 T HA 0.683 5.032 4.350 -0.001 0.000 0.346 430 T C -2.710 171.997 174.700 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 -0.555 62.553 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 -0.001 0.000 0.283 432 I C -0.241 175.895 176.117 0.031 0.000 1.016 432 I CA -0.476 60.837 61.300 0.022 0.000 1.151 432 I CB 1.134 39.145 38.000 0.018 0.000 1.293 432 I HN 0.025 nan 8.210 nan 0.000 0.458 433 T N 7.324 121.897 114.554 0.033 0.000 2.884 433 T HA 0.473 4.822 4.350 -0.001 0.000 0.298 433 T C -0.251 174.483 174.700 0.057 0.000 0.998 433 T CA -0.085 62.040 62.100 0.042 0.000 1.124 433 T CB 0.874 69.763 68.868 0.035 0.000 0.931 433 T HN 0.551 nan 8.240 nan 0.000 0.531 434 M N 4.285 123.931 119.600 0.078 0.000 2.221 434 M HA 0.285 4.764 4.480 -0.001 0.000 0.259 434 M C -1.026 175.355 176.300 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 4.866 4.740 -0.001 0.000 0.260 435 N C 0.473 176.108 175.510 0.209 0.000 1.242 435 N CA -0.299 52.837 53.050 0.142 0.000 0.959 435 N CB 0.365 38.921 38.487 0.114 0.000 1.201 435 N HN 0.600 nan 8.380 nan 0.000 0.511 436 Y N 0.639 120.976 120.300 0.061 0.000 2.102 436 Y HA -0.305 4.244 4.550 -0.001 0.000 0.280 436 Y C 1.440 177.425 175.900 0.142 0.000 1.178 436 Y CA 2.203 60.347 58.100 0.074 0.000 1.146 436 Y CB -0.665 37.808 38.460 0.022 0.000 0.968 436 Y HN 0.703 nan 8.280 nan 0.000 0.504 437 N N -0.728 118.060 118.700 0.146 0.000 2.104 437 N HA -0.233 4.506 4.740 -0.001 0.000 0.190 437 N C 1.757 177.291 175.510 0.040 0.000 1.024 437 N CA 1.347 54.429 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 0.569 nan 8.380 nan 0.000 0.424 438 Q N 0.467 120.319 119.800 0.087 0.000 1.990 438 Q HA -0.129 4.210 4.340 -0.001 0.000 0.200 438 Q C 1.858 177.924 176.000 0.110 0.000 0.980 438 Q CA 1.125 56.978 55.803 0.083 0.000 0.832 438 Q CB -0.362 28.433 28.738 0.094 0.000 0.897 438 Q HN 0.334 nan 8.270 nan 0.000 0.427 439 F N 1.535 121.489 119.950 0.007 0.000 2.225 439 F HA -0.259 4.267 4.527 -0.002 0.000 0.302 439 F C 1.816 177.627 175.800 0.020 0.000 1.068 439 F CA 0.893 58.914 58.000 0.036 0.000 1.327 439 F CB -0.085 38.943 39.000 0.045 0.000 1.043 439 F HN 0.058 nan 8.300 nan 0.000 0.506 440 L N 0.624 121.923 121.223 0.127 0.000 2.023 440 L HA -0.132 4.207 4.340 -0.001 0.000 0.205 440 L C 2.297 179.140 176.870 -0.045 0.000 1.073 440 L CA 1.897 56.729 54.840 -0.014 0.000 0.745 440 L CB -1.112 40.856 42.059 -0.152 0.000 0.900 440 L HN 0.162 nan 8.230 nan 0.000 0.435 441 E N -0.610 119.572 120.200 -0.031 0.000 2.049 441 E HA -0.303 4.047 4.350 -0.001 0.000 0.198 441 E C 2.144 178.718 176.600 -0.043 0.000 1.007 441 E CA 1.618 57.996 56.400 -0.037 0.000 0.809 441 E CB -0.482 29.207 29.700 -0.017 0.000 0.749 441 E HN 0.375 nan 8.360 nan 0.000 0.450 442 L N 1.776 122.983 121.223 -0.027 0.000 2.034 442 L HA -0.296 4.043 4.340 -0.001 0.000 0.217 442 L C 2.255 179.155 176.870 0.050 0.000 1.077 442 L CA 2.184 57.030 54.840 0.010 0.000 0.769 442 L CB -0.514 41.524 42.059 -0.036 0.000 0.890 442 L HN 0.146 nan 8.230 nan 0.000 0.435 443 E N -0.725 119.452 120.200 -0.039 0.000 2.106 443 E HA -0.289 4.061 4.350 -0.001 0.000 0.192 443 E C 2.250 178.643 176.600 -0.345 0.000 0.984 443 E CA 1.186 57.308 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 -0.226 120.056 120.400 -0.196 0.000 2.280 444 K HA -0.119 4.200 4.320 -0.001 0.000 0.202 444 K C 1.643 178.162 176.600 -0.135 0.000 1.047 444 K CA 1.750 57.942 56.287 -0.159 0.000 0.942 444 K CB 0.075 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 -0.001 0.000 0.254 445 T C 0.164 174.836 174.700 -0.047 0.000 0.961 445 T CA -0.341 61.715 62.100 -0.075 0.000 0.915 445 T CB 0.154 68.993 68.868 -0.049 0.000 1.186 445 T HN 0.150 nan 8.240 nan 0.000 0.505 446 K N 1.879 122.273 120.400 -0.009 0.000 3.035 446 K HA -0.207 4.112 4.320 -0.001 0.000 0.262 446 K C -0.300 176.339 176.600 0.066 0.000 1.024 446 K CA 1.058 57.401 56.287 0.093 0.000 0.748 446 K CB -1.675 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 -0.443 119.376 119.800 0.032 0.000 2.309 447 Q HA 0.695 5.035 4.340 -0.001 0.000 0.273 447 Q C -1.125 174.880 176.000 0.007 0.000 1.040 447 Q CA -1.182 54.630 55.803 0.015 0.000 0.834 447 Q CB 1.693 30.429 28.738 -0.003 0.000 1.345 447 Q HN 0.132 nan 8.270 nan 0.000 0.414 448 L N 1.126 122.351 121.223 0.005 0.000 2.279 448 L HA 0.742 5.081 4.340 -0.001 0.000 0.262 448 L C -0.343 176.527 176.870 -0.001 0.000 1.019 448 L CA -1.168 53.672 54.840 0.000 0.000 0.823 448 L CB 2.246 44.304 42.059 -0.002 0.000 1.358 448 L HN 0.692 nan 8.230 nan 0.000 0.432 449 R N 0.761 121.261 120.500 -0.000 0.000 2.740 449 R HA 0.730 5.069 4.340 -0.001 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 31.974 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 -0.001 0.000 0.270 450 L C -1.295 175.596 176.870 0.034 0.000 0.991 450 L CA -0.815 54.038 54.840 0.022 0.000 0.851 450 L CB 1.983 44.056 42.059 0.023 0.000 1.218 450 L HN 0.589 nan 8.230 nan 0.000 0.420 451 D N 1.391 121.814 120.400 0.038 0.000 2.168 451 D HA 0.566 5.205 4.640 -0.001 0.000 0.246 451 D C -0.437 175.902 176.300 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 42.919 40.800 0.038 0.000 1.169 451 D HN 0.275 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 4.719 4.350 -0.001 0.000 0.287 452 T C -0.319 174.442 174.700 0.103 0.000 1.003 452 T CA -1.002 61.158 62.100 0.100 0.000 0.977 452 T CB 1.375 70.316 68.868 0.121 0.000 0.996 452 T HN 0.375 nan 8.240 nan 0.000 0.448 453 D N 1.691 122.152 120.400 0.103 0.000 2.289 453 D HA 0.076 4.715 4.640 -0.001 0.000 0.266 453 D C 0.629 177.015 176.300 0.143 0.000 1.243 453 D CA -0.165 53.892 54.000 0.095 0.000 1.019 453 D CB 0.590 41.436 40.800 0.076 0.000 1.126 453 D HN 0.524 nan 8.370 nan 0.000 0.541 454 Q N -1.441 118.397 119.800 0.064 0.000 2.140 454 Q HA 0.197 4.536 4.340 -0.001 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 1.546 30.138 28.738 -0.244 0.000 1.161 454 Q HN 0.318 nan 8.270 nan 0.000 0.480 455 V N 2.186 122.125 119.914 0.043 0.000 2.400 455 V HA 0.068 4.187 4.120 -0.001 0.000 0.263 455 V C -0.859 175.443 176.094 0.347 0.000 1.026 455 V CA 0.388 62.748 62.300 0.099 0.000 1.077 455 V CB -0.684 31.190 31.823 0.085 0.000 1.054 455 V HN 0.142 nan 8.190 nan 0.000 0.477 456 Y N 4.523 124.869 120.300 0.076 0.000 2.496 456 Y HA 0.619 5.167 4.550 -0.003 0.000 0.331 456 Y C 1.285 177.297 175.900 0.186 0.000 1.140 456 Y CA -1.020 57.128 58.100 0.079 0.000 1.166 456 Y CB 1.544 40.008 38.460 0.007 0.000 1.249 456 Y HN 0.669 nan 8.280 nan 0.000 0.479 457 G N 0.979 109.976 108.800 0.328 0.000 2.744 457 G HA2 -0.040 3.919 3.960 -0.001 0.000 0.257 457 G HA3 -0.040 3.919 3.960 -0.001 0.000 0.257 457 G C -0.342 174.741 174.900 0.304 0.000 1.244 457 G CA -0.579 44.671 45.100 0.250 0.000 0.916 457 G HN 0.778 nan 8.290 nan 0.000 0.564 458 N N -1.541 117.254 118.700 0.158 0.000 2.235 458 N HA 0.160 4.899 4.740 -0.001 0.000 0.231 458 N C -0.002 175.523 175.510 0.025 0.000 1.330 458 N CA -0.066 53.010 53.050 0.043 0.000 0.898 458 N CB 0.562 39.041 38.487 -0.014 0.000 1.151 458 N HN 0.281 nan 8.380 nan 0.000 0.472 459 I N 0.103 120.555 120.570 -0.198 0.000 2.607 459 I HA 0.376 4.545 4.170 -0.001 0.000 0.305 459 I C -0.100 175.868 176.117 -0.247 0.000 0.995 459 I CA -0.938 60.202 61.300 -0.267 0.000 1.148 459 I CB 1.658 39.238 38.000 -0.701 0.000 1.323 459 I HN 0.443 nan 8.210 nan 0.000 0.461 460 A N 3.644 126.318 122.820 -0.244 0.000 2.252 460 A HA 0.589 4.908 4.320 -0.001 0.000 0.309 460 A C -0.167 177.322 177.584 -0.158 0.000 1.285 460 A CA -0.238 51.599 52.037 -0.333 0.000 0.900 460 A CB 0.742 19.304 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 0.547 4.896 4.350 -0.001 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 1.644 121.943 120.300 -0.002 0.000 2.262 462 Y HA 0.493 5.043 4.550 -0.001 0.000 0.368 462 Y C 0.522 176.442 175.900 0.032 0.000 1.352 462 Y CA -0.435 57.683 58.100 0.029 0.000 1.760 462 Y CB 0.544 39.029 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 -0.552 0.000 3.304 463 N HA 0.026 4.766 4.740 -0.001 0.000 0.187 463 N C 0.168 175.585 175.510 -0.155 0.000 1.482 463 N CA -0.014 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 0.045 119.823 119.950 -0.286 0.000 2.079 464 F HA -0.338 4.187 4.527 -0.002 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 -0.071 0.000 1.236 464 F CB -0.363 38.719 39.000 0.137 0.000 0.984 464 F HN 0.248 nan 8.300 nan 0.000 0.488 465 E N 2.146 122.248 120.200 -0.163 0.000 2.072 465 E HA -0.288 4.061 4.350 -0.001 0.000 0.218 465 E C 1.178 177.689 176.600 -0.149 0.000 1.051 465 E CA 2.363 58.572 56.400 -0.318 0.000 0.880 465 E CB -0.867 28.695 29.700 -0.231 0.000 0.783 465 E HN 0.775 nan 8.360 nan 0.000 0.473 466 N N -1.405 117.231 118.700 -0.107 0.000 2.351 466 N HA 0.226 4.966 4.740 -0.001 0.000 0.254 466 N C 0.236 175.688 175.510 -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 39.158 38.487 -0.064 0.000 1.202 466 N HN 0.173 nan 8.380 nan 0.000 0.512 467 G N 1.010 109.707 108.800 -0.171 0.000 2.357 467 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.282 467 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.282 467 G C -0.285 174.497 174.900 -0.196 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 -0.483 119.860 120.500 -0.261 0.000 2.803 468 R HA 0.616 4.955 4.340 -0.001 0.000 0.276 468 R C -0.417 175.837 176.300 -0.078 0.000 0.978 468 R CA -0.921 55.116 56.100 -0.106 0.000 0.939 468 R CB 1.701 31.959 30.300 -0.070 0.000 1.179 468 R HN 0.102 nan 8.270 nan 0.000 0.472 469 V N 4.451 124.372 119.914 0.013 0.000 2.334 469 V HA 0.380 4.499 4.120 -0.001 0.000 0.267 469 V C 0.188 176.268 176.094 -0.024 0.000 1.040 469 V CA -0.330 61.993 62.300 0.038 0.000 0.866 469 V CB 0.837 32.714 31.823 0.089 0.000 1.019 469 V HN 0.661 nan 8.190 nan 0.000 0.468 470 R N 3.562 124.028 120.500 -0.057 0.000 2.832 470 R HA 0.744 5.083 4.340 -0.001 0.000 0.271 470 R C -1.384 174.831 176.300 -0.142 0.000 0.996 470 R CA -0.663 55.388 56.100 -0.083 0.000 0.977 470 R CB 2.195 32.457 30.300 -0.064 0.000 1.168 470 R HN 0.434 nan 8.270 nan 0.000 0.482 471 V N 3.060 122.891 119.914 -0.139 0.000 2.288 471 V HA 0.113 4.232 4.120 -0.001 0.000 0.266 471 V C -0.470 175.555 176.094 -0.114 0.000 1.048 471 V CA -0.642 61.560 62.300 -0.163 0.000 0.842 471 V CB 0.708 32.456 31.823 -0.126 0.000 1.064 471 V HN 0.730 nan 8.190 nan 0.000 0.472 472 D N 3.676 123.995 120.400 -0.135 0.000 2.338 472 D HA 0.082 4.721 4.640 -0.001 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 1.512 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 4.315 4.350 -0.001 0.000 0.270 473 T C 1.746 176.404 174.700 -0.070 0.000 1.126 473 T CA 0.565 62.630 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 0.186 108.932 108.800 -0.091 0.000 2.777 474 G HA2 0.284 4.244 3.960 -0.001 0.000 0.211 474 G HA3 0.284 4.244 3.960 -0.001 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 0.393 4.863 4.470 -0.001 0.000 0.307 475 S C -1.058 173.397 174.600 -0.243 0.000 1.127 475 S CA -0.830 57.242 58.200 -0.213 0.000 1.097 475 S CB 1.425 64.457 63.200 -0.280 0.000 1.003 475 S HN 0.304 nan 8.310 nan 0.000 0.477 476 N N 1.492 120.080 118.700 -0.185 0.000 2.321 476 N HA 0.241 4.980 4.740 -0.001 0.000 0.299 476 N C 0.463 175.903 175.510 -0.116 0.000 1.048 476 N CA -0.732 52.236 53.050 -0.136 0.000 0.836 476 N CB 0.877 39.355 38.487 -0.014 0.000 1.269 476 N HN 0.572 nan 8.380 nan 0.000 0.486 477 W N 1.930 123.236 121.300 0.009 0.000 2.290 477 W HA -0.192 4.467 4.660 -0.001 0.000 0.311 477 W C 2.251 178.743 176.519 -0.045 0.000 1.238 477 W CA 0.972 58.313 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 -0.055 115.739 115.700 0.157 0.000 2.461 478 S HA -0.240 4.229 4.470 -0.001 0.000 0.246 478 S C 1.380 176.003 174.600 0.038 0.000 1.007 478 S CA 1.798 60.035 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 -0.010 120.203 120.200 0.022 0.000 2.094 479 E HA 0.069 4.418 4.350 -0.001 0.000 0.193 479 E C 0.106 176.707 176.600 0.002 0.000 0.950 479 E CA 0.488 56.883 56.400 -0.008 0.000 0.842 479 E CB 0.247 29.919 29.700 -0.047 0.000 0.816 479 E HN 0.161 nan 8.360 nan 0.000 0.465 480 V N 2.724 122.634 119.914 -0.006 0.000 2.154 480 V HA 0.179 4.298 4.120 -0.001 0.000 0.265 480 V C 0.333 176.511 176.094 0.141 0.000 1.293 480 V CA 0.268 62.577 62.300 0.015 0.000 1.205 480 V CB 0.518 32.297 31.823 -0.072 0.000 1.306 480 V HN 0.242 nan 8.190 nan 0.000 0.479 481 L N 2.352 123.664 121.223 0.148 0.000 2.481 481 L HA 0.260 4.599 4.340 -0.001 0.000 0.253 481 L C -1.277 175.658 176.870 0.108 0.000 1.071 481 L CA 0.428 55.394 54.840 0.210 0.000 1.189 481 L CB 0.889 43.097 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 1.268 64.394 63.100 0.044 0.000 0.853 482 P CB 0.051 31.770 31.700 0.032 0.000 0.788 483 Q N -0.489 119.329 119.800 0.029 0.000 2.062 483 Q HA -0.198 4.141 4.340 -0.001 0.000 0.209 483 Q C 2.149 178.150 176.000 0.001 0.000 0.996 483 Q CA 1.561 57.375 55.803 0.017 0.000 0.859 483 Q CB -1.615 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 1.404 121.969 120.570 -0.009 0.000 2.113 484 I HA -0.315 3.854 4.170 -0.001 0.000 0.242 484 I C 2.366 178.427 176.117 -0.094 0.000 1.064 484 I CA 1.686 62.936 61.300 -0.082 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 -0.053 0.000 2.369 485 Q HA -0.119 4.221 4.340 -0.001 0.000 0.206 485 Q C 1.315 177.316 176.000 0.003 0.000 0.963 485 Q CA 0.743 56.536 55.803 -0.016 0.000 0.894 485 Q CB -0.045 28.713 28.738 0.034 0.000 0.965 485 Q HN 0.518 nan 8.270 nan 0.000 0.475 486 E N 0.221 120.421 120.200 0.000 0.000 2.481 486 E HA 0.013 4.362 4.350 -0.001 0.000 0.198 486 E C 0.580 177.180 176.600 -0.000 0.000 1.027 486 E CA 0.535 56.938 56.400 0.006 0.000 0.900 486 E CB 1.065 30.770 29.700 0.009 0.000 0.993 486 E HN 0.310 nan 8.360 nan 0.000 0.482 487 T N -1.731 112.817 114.554 -0.010 0.000 3.967 487 T HA 0.236 4.585 4.350 -0.001 0.000 0.262 487 T C 0.032 174.719 174.700 -0.022 0.000 0.966 487 T CA -0.344 61.750 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 -1.639 112.899 114.554 -0.027 0.000 2.665 488 T HA 0.829 5.178 4.350 -0.001 0.000 0.303 488 T C -1.337 173.349 174.700 -0.022 0.000 1.334 488 T CA -0.579 61.498 62.100 -0.040 0.000 1.011 488 T CB 1.371 70.190 68.868 -0.082 0.000 1.573 488 T HN 0.799 nan 8.240 nan 0.000 0.492 489 A N 0.812 123.617 122.820 -0.025 0.000 2.331 489 A HA 0.809 5.128 4.320 -0.001 0.000 0.320 489 A C -0.125 177.464 177.584 0.007 0.000 1.138 489 A CA -0.853 51.184 52.037 0.001 0.000 0.790 489 A CB 1.125 20.123 19.000 -0.004 0.000 1.206 489 A HN 0.826 nan 8.150 nan 0.000 0.470 490 R N 2.978 123.505 120.500 0.044 0.000 2.346 490 R HA 0.640 4.980 4.340 -0.001 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 0.522 30.871 30.300 0.082 0.000 1.100 490 R HN 0.716 nan 8.270 nan 0.000 0.453 491 I N 5.914 126.533 120.570 0.082 0.000 2.478 491 I HA 0.293 4.462 4.170 -0.001 0.000 0.287 491 I C -0.304 175.898 176.117 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 40.205 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 0.296 4.465 4.170 -0.001 0.000 0.288 492 I C -0.516 175.471 176.117 -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 7.823 127.504 119.950 -0.449 0.000 2.538 493 F HA 0.529 5.055 4.527 -0.002 0.000 0.325 493 F C -0.131 175.429 175.800 -0.401 0.000 1.066 493 F CA -0.997 56.590 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 2.701 120.642 118.700 -1.265 0.000 2.752 494 N HA 0.261 5.001 4.740 -0.001 0.000 0.260 494 N C -0.168 174.712 175.510 -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 1.278 109.186 108.800 -1.486 0.000 2.742 495 G HA2 -0.045 3.915 3.960 -0.001 0.000 0.204 495 G HA3 -0.045 3.915 3.960 -0.001 0.000 0.204 495 G C 1.154 176.077 174.900 0.039 0.000 1.126 495 G CA -0.070 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 -0.040 120.411 120.400 0.084 0.000 2.218 496 K HA -0.011 4.308 4.320 -0.001 0.000 0.205 496 K C 0.304 176.947 176.600 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 -0.001 0.000 0.350 497 D C -0.109 176.132 176.300 -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 0.568 121.721 121.223 -0.116 0.000 2.693 498 L HA 0.267 4.606 4.340 -0.001 0.000 0.235 498 L C -0.188 176.607 176.870 -0.125 0.000 1.127 498 L CA 0.241 54.987 54.840 -0.156 0.000 0.914 498 L CB -1.177 40.731 42.059 -0.253 0.000 1.193 498 L HN 0.086 nan 8.230 nan 0.000 0.502 499 N N 1.177 119.812 118.700 -0.107 0.000 2.408 499 N HA 0.237 4.976 4.740 -0.001 0.000 0.257 499 N C -0.108 175.326 175.510 -0.127 0.000 1.064 499 N CA -0.174 52.817 53.050 -0.098 0.000 0.952 499 N CB 0.762 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 -0.001 0.000 0.276 500 L C -0.197 176.598 176.870 -0.126 0.000 1.200 500 L CA 0.060 54.790 54.840 -0.183 0.000 0.951 500 L CB -0.561 41.371 42.059 -0.211 0.000 1.226 500 L HN 0.192 nan 8.230 nan 0.000 0.489 501 V N 3.765 123.628 119.914 -0.084 0.000 2.427 501 V HA 0.296 4.415 4.120 -0.001 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 1.814 33.728 31.823 0.152 0.000 0.982 501 V HN 0.743 nan 8.190 nan 0.000 0.452 502 E N 4.176 124.418 120.200 0.069 0.000 2.212 502 E HA 0.725 5.074 4.350 -0.001 0.000 0.270 502 E C -1.019 175.642 176.600 0.101 0.000 0.956 502 E CA -0.857 55.590 56.400 0.078 0.000 0.825 502 E CB 1.197 30.908 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 4.694 4.340 -0.001 0.000 0.261 503 R C -1.281 175.017 176.300 -0.004 0.000 1.080 503 R CA -0.673 55.425 56.100 -0.005 0.000 0.917 503 R CB 1.624 31.692 30.300 -0.387 0.000 1.252 503 R HN 0.630 nan 8.270 nan 0.000 0.456 504 R N 1.657 122.134 120.500 -0.038 0.000 2.599 504 R HA 0.589 4.928 4.340 -0.001 0.000 0.295 504 R C -0.288 175.937 176.300 -0.124 0.000 0.963 504 R CA -0.950 55.091 56.100 -0.098 0.000 0.883 504 R CB 1.641 31.817 30.300 -0.207 0.000 1.171 504 R HN 0.285 nan 8.270 nan 0.000 0.450 505 I N 1.451 121.960 120.570 -0.101 0.000 2.525 505 I HA 0.265 4.434 4.170 -0.001 0.000 0.301 505 I C 0.436 176.508 176.117 -0.076 0.000 0.992 505 I CA -0.414 60.822 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 4.990 127.771 122.820 -0.064 0.000 2.993 506 A HA 0.543 4.863 4.320 -0.001 0.000 0.281 506 A C 0.752 178.320 177.584 -0.027 0.000 1.847 506 A CA 0.100 52.117 52.037 -0.033 0.000 1.470 506 A CB -1.319 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 1.386 124.189 122.820 -0.029 0.000 2.260 507 A HA 0.669 4.988 4.320 -0.001 0.000 0.278 507 A C 0.570 178.146 177.584 -0.014 0.000 1.269 507 A CA 0.373 52.396 52.037 -0.022 0.000 0.824 507 A CB 0.073 19.060 19.000 -0.021 0.000 1.238 507 A HN 1.852 nan 8.150 nan 0.000 0.507 508 V N -1.891 118.015 119.914 -0.013 0.000 2.962 508 V HA 0.702 4.821 4.120 -0.001 0.000 0.313 508 V C -0.736 175.353 176.094 -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 -0.001 0.000 0.294 509 N C -1.997 173.510 175.510 -0.005 0.000 1.029 509 N CA -1.909 51.138 53.050 -0.005 0.000 0.845 509 N CB 3.095 41.580 38.487 -0.003 0.000 1.321 509 N HN 0.569 nan 8.380 nan 0.000 0.481 510 P HA -0.008 nan 4.420 nan 0.000 0.218 510 P C 0.811 178.108 177.300 -0.004 0.000 1.152 510 P CA 0.851 63.948 63.100 -0.006 0.000 0.826 510 P CB 0.431 32.126 31.700 -0.009 0.000 0.790 511 S N -0.488 115.209 115.700 -0.004 0.000 2.507 511 S HA -0.061 4.409 4.470 -0.001 0.000 0.235 511 S C 0.844 175.443 174.600 -0.001 0.000 0.988 511 S CA 0.651 58.849 58.200 -0.003 0.000 0.944 511 S CB -0.710 62.488 63.200 -0.004 0.000 0.762 511 S HN 0.221 nan 8.310 nan 0.000 0.526 512 D N 0.793 121.193 120.400 -0.000 0.000 2.392 512 D HA 0.299 4.939 4.640 -0.001 0.000 0.228 512 D C -1.996 174.307 176.300 0.004 0.000 1.074 512 D CA -2.562 51.440 54.000 0.002 0.000 0.838 512 D CB 1.543 42.345 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 0.602 63.706 63.100 0.006 0.000 0.929 513 P CB 0.138 31.841 31.700 0.006 0.000 0.789 514 L N 0.354 121.583 121.223 0.011 0.000 1.991 514 L HA -0.221 4.118 4.340 -0.001 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 -0.855 119.353 120.200 0.012 0.000 2.527 515 E HA -0.085 4.265 4.350 -0.001 0.000 0.204 515 E C 1.409 178.013 176.600 0.008 0.000 1.132 515 E CA 0.931 57.337 56.400 0.011 0.000 0.905 515 E CB -0.405 29.299 29.700 0.007 0.000 0.875 515 E HN 0.630 nan 8.360 nan 0.000 0.548 516 T N -2.330 112.229 114.554 0.009 0.000 2.990 516 T HA 0.025 4.374 4.350 -0.001 0.000 0.250 516 T C 1.464 176.170 174.700 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 4.397 4.350 -0.001 0.000 0.266 517 T C 0.771 175.484 174.700 0.021 0.000 1.145 517 T CA 0.673 62.785 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 2.005 122.415 120.400 0.017 0.000 2.168 518 K HA 0.280 4.599 4.320 -0.001 0.000 0.258 518 K C -2.823 173.784 176.600 0.012 0.000 1.010 518 K CA -1.873 54.425 56.287 0.017 0.000 0.929 518 K CB 0.067 32.575 32.500 0.012 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 -0.966 176.333 177.300 -0.003 0.000 1.243 519 P CA -0.101 63.002 63.100 0.004 0.000 0.768 519 P CB 0.438 32.139 31.700 0.003 0.000 0.856 520 D N 2.679 123.076 120.400 -0.005 0.000 2.525 520 D HA 0.007 4.646 4.640 -0.001 0.000 0.235 520 D C 0.084 176.375 176.300 -0.016 0.000 1.137 520 D CA 0.911 54.905 54.000 -0.010 0.000 0.868 520 D CB 0.452 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 1.667 121.255 119.600 -0.020 0.000 2.456 521 M HA 0.229 4.708 4.480 -0.001 0.000 0.324 521 M C -0.586 175.697 176.300 -0.028 0.000 1.124 521 M CA -0.442 54.842 55.300 -0.027 0.000 0.959 521 M CB 1.957 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 2.129 116.665 114.554 -0.030 0.000 2.829 522 T HA 0.386 4.736 4.350 -0.001 0.000 0.280 522 T C 0.638 175.321 174.700 -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 2.432 123.644 121.223 -0.020 0.000 2.051 523 L HA -0.054 4.286 4.340 -0.001 0.000 0.214 523 L C 2.443 179.296 176.870 -0.029 0.000 1.076 523 L CA 2.145 56.984 54.840 -0.001 0.000 0.758 523 L CB -0.833 41.254 42.059 0.045 0.000 0.890 523 L HN 0.946 nan 8.230 nan 0.000 0.433 524 K N -0.405 119.976 120.400 -0.030 0.000 1.965 524 K HA -0.303 4.016 4.320 -0.001 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 -0.285 4.064 4.350 -0.001 0.000 0.206 525 E C 1.566 178.134 176.600 -0.053 0.000 1.032 525 E CA 1.971 58.353 56.400 -0.031 0.000 0.832 525 E CB -0.383 29.296 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 -0.193 4.127 4.320 -0.001 0.000 0.216 526 A C 2.077 179.624 177.584 -0.061 0.000 1.199 526 A CA 1.821 53.813 52.037 -0.076 0.000 0.621 526 A CB -1.010 17.956 19.000 -0.056 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 4.162 4.340 -0.001 0.000 0.230 527 L C 2.245 179.163 176.870 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 41.191 42.059 -0.695 0.000 0.939 527 L HN 0.394 nan 8.230 nan 0.000 0.452 528 K N -0.364 120.071 120.400 0.060 0.000 2.067 528 K HA 0.047 4.366 4.320 -0.001 0.000 0.203 528 K C 1.967 178.622 176.600 0.091 0.000 1.048 528 K CA 1.415 57.779 56.287 0.127 0.000 0.954 528 K CB -0.035 32.506 32.500 0.069 0.000 0.737 528 K HN 0.373 nan 8.250 nan 0.000 0.444 529 I N -2.042 118.518 120.570 -0.017 0.000 2.585 529 I HA 0.107 4.276 4.170 -0.001 0.000 0.254 529 I C 2.391 178.425 176.117 -0.138 0.000 1.129 529 I CA 0.632 61.880 61.300 -0.086 0.000 1.455 529 I CB -0.479 37.363 38.000 -0.263 0.000 1.111 529 I HN -0.117 nan 8.210 nan 0.000 0.433 530 A N 1.769 124.466 122.820 -0.205 0.000 1.883 530 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 530 A C 1.863 179.026 177.584 -0.703 0.000 1.186 530 A CA 2.130 53.873 52.037 -0.491 0.000 0.624 530 A CB -0.845 17.822 19.000 -0.554 0.000 0.822 530 A HN 0.561 nan 8.150 nan 0.000 0.444 531 F N -3.386 116.599 119.950 0.058 0.000 2.640 531 F HA 0.451 4.977 4.527 -0.001 0.000 0.285 531 F C 1.688 177.645 175.800 0.262 0.000 1.031 531 F CA 0.560 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 -0.009 109.055 108.800 0.441 0.000 2.200 532 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.145 532 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.145 532 G C -0.122 174.977 174.900 0.331 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 2.546 122.638 119.950 0.237 0.000 2.595 533 F HA 0.362 4.888 4.527 -0.001 0.000 0.359 533 F C 1.172 177.034 175.800 0.103 0.000 1.147 533 F CA 0.584 58.698 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 0.994 119.826 118.700 0.220 0.000 2.571 534 N HA 0.310 5.050 4.740 -0.001 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 1.561 40.091 38.487 0.071 0.000 1.514 534 N HN 0.548 nan 8.380 nan 0.000 0.499 535 E N 0.184 120.445 120.200 0.102 0.000 2.546 535 E HA 0.272 4.621 4.350 -0.001 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 1.308 31.058 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 0.170 177.496 177.300 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 -2.285 116.444 118.700 0.048 0.000 2.338 537 N HA 0.304 5.044 4.740 -0.001 0.000 0.251 537 N C 0.370 175.908 175.510 0.047 0.000 1.199 537 N CA 0.464 53.539 53.050 0.042 0.000 0.879 537 N CB 0.861 39.370 38.487 0.037 0.000 1.159 537 N HN 0.149 nan 8.380 nan 0.000 0.514 538 G N 1.024 109.857 108.800 0.055 0.000 2.179 538 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.220 538 G HA3 -0.221 3.739 3.960 -0.001 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 -0.001 0.000 0.265 539 N C -0.413 175.182 175.510 0.142 0.000 0.975 539 N CA -0.822 52.291 53.050 0.105 0.000 0.928 539 N CB 1.884 40.430 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 -0.001 0.000 0.281 540 L C 0.369 177.449 176.870 0.350 0.000 1.212 540 L CA 0.571 55.549 54.840 0.230 0.000 1.082 540 L CB -0.921 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 2.974 122.961 119.800 0.312 0.000 2.385 541 Q HA 0.391 4.730 4.340 -0.001 0.000 0.262 541 Q C -1.397 174.696 176.000 0.154 0.000 1.050 541 Q CA -0.919 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 0.731 120.916 120.300 -0.191 0.000 2.426 542 Y HA 0.205 4.754 4.550 -0.001 0.000 0.325 542 Y C -0.618 175.182 175.900 -0.166 0.000 0.989 542 Y CA -0.420 57.336 58.100 -0.573 0.000 1.284 542 Y CB 0.879 38.599 38.460 -1.232 0.000 1.104 542 Y HN 0.949 nan 8.280 nan 0.000 0.481 543 Q N 3.874 123.342 119.800 -0.553 0.000 2.426 543 Q HA -0.327 4.013 4.340 -0.001 0.000 0.254 543 Q C 1.038 176.955 176.000 -0.137 0.000 1.017 543 Q CA 1.421 56.997 55.803 -0.378 0.000 1.083 543 Q CB -1.348 27.063 28.738 -0.545 0.000 1.552 543 Q HN 1.238 nan 8.270 nan 0.000 0.532 544 G N -0.711 108.062 108.800 -0.046 0.000 3.330 544 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.197 544 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.197 544 G C -0.214 174.749 174.900 0.105 0.000 1.284 544 G CA -0.261 44.857 45.100 0.031 0.000 0.921 544 G HN 0.145 nan 8.290 nan 0.000 0.466 545 K N 1.771 122.284 120.400 0.187 0.000 2.382 545 K HA 0.357 4.677 4.320 -0.001 0.000 0.275 545 K C -0.730 176.094 176.600 0.373 0.000 1.009 545 K CA -0.101 56.357 56.287 0.285 0.000 0.970 545 K CB 0.990 33.759 32.500 0.449 0.000 0.934 545 K HN 0.316 nan 8.250 nan 0.000 0.479 546 D N 2.442 123.036 120.400 0.323 0.000 2.256 546 D HA -0.007 4.632 4.640 -0.001 0.000 0.250 546 D C 0.927 177.559 176.300 0.553 0.000 1.093 546 D CA -0.410 53.797 54.000 0.345 0.000 0.882 546 D CB 1.053 41.970 40.800 0.194 0.000 1.185 546 D HN 0.374 nan 8.370 nan 0.000 0.437 547 I N 3.565 124.489 120.570 0.589 0.000 2.597 547 I HA -0.283 3.886 4.170 -0.001 0.000 0.262 547 I C 1.939 178.509 176.117 0.756 0.000 1.194 547 I CA 2.007 63.725 61.300 0.697 0.000 1.437 547 I CB -0.423 37.852 38.000 0.459 0.000 1.096 547 I HN 0.533 nan 8.210 nan 0.000 0.451 548 T N -3.592 111.210 114.554 0.414 0.000 3.113 548 T HA 0.064 4.414 4.350 -0.001 0.000 0.256 548 T C 1.353 176.106 174.700 0.087 0.000 1.131 548 T CA 0.497 62.602 62.100 0.009 0.000 1.074 548 T CB -0.447 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 0.247 120.562 120.200 0.192 0.000 2.465 549 E HA 0.229 4.578 4.350 -0.001 0.000 0.191 549 E C -0.925 175.484 176.600 -0.320 0.000 1.053 549 E CA -0.108 56.214 56.400 -0.129 0.000 0.869 549 E CB 0.129 29.646 29.700 -0.306 0.000 0.977 549 E HN 0.557 nan 8.360 nan 0.000 0.483 550 F N 0.231 120.392 119.950 0.352 0.000 2.551 550 F HA 0.270 4.797 4.527 -0.001 0.000 0.316 550 F C 0.091 176.140 175.800 0.414 0.000 1.089 550 F CA -1.529 56.683 58.000 0.353 0.000 0.915 550 F CB 1.357 40.570 39.000 0.354 0.000 1.186 550 F HN -0.276 nan 8.300 nan 0.000 0.456 551 D N 1.310 121.978 120.400 0.447 0.000 2.256 551 D HA 0.328 4.967 4.640 -0.001 0.000 0.250 551 D C -1.247 175.200 176.300 0.245 0.000 1.093 551 D CA 0.039 54.255 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 4.903 4.527 -0.001 0.000 0.359 552 F C 0.322 175.774 175.800 -0.580 0.000 1.122 552 F CA -0.666 57.122 58.000 -0.354 0.000 1.120 552 F CB 0.790 39.541 39.000 -0.415 0.000 1.142 552 F HN 0.191 nan 8.300 nan 0.000 0.483 553 N N 4.714 123.117 118.700 -0.496 0.000 2.399 553 N HA 0.388 5.127 4.740 -0.001 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 40.228 38.487 -0.069 0.000 1.273 553 N HN 0.189 nan 8.380 nan 0.000 0.486 554 F N 0.049 120.111 119.950 0.185 0.000 2.572 554 F HA 0.342 4.868 4.527 -0.001 0.000 0.342 554 F C 0.921 176.805 175.800 0.141 0.000 1.064 554 F CA -1.099 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 -1.112 119.473 120.400 0.308 0.000 2.388 555 D HA 0.181 4.821 4.640 -0.001 0.000 0.254 555 D C 0.876 177.208 176.300 0.054 0.000 1.111 555 D CA -0.611 53.406 54.000 0.028 0.000 0.993 555 D CB 0.509 41.265 40.800 -0.073 0.000 1.118 555 D HN 0.637 nan 8.370 nan 0.000 0.502 556 Q N -0.856 118.934 119.800 -0.017 0.000 2.156 556 Q HA -0.322 4.017 4.340 -0.001 0.000 0.211 556 Q C 1.563 177.573 176.000 0.015 0.000 0.995 556 Q CA 1.817 57.623 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 -0.511 119.293 119.800 0.008 0.000 1.896 557 Q HA -0.079 4.260 4.340 -0.001 0.000 0.205 557 Q C 2.250 178.253 176.000 0.005 0.000 0.978 557 Q CA 1.875 57.680 55.803 0.004 0.000 0.850 557 Q CB -1.007 27.732 28.738 0.002 0.000 0.908 557 Q HN 0.371 nan 8.270 nan 0.000 0.431 558 T N 1.665 116.231 114.554 0.021 0.000 2.755 558 T HA -0.226 4.124 4.350 -0.001 0.000 0.266 558 T C 1.965 176.597 174.700 -0.114 0.000 1.041 558 T CA 1.736 63.814 62.100 -0.037 0.000 1.147 558 T CB -0.373 68.525 68.868 0.050 0.000 0.847 558 T HN 0.341 nan 8.240 nan 0.000 0.478 559 S N 0.297 116.020 115.700 0.039 0.000 2.365 559 S HA -0.215 4.254 4.470 -0.001 0.000 0.221 559 S C 2.170 176.758 174.600 -0.019 0.000 1.037 559 S CA 1.437 59.685 58.200 0.080 0.000 1.060 559 S CB -0.340 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 1.345 121.138 119.800 -0.012 0.000 2.002 560 Q HA -0.133 4.206 4.340 -0.001 0.000 0.204 560 Q C 2.227 178.191 176.000 -0.059 0.000 0.988 560 Q CA 1.401 57.189 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 -0.001 0.000 0.191 561 N C 1.589 177.023 175.510 -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 -0.210 120.247 120.570 -0.188 0.000 2.927 562 I HA -0.080 4.090 4.170 -0.001 0.000 0.268 562 I C 2.366 178.408 176.117 -0.125 0.000 1.153 562 I CA 0.130 61.295 61.300 -0.224 0.000 1.459 562 I CB -0.151 37.567 38.000 -0.470 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 4.136 4.320 -0.001 0.000 0.207 563 K C 1.750 178.331 176.600 -0.032 0.000 1.049 563 K CA 1.585 57.854 56.287 -0.031 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 0.923 119.599 118.700 -0.039 0.000 2.364 564 N HA -0.155 4.584 4.740 -0.001 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 0.294 120.065 119.800 -0.048 0.000 2.089 565 Q HA 0.134 4.474 4.340 -0.001 0.000 0.195 565 Q C 2.093 178.071 176.000 -0.037 0.000 0.963 565 Q CA 0.476 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 4.195 4.340 -0.001 0.000 0.220 566 L C 2.214 179.075 176.870 -0.015 0.000 1.133 566 L CA 0.572 55.397 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 0.186 122.997 122.820 -0.016 0.000 1.850 567 A HA -0.106 4.213 4.320 -0.001 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 -0.301 18.693 19.000 -0.010 0.000 0.860 567 A HN 0.366 nan 8.150 nan 0.000 0.448 568 E N -0.342 119.850 120.200 -0.013 0.000 2.461 568 E HA 0.109 4.458 4.350 -0.001 0.000 0.196 568 E C 0.160 176.753 176.600 -0.011 0.000 1.129 568 E CA 0.097 56.490 56.400 -0.012 0.000 0.902 568 E CB -0.130 29.562 29.700 -0.014 0.000 0.963 568 E HN 0.543 nan 8.360 nan 0.000 0.503 569 L N 0.064 121.280 121.223 -0.011 0.000 3.259 569 L HA 0.144 4.483 4.340 -0.001 0.000 0.292 569 L C -0.308 176.558 176.870 -0.006 0.000 1.219 569 L CA -0.464 54.370 54.840 -0.010 0.000 1.035 569 L CB 0.265 42.315 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 4.574 4.740 -0.001 0.000 0.298 570 N C -0.297 175.214 175.510 0.002 0.000 1.227 570 N CA 1.176 54.225 53.050 -0.000 0.000 0.732 570 N CB -0.261 38.226 38.487 0.001 0.000 0.964 570 N HN 0.483 nan 8.380 nan 0.000 0.549 571 A N 0.644 123.465 122.820 0.003 0.000 2.590 571 A HA 0.589 4.908 4.320 -0.001 0.000 0.294 571 A C 0.516 178.107 177.584 0.011 0.000 1.046 571 A CA 0.088 52.130 52.037 0.007 0.000 0.684 571 A CB 1.286 20.289 19.000 0.004 0.000 1.279 571 A HN 0.322 nan 8.150 nan 0.000 0.415 572 T N -0.281 114.285 114.554 0.019 0.000 2.959 572 T HA 0.159 4.508 4.350 -0.001 0.000 0.254 572 T C 0.249 174.973 174.700 0.040 0.000 1.003 572 T CA 0.652 62.768 62.100 0.027 0.000 0.950 572 T CB -0.355 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 1.911 120.638 118.700 0.046 0.000 2.469 573 N HA 0.233 4.973 4.740 -0.001 0.000 0.253 573 N C 0.828 176.361 175.510 0.039 0.000 0.970 573 N CA -0.169 52.932 53.050 0.085 0.000 0.940 573 N CB 1.178 39.729 38.487 0.108 0.000 1.128 573 N HN 0.350 nan 8.380 nan 0.000 0.503 574 I N 4.132 124.675 120.570 -0.045 0.000 2.394 574 I HA -0.208 3.961 4.170 -0.001 0.000 0.251 574 I C 0.815 176.781 176.117 -0.251 0.000 1.136 574 I CA 1.062 62.243 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 0.534 nan 8.210 nan 0.000 0.425 575 Y N 0.973 121.164 120.300 -0.183 0.000 2.384 575 Y HA -0.239 4.310 4.550 -0.001 0.000 0.289 575 Y C 2.513 178.371 175.900 -0.069 0.000 1.152 575 Y CA 1.641 59.655 58.100 -0.144 0.000 1.258 575 Y CB -0.874 37.538 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 4.260 4.350 -0.001 0.000 0.244 576 T C 1.793 176.501 174.700 0.013 0.000 1.040 576 T CA 1.407 63.538 62.100 0.051 0.000 1.176 576 T CB -0.774 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 1.337 121.245 119.914 -0.010 0.000 3.593 577 V HA 0.160 4.279 4.120 -0.001 0.000 0.275 577 V C 1.954 178.021 176.094 -0.044 0.000 1.237 577 V CA 0.344 62.631 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 0.186 nan 8.190 nan 0.000 0.467 578 L N 2.919 124.108 121.223 -0.056 0.000 1.978 578 L HA -0.223 4.116 4.340 -0.001 0.000 0.218 578 L C 2.300 179.145 176.870 -0.041 0.000 1.075 578 L CA 2.659 57.451 54.840 -0.080 0.000 0.767 578 L CB -0.821 41.196 42.059 -0.070 0.000 0.890 578 L HN 0.763 nan 8.230 nan 0.000 0.434 579 D N -0.913 119.476 120.400 -0.018 0.000 2.403 579 D HA -0.142 4.498 4.640 -0.001 0.000 0.260 579 D C 0.564 176.856 176.300 -0.013 0.000 1.243 579 D CA 0.442 54.436 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 0.274 120.660 120.400 -0.023 0.000 2.665 580 K HA 0.197 4.516 4.320 -0.001 0.000 0.194 580 K C -0.424 176.155 176.600 -0.034 0.000 1.135 580 K CA -0.478 55.795 56.287 -0.023 0.000 1.089 580 K CB 1.227 33.717 32.500 -0.018 0.000 0.817 580 K HN 0.039 nan 8.250 nan 0.000 0.506 581 I N 2.549 123.094 120.570 -0.041 0.000 2.312 581 I HA 0.210 4.379 4.170 -0.001 0.000 0.290 581 I C -0.009 176.079 176.117 -0.049 0.000 1.008 581 I CA -0.825 60.441 61.300 -0.055 0.000 1.226 581 I CB 0.947 38.908 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 0.395 4.714 4.320 -0.001 0.000 0.289 582 K C -0.325 176.243 176.600 -0.053 0.000 1.070 582 K CA -0.358 55.902 56.287 -0.045 0.000 0.928 582 K CB 1.042 33.519 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 4.571 4.340 -0.001 0.000 0.287 583 L C 0.417 177.267 176.870 -0.033 0.000 1.072 583 L CA -0.245 54.570 54.840 -0.041 0.000 0.819 583 L CB 0.320 42.362 42.059 -0.029 0.000 1.176 583 L HN 0.483 nan 8.230 nan 0.000 0.435 584 N N 1.779 120.458 118.700 -0.034 0.000 2.456 584 N HA 0.552 5.291 4.740 -0.001 0.000 0.296 584 N C -0.145 175.357 175.510 -0.014 0.000 1.102 584 N CA -0.791 52.245 53.050 -0.024 0.000 0.924 584 N CB 1.700 40.170 38.487 -0.027 0.000 1.186 584 N HN 0.675 nan 8.380 nan 0.000 0.492 585 A N 1.331 124.145 122.820 -0.010 0.000 2.583 585 A HA -0.013 4.306 4.320 -0.001 0.000 0.231 585 A C 0.649 178.236 177.584 0.004 0.000 1.065 585 A CA 0.538 52.572 52.037 -0.005 0.000 0.760 585 A CB -0.112 18.885 19.000 -0.005 0.000 1.001 585 A HN 0.989 nan 8.150 nan 0.000 0.509 586 K N -1.328 119.080 120.400 0.014 0.000 3.500 586 K HA -0.188 4.132 4.320 -0.001 0.000 0.313 586 K C 0.185 176.815 176.600 0.050 0.000 1.338 586 K CA 1.351 57.657 56.287 0.032 0.000 0.963 586 K CB -1.759 30.754 32.500 0.022 0.000 1.267 586 K HN 0.785 nan 8.250 nan 0.000 0.448 587 M N 1.676 121.301 119.600 0.041 0.000 2.217 587 M HA 0.132 4.611 4.480 -0.001 0.000 0.354 587 M C -0.583 175.786 176.300 0.114 0.000 1.225 587 M CA 0.452 55.786 55.300 0.057 0.000 1.137 587 M CB 0.538 33.147 32.600 0.015 0.000 1.576 587 M HN 0.115 nan 8.290 nan 0.000 0.461 588 N N 5.586 124.402 118.700 0.194 0.000 2.314 588 N HA 0.613 5.352 4.740 -0.001 0.000 0.294 588 N C -1.595 174.128 175.510 0.355 0.000 1.029 588 N CA -0.682 52.538 53.050 0.285 0.000 0.845 588 N CB 2.026 40.799 38.487 0.477 0.000 1.321 588 N HN 0.529 nan 8.380 nan 0.000 0.481 589 I N 1.933 122.640 120.570 0.229 0.000 2.619 589 I HA 0.290 4.459 4.170 -0.001 0.000 0.292 589 I C -1.348 174.729 176.117 -0.066 0.000 1.100 589 I CA -0.849 60.574 61.300 0.206 0.000 1.043 589 I CB 2.380 40.511 38.000 0.218 0.000 1.239 589 I HN 0.273 nan 8.210 nan 0.000 0.420 590 L N 7.678 128.803 121.223 -0.165 0.000 2.337 590 L HA 0.514 4.853 4.340 -0.001 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 0.684 42.604 42.059 -0.232 0.000 1.236 590 L HN 0.318 nan 8.230 nan 0.000 0.436 591 I N 5.858 126.208 120.570 -0.366 0.000 2.291 591 I HA 0.365 4.534 4.170 -0.001 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 0.469 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 4.803 4.340 -0.001 0.000 0.282 592 R C -0.458 176.134 176.300 0.488 0.000 0.969 592 R CA -0.884 55.294 56.100 0.129 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 1.912 122.643 120.400 0.552 0.000 2.533 593 D HA -0.080 4.560 4.640 -0.001 0.000 0.236 593 D C 0.138 176.610 176.300 0.287 0.000 1.137 593 D CA 0.543 54.717 54.000 0.291 0.000 0.867 593 D CB 1.114 42.120 40.800 0.343 0.000 1.170 593 D HN 0.659 nan 8.370 nan 0.000 0.474 594 K N 3.572 123.998 120.400 0.044 0.000 2.432 594 K HA -0.027 4.292 4.320 -0.001 0.000 0.196 594 K C 1.854 178.447 176.600 -0.011 0.000 1.038 594 K CA 0.146 56.485 56.287 0.086 0.000 0.986 594 K CB 0.348 32.876 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 4.267 4.340 -0.001 0.000 0.228 595 R C 0.505 176.585 176.300 -0.367 0.000 1.140 595 R CA 1.167 57.044 56.100 -0.373 0.000 0.920 595 R CB -0.420 29.414 30.300 -0.777 0.000 0.828 595 R HN 0.004 nan 8.270 nan 0.000 0.430 596 F N 0.339 120.183 119.950 -0.177 0.000 2.403 596 F HA 0.174 4.701 4.527 -0.001 0.000 0.320 596 F C 1.182 176.767 175.800 -0.358 0.000 1.176 596 F CA -0.418 57.412 58.000 -0.284 0.000 1.206 596 F CB 0.034 38.828 39.000 -0.344 0.000 1.235 596 F HN 0.013 nan 8.300 nan 0.000 0.565 597 H N -0.998 117.948 119.070 -0.207 0.000 2.544 597 H HA 0.334 4.889 4.556 -0.001 0.000 0.365 597 H C -1.232 173.840 175.328 -0.427 0.000 1.268 597 H CA -0.556 55.356 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 0.364 120.770 120.300 0.177 0.000 2.545 598 Y HA 0.080 4.629 4.550 -0.001 0.000 0.348 598 Y C 0.195 176.139 175.900 0.074 0.000 1.002 598 Y CA -1.052 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 4.827 4.640 -0.001 0.000 0.288 599 D C 1.092 177.470 176.300 0.131 0.000 1.186 599 D CA -0.201 53.888 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 -1.081 119.475 120.500 0.094 0.000 2.173 600 R HA 0.092 4.431 4.340 -0.001 0.000 0.208 600 R C 0.574 176.914 176.300 0.066 0.000 1.035 600 R CA 0.440 56.587 56.100 0.080 0.000 1.004 600 R CB -0.071 30.261 30.300 0.053 0.000 0.917 600 R HN 0.304 nan 8.270 nan 0.000 0.462 601 N N 0.889 119.623 118.700 0.057 0.000 2.270 601 N HA 0.065 4.804 4.740 -0.001 0.000 0.198 601 N C -0.858 174.675 175.510 0.040 0.000 1.117 601 N CA 0.018 53.093 53.050 0.042 0.000 0.845 601 N CB 0.500 39.001 38.487 0.023 0.000 0.980 601 N HN 0.116 nan 8.380 nan 0.000 0.486 602 N N 0.517 119.245 118.700 0.046 0.000 2.726 602 N HA -0.161 4.578 4.740 -0.001 0.000 0.253 602 N C -1.092 174.408 175.510 -0.016 0.000 1.059 602 N CA 0.717 53.740 53.050 -0.045 0.000 0.701 602 N CB -1.320 37.100 38.487 -0.111 0.000 0.899 602 N HN 0.363 nan 8.380 nan 0.000 0.548 603 I N -0.708 119.951 120.570 0.148 0.000 2.797 603 I HA 0.536 4.705 4.170 -0.001 0.000 0.307 603 I C 0.893 177.165 176.117 0.258 0.000 1.033 603 I CA -1.262 60.121 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 4.016 126.895 122.820 0.098 0.000 2.535 604 A HA 0.306 4.625 4.320 -0.001 0.000 0.290 604 A C 0.832 178.362 177.584 -0.089 0.000 1.270 604 A CA -0.110 51.870 52.037 -0.095 0.000 0.937 604 A CB -0.588 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 2.950 122.828 119.914 -0.061 0.000 2.365 605 V HA 0.423 4.542 4.120 -0.001 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 -1.033 30.809 31.823 0.033 0.000 0.685 605 V HN 1.114 nan 8.190 nan 0.000 0.480 606 G N -1.330 107.448 108.800 -0.036 0.000 2.717 606 G HA2 0.646 4.605 3.960 -0.001 0.000 0.300 606 G HA3 0.646 4.605 3.960 -0.001 0.000 0.300 606 G C -0.716 174.055 174.900 -0.216 0.000 1.424 606 G CA 0.110 45.177 45.100 -0.055 0.000 1.033 606 G HN 0.530 nan 8.290 nan 0.000 0.577 607 A N 1.477 124.214 122.820 -0.138 0.000 2.599 607 A HA 0.755 5.074 4.320 -0.001 0.000 0.257 607 A C 0.130 177.439 177.584 -0.458 0.000 1.641 607 A CA -0.410 51.425 52.037 -0.336 0.000 0.842 607 A CB 0.309 19.128 19.000 -0.301 0.000 1.599 607 A HN 0.568 nan 8.150 nan 0.000 0.585 608 D N -0.524 119.695 120.400 -0.301 0.000 2.253 608 D HA 0.227 4.867 4.640 -0.001 0.000 0.249 608 D C 0.848 177.079 176.300 -0.115 0.000 1.049 608 D CA -0.176 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 0.603 120.757 120.200 -0.078 0.000 2.136 609 E HA -0.206 4.144 4.350 -0.001 0.000 0.202 609 E C 1.708 178.284 176.600 -0.039 0.000 1.019 609 E CA 1.346 57.715 56.400 -0.051 0.000 0.819 609 E CB 0.046 29.722 29.700 -0.040 0.000 0.739 609 E HN 0.287 nan 8.360 nan 0.000 0.458 610 S N 0.695 116.370 115.700 -0.042 0.000 2.444 610 S HA -0.208 4.261 4.470 -0.001 0.000 0.225 610 S C 2.257 176.838 174.600 -0.033 0.000 1.042 610 S CA 1.590 59.769 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 3.901 4.120 -0.001 0.000 0.251 611 V C 2.311 178.401 176.094 -0.006 0.000 1.065 611 V CA 1.832 64.086 62.300 -0.078 0.000 1.049 611 V CB -1.154 30.556 31.823 -0.188 0.000 0.651 611 V HN 0.326 nan 8.190 nan 0.000 0.450 612 V N -0.180 119.738 119.914 0.007 0.000 2.220 612 V HA -0.336 3.783 4.120 -0.001 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 0.096 0.000 1.003 612 V CB -0.815 31.027 31.823 0.031 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 -0.317 4.003 4.320 -0.001 0.000 0.214 613 K C 2.173 178.864 176.600 0.150 0.000 1.051 613 K CA 2.120 58.444 56.287 0.060 0.000 0.931 613 K CB -0.366 32.146 32.500 0.021 0.000 0.715 613 K HN 0.447 nan 8.250 nan 0.000 0.446 614 E N 1.072 121.331 120.200 0.098 0.000 2.068 614 E HA -0.260 4.090 4.350 -0.001 0.000 0.207 614 E C 1.794 178.462 176.600 0.113 0.000 1.032 614 E CA 2.057 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 -0.646 122.259 122.820 0.141 0.000 2.084 615 A HA -0.220 4.099 4.320 -0.001 0.000 0.221 615 A C 1.546 179.117 177.584 -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 18.167 19.000 0.033 0.000 0.802 615 A HN 0.495 nan 8.150 nan 0.000 0.457 616 H N -2.041 117.064 119.070 0.058 0.000 2.648 616 H HA 0.185 4.741 4.556 -0.001 0.000 0.265 616 H C 1.728 177.097 175.328 0.068 0.000 0.961 616 H CA 0.456 56.542 56.048 0.062 0.000 1.185 616 H CB -0.048 29.756 29.762 0.070 0.000 1.449 616 H HN 0.517 nan 8.280 nan 0.000 0.523 617 R N 1.385 121.983 120.500 0.164 0.000 2.185 617 R HA -0.130 4.210 4.340 -0.001 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 0.003 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 0.368 120.616 120.200 0.078 0.000 2.283 618 E HA 0.230 4.579 4.350 -0.001 0.000 0.278 618 E C -1.116 175.533 176.600 0.082 0.000 1.027 618 E CA -0.436 56.000 56.400 0.062 0.000 0.843 618 E CB 2.091 31.810 29.700 0.033 0.000 1.062 618 E HN -0.056 nan 8.360 nan 0.000 0.401 619 V N 4.064 124.030 119.914 0.085 0.000 2.876 619 V HA 0.237 4.356 4.120 -0.001 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 1.415 122.019 120.570 0.056 0.000 4.197 620 I HA 0.304 4.473 4.170 -0.001 0.000 0.307 620 I C 0.406 176.549 176.117 0.044 0.000 1.236 620 I CA 0.749 62.073 61.300 0.040 0.000 1.321 620 I CB 0.415 38.430 38.000 0.025 0.000 1.309 620 I HN 0.715 nan 8.210 nan 0.000 0.450 621 N N 0.988 119.720 118.700 0.053 0.000 2.648 621 N HA 0.128 4.868 4.740 -0.001 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 0.059 0.000 0.973 621 N CB 1.884 40.399 38.487 0.047 0.000 1.565 621 N HN -0.225 nan 8.380 nan 0.000 0.542 622 S N 1.271 117.030 115.700 0.098 0.000 2.480 622 S HA 0.636 5.105 4.470 -0.001 0.000 0.286 622 S C -0.345 174.329 174.600 0.124 0.000 1.180 622 S CA -0.411 57.864 58.200 0.126 0.000 1.075 622 S CB 1.375 64.700 63.200 0.207 0.000 0.996 622 S HN 0.580 nan 8.310 nan 0.000 0.487 623 S N 0.755 116.551 115.700 0.161 0.000 2.607 623 S HA 0.462 4.931 4.470 -0.001 0.000 0.273 623 S C 0.851 175.592 174.600 0.234 0.000 1.148 623 S CA -0.361 57.937 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 -0.105 114.548 114.554 0.165 0.000 3.160 624 T HA 0.212 4.561 4.350 -0.001 0.000 0.257 624 T C 0.817 175.678 174.700 0.270 0.000 1.147 624 T CA 0.840 63.028 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 0.717 121.095 120.200 0.297 0.000 2.152 625 E HA 0.449 4.798 4.350 -0.001 0.000 0.195 625 E C 0.964 177.625 176.600 0.101 0.000 0.934 625 E CA 0.090 56.636 56.400 0.243 0.000 0.869 625 E CB 0.503 30.305 29.700 0.171 0.000 0.842 625 E HN 0.550 nan 8.360 nan 0.000 0.472 626 G N 0.633 109.407 108.800 -0.044 0.000 2.596 626 G HA2 0.392 4.351 3.960 -0.001 0.000 0.296 626 G HA3 0.392 4.351 3.960 -0.001 0.000 0.296 626 G C -1.401 173.289 174.900 -0.350 0.000 1.513 626 G CA -0.913 43.746 45.100 -0.735 0.000 0.851 626 G HN -0.039 nan 8.290 nan 0.000 0.548 627 L N 0.762 121.656 121.223 -0.549 0.000 2.397 627 L HA 0.545 4.884 4.340 -0.001 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 -0.496 0.000 1.117 627 L HN 0.415 nan 8.230 nan 0.000 0.456 628 L N 4.101 125.329 121.223 0.008 0.000 2.316 628 L HA 0.568 4.907 4.340 -0.001 0.000 0.280 628 L C -0.928 175.955 176.870 0.022 0.000 1.006 628 L CA -0.051 54.852 54.840 0.105 0.000 0.836 628 L CB 1.145 43.286 42.059 0.137 0.000 1.221 628 L HN 0.331 nan 8.230 nan 0.000 0.418 629 L N 3.729 124.953 121.223 0.001 0.000 2.256 629 L HA 0.576 4.915 4.340 -0.001 0.000 0.261 629 L C 0.218 177.084 176.870 -0.006 0.000 1.022 629 L CA -0.422 54.412 54.840 -0.010 0.000 0.828 629 L CB 1.564 43.598 42.059 -0.043 0.000 1.374 629 L HN 0.569 nan 8.230 nan 0.000 0.436 630 N N 0.115 118.807 118.700 -0.014 0.000 2.610 630 N HA 0.388 5.127 4.740 -0.001 0.000 0.309 630 N C -0.649 174.838 175.510 -0.039 0.000 1.536 630 N CA -0.169 52.872 53.050 -0.014 0.000 0.954 630 N CB -0.151 38.334 38.487 -0.003 0.000 1.310 630 N HN 0.467 nan 8.380 nan 0.000 0.502 631 I N 0.012 120.535 120.570 -0.079 0.000 2.880 631 I HA -0.118 4.051 4.170 -0.001 0.000 0.296 631 I C 0.773 176.845 176.117 -0.076 0.000 1.220 631 I CA 0.178 61.386 61.300 -0.153 0.000 1.435 631 I CB 0.228 38.083 38.000 -0.242 0.000 1.339 631 I HN 0.334 nan 8.210 nan 0.000 0.583 632 D N 5.495 125.856 120.400 -0.065 0.000 2.425 632 D HA -0.003 4.636 4.640 -0.001 0.000 0.247 632 D C 0.979 177.292 176.300 0.021 0.000 1.147 632 D CA -0.130 53.868 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 3.031 123.450 120.400 0.031 0.000 1.991 633 K HA -0.156 4.163 4.320 -0.001 0.000 0.212 633 K C 1.365 177.995 176.600 0.049 0.000 1.049 633 K CA 1.476 57.782 56.287 0.033 0.000 0.932 633 K CB -0.531 31.986 32.500 0.028 0.000 0.717 633 K HN 0.533 nan 8.250 nan 0.000 0.441 634 D N 0.693 121.145 120.400 0.085 0.000 2.203 634 D HA -0.155 4.484 4.640 -0.001 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 0.554 121.262 120.570 0.229 0.000 2.260 635 I HA -0.088 4.081 4.170 -0.001 0.000 0.237 635 I C 2.428 178.636 176.117 0.151 0.000 1.075 635 I CA 0.739 62.200 61.300 0.268 0.000 1.376 635 I CB -1.190 36.919 38.000 0.181 0.000 1.107 635 I HN 0.095 nan 8.210 nan 0.000 0.420 636 R N 1.945 122.500 120.500 0.092 0.000 2.198 636 R HA -0.273 4.066 4.340 -0.001 0.000 0.258 636 R C 1.944 178.265 176.300 0.035 0.000 1.173 636 R CA 2.247 58.389 56.100 0.070 0.000 0.991 636 R CB -0.833 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 1.634 122.040 120.400 0.010 0.000 2.442 637 K HA -0.035 4.285 4.320 -0.001 0.000 0.198 637 K C 1.604 178.172 176.600 -0.053 0.000 1.042 637 K CA 1.159 57.424 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 -1.248 119.311 120.570 -0.017 0.000 3.914 638 I HA 0.239 4.408 4.170 -0.001 0.000 0.333 638 I C -0.837 175.280 176.117 -0.001 0.000 1.449 638 I CA -0.675 60.615 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 1.117 122.334 121.223 -0.010 0.000 2.313 639 L HA 0.363 4.702 4.340 -0.001 0.000 0.283 639 L C 1.299 178.111 176.870 -0.096 0.000 1.013 639 L CA 0.169 54.977 54.840 -0.054 0.000 0.816 639 L CB 1.551 43.571 42.059 -0.066 0.000 1.236 639 L HN 0.165 nan 8.230 nan 0.000 0.419 640 S N 2.249 117.893 115.700 -0.092 0.000 2.362 640 S HA 0.278 4.748 4.470 -0.001 0.000 0.221 640 S C 0.681 175.235 174.600 -0.077 0.000 1.032 640 S CA 0.877 59.049 58.200 -0.046 0.000 0.973 640 S CB 0.384 63.572 63.200 -0.020 0.000 0.849 640 S HN 0.914 nan 8.310 nan 0.000 0.465 641 G N -1.231 107.453 108.800 -0.194 0.000 2.489 641 G HA2 0.519 4.478 3.960 -0.001 0.000 0.305 641 G HA3 0.519 4.478 3.960 -0.001 0.000 0.305 641 G C -2.249 172.406 174.900 -0.408 0.000 1.311 641 G CA -0.711 44.213 45.100 -0.293 0.000 0.813 641 G HN 0.187 nan 8.290 nan 0.000 0.480 642 Y N -0.687 119.668 120.300 0.091 0.000 2.462 642 Y HA 0.665 5.214 4.550 -0.001 0.000 0.346 642 Y C 0.228 176.186 175.900 0.097 0.000 0.976 642 Y CA -1.031 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 4.490 4.170 -0.001 0.000 0.289 643 I C -0.782 175.396 176.117 0.102 0.000 1.021 643 I CA -0.864 60.553 61.300 0.196 0.000 1.224 643 I CB 0.851 39.009 38.000 0.263 0.000 1.376 643 I HN 0.238 nan 8.210 nan 0.000 0.470 644 V N 6.999 126.977 119.914 0.106 0.000 2.432 644 V HA 0.283 4.402 4.120 -0.001 0.000 0.271 644 V C 0.267 176.354 176.094 -0.011 0.000 1.046 644 V CA -0.212 62.126 62.300 0.063 0.000 0.945 644 V CB 0.767 32.718 31.823 0.215 0.000 0.992 644 V HN 0.907 nan 8.190 nan 0.000 0.471 645 E N 5.368 125.506 120.200 -0.104 0.000 2.442 645 E HA 0.811 5.160 4.350 -0.001 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 -0.045 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 4.386 4.170 -0.001 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 6.277 126.418 120.200 -0.099 0.000 2.146 647 E HA 0.127 4.476 4.350 -0.001 0.000 0.282 647 E C -0.769 175.676 176.600 -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 30.920 29.700 -0.046 0.000 1.088 647 E HN 0.515 nan 8.360 nan 0.000 0.397 648 D N 2.675 122.858 120.400 -0.361 0.000 2.368 648 D HA -0.067 4.572 4.640 -0.001 0.000 0.240 648 D C 1.032 177.194 176.300 -0.230 0.000 1.169 648 D CA 0.320 53.990 54.000 -0.549 0.000 0.906 648 D CB 1.401 41.957 40.800 -0.408 0.000 1.187 648 D HN 0.636 nan 8.370 nan 0.000 0.435 649 T N -0.179 114.308 114.554 -0.113 0.000 2.996 649 T HA -0.191 4.158 4.350 -0.001 0.000 0.271 649 T C 1.358 176.054 174.700 -0.006 0.000 1.126 649 T CA 1.416 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 1.336 121.510 120.200 -0.042 0.000 2.110 650 E HA 0.299 4.648 4.350 -0.001 0.000 0.193 650 E C 1.325 177.905 176.600 -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 0.558 nan 8.360 nan 0.000 0.465 651 G N 1.263 110.031 108.800 -0.054 0.000 3.198 651 G HA2 0.081 4.040 3.960 -0.001 0.000 0.228 651 G HA3 0.081 4.040 3.960 -0.001 0.000 0.228 651 G C -0.591 174.281 174.900 -0.046 0.000 1.499 651 G CA -0.556 44.520 45.100 -0.040 0.000 1.104 651 G HN 0.061 nan 8.290 nan 0.000 0.563 652 L N 0.388 121.564 121.223 -0.079 0.000 2.379 652 L HA 0.580 4.919 4.340 -0.001 0.000 0.269 652 L C 0.339 177.176 176.870 -0.054 0.000 1.084 652 L CA -0.811 53.985 54.840 -0.074 0.000 0.802 652 L CB 1.323 43.313 42.059 -0.114 0.000 1.175 652 L HN -0.127 nan 8.230 nan 0.000 0.448 653 K N 2.453 122.838 120.400 -0.025 0.000 3.082 653 K HA 0.259 4.578 4.320 -0.001 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 0.480 32.999 32.500 0.032 0.000 1.312 653 K HN 0.539 nan 8.250 nan 0.000 0.526 654 E N 1.049 121.238 120.200 -0.018 0.000 2.257 654 E HA 0.148 4.498 4.350 -0.001 0.000 0.278 654 E C -0.316 176.288 176.600 0.006 0.000 1.049 654 E CA -0.198 56.198 56.400 -0.008 0.000 0.876 654 E CB 1.203 30.890 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 4.272 4.120 -0.001 0.000 0.299 655 V C 1.013 177.121 176.094 0.023 0.000 1.035 655 V CA -0.682 61.634 62.300 0.027 0.000 0.889 655 V CB 1.357 33.209 31.823 0.048 0.000 0.988 655 V HN 0.615 nan 8.190 nan 0.000 0.440 656 I N 2.914 123.501 120.570 0.028 0.000 2.623 656 I HA -0.027 4.143 4.170 -0.001 0.000 0.214 656 I C 1.334 177.461 176.117 0.016 0.000 1.055 656 I CA 0.796 62.122 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 0.839 nan 8.210 nan 0.000 0.405 657 N N 2.851 121.557 118.700 0.010 0.000 2.410 657 N HA -0.111 4.629 4.740 -0.001 0.000 0.281 657 N C -0.126 175.319 175.510 -0.109 0.000 1.241 657 N CA 0.260 53.231 53.050 -0.132 0.000 0.998 657 N CB 0.275 38.624 38.487 -0.230 0.000 1.376 657 N HN 0.395 nan 8.380 nan 0.000 0.490 658 D N 1.437 121.781 120.400 -0.093 0.000 2.339 658 D HA 0.044 4.683 4.640 -0.001 0.000 0.217 658 D C -0.144 176.110 176.300 -0.076 0.000 1.050 658 D CA -0.005 53.964 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 0.154 120.553 120.500 -0.168 0.000 2.368 659 R HA 0.152 4.492 4.340 -0.001 0.000 0.302 659 R C 0.770 176.934 176.300 -0.227 0.000 1.002 659 R CA -0.601 55.367 56.100 -0.221 0.000 0.929 659 R CB 0.669 30.770 30.300 -0.332 0.000 1.073 659 R HN 0.198 nan 8.270 nan 0.000 0.464 660 Y N 1.356 121.619 120.300 -0.062 0.000 2.219 660 Y HA -0.267 4.282 4.550 -0.001 0.000 0.283 660 Y C 0.877 176.734 175.900 -0.071 0.000 1.191 660 Y CA 1.833 59.918 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 -0.495 119.559 120.400 -0.576 0.000 2.328 661 D HA 0.023 4.662 4.640 -0.001 0.000 0.226 661 D C 0.830 176.919 176.300 -0.351 0.000 1.066 661 D CA 0.409 54.153 54.000 -0.428 0.000 0.861 661 D CB -0.529 39.940 40.800 -0.552 0.000 0.912 661 D HN 0.514 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 4.763 4.480 -0.001 0.000 0.334 662 M C 0.631 176.718 176.300 -0.355 0.000 1.211 662 M CA -0.089 54.730 55.300 -0.803 0.000 0.962 662 M CB 0.579 32.510 32.600 -1.115 0.000 1.343 662 M HN 0.045 nan 8.290 nan 0.000 0.511 663 L N -0.443 120.726 121.223 -0.091 0.000 2.446 663 L HA 0.069 4.409 4.340 -0.001 0.000 0.219 663 L C 1.376 178.312 176.870 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 1.999 120.785 118.700 0.142 0.000 2.454 664 N HA -0.011 4.728 4.740 -0.001 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 39.041 38.487 0.097 0.000 1.423 664 N HN 0.459 nan 8.380 nan 0.000 0.495 665 I N -0.383 120.242 120.570 0.091 0.000 3.990 665 I HA 0.170 4.340 4.170 -0.001 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 3.069 118.805 115.700 0.061 0.000 2.737 666 S HA 0.191 4.661 4.470 -0.001 0.000 0.315 666 S C 0.220 174.834 174.600 0.023 0.000 1.236 666 S CA -0.339 57.912 58.200 0.085 0.000 1.093 666 S CB -0.086 63.238 63.200 0.206 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 5.294 4.470 -0.001 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 0.660 63.929 63.200 0.114 0.000 1.233 667 S HN 0.960 nan 8.310 nan 0.000 0.512 668 L N 1.416 122.694 121.223 0.091 0.000 2.849 668 L HA 0.369 4.709 4.340 -0.001 0.000 0.256 668 L C -1.055 175.842 176.870 0.045 0.000 0.951 668 L CA -0.072 54.808 54.840 0.068 0.000 1.003 668 L CB 0.930 43.013 42.059 0.040 0.000 1.408 668 L HN 0.522 nan 8.230 nan 0.000 0.463 669 R N 2.071 122.593 120.500 0.037 0.000 2.641 669 R HA 0.247 4.587 4.340 -0.001 0.000 0.269 669 R C 0.651 176.945 176.300 -0.009 0.000 1.074 669 R CA 0.068 56.164 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 4.223 4.340 -0.001 0.000 0.215 670 Q C 0.099 176.088 176.000 -0.019 0.000 0.977 670 Q CA 1.612 57.404 55.803 -0.019 0.000 0.934 670 Q CB -0.141 28.582 28.738 -0.025 0.000 0.988 670 Q HN 0.694 nan 8.270 nan 0.000 0.521 671 D N -1.337 119.051 120.400 -0.020 0.000 2.339 671 D HA 0.169 4.809 4.640 -0.001 0.000 0.217 671 D C 1.103 177.396 176.300 -0.011 0.000 1.050 671 D CA 0.431 54.419 54.000 -0.019 0.000 0.856 671 D CB 0.024 40.808 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 -0.001 0.000 0.231 672 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.231 672 G C -0.094 174.809 174.900 0.004 0.000 0.984 672 G CA -0.087 45.013 45.100 0.000 0.000 0.660 672 G HN 0.419 nan 8.290 nan 0.000 0.525 673 K N 1.069 121.474 120.400 0.008 0.000 2.274 673 K HA 0.505 4.824 4.320 -0.001 0.000 0.262 673 K C -0.188 176.439 176.600 0.045 0.000 0.961 673 K CA -0.524 55.773 56.287 0.017 0.000 0.833 673 K CB 1.516 34.022 32.500 0.011 0.000 1.102 673 K HN 0.072 nan 8.250 nan 0.000 0.436 674 T N 3.284 117.864 114.554 0.043 0.000 2.769 674 T HA 0.062 4.411 4.350 -0.001 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 5.890 125.808 119.950 -0.054 0.000 2.361 675 F HA 0.537 5.063 4.527 -0.001 0.000 0.364 675 F C -0.372 175.356 175.800 -0.121 0.000 1.120 675 F CA -1.874 56.069 58.000 -0.095 0.000 1.102 675 F CB 0.047 38.996 39.000 -0.085 0.000 1.183 675 F HN 0.424 nan 8.300 nan 0.000 0.476 676 I N 4.340 124.484 120.570 -0.710 0.000 2.713 676 I HA 0.285 4.454 4.170 -0.001 0.000 0.300 676 I C -0.811 174.522 176.117 -1.306 0.000 1.009 676 I CA -0.500 60.328 61.300 -0.786 0.000 1.305 676 I CB 1.492 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 2.229 122.044 120.400 -0.975 0.000 2.970 677 D HA 0.339 4.978 4.640 -0.001 0.000 0.230 677 D C -0.199 175.753 176.300 -0.581 0.000 1.276 677 D CA -0.426 53.051 54.000 -0.871 0.000 0.910 677 D CB 1.104 41.555 40.800 -0.582 0.000 1.590 677 D HN 0.246 nan 8.370 nan 0.000 0.551 678 F N 1.999 121.869 119.950 -0.133 0.000 2.473 678 F HA 0.213 4.739 4.527 -0.001 0.000 0.294 678 F C 2.149 177.940 175.800 -0.015 0.000 1.103 678 F CA 0.162 58.135 58.000 -0.044 0.000 1.442 678 F CB -0.225 38.756 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 -0.213 4.107 4.320 -0.001 0.000 0.206 679 K C 1.950 178.534 176.600 -0.027 0.000 1.048 679 K CA 1.220 57.540 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 4.163 4.320 -0.001 0.000 0.201 680 K C -0.191 176.115 176.600 -0.490 0.000 1.046 680 K CA 1.143 57.228 56.287 -0.336 0.000 0.940 680 K CB 0.149 32.371 32.500 -0.463 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 4.793 4.550 -0.001 0.000 0.316 681 Y C -0.860 175.061 175.900 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 4.808 4.740 -0.001 0.000 0.203 682 N C -1.159 174.389 175.510 0.064 0.000 1.339 682 N CA 0.060 53.173 53.050 0.106 0.000 1.208 682 N CB 0.095 38.653 38.487 0.118 0.000 1.579 682 N HN 0.254 nan 8.380 nan 0.000 0.583 683 D N 1.827 122.257 120.400 0.051 0.000 2.751 683 D HA -0.230 4.409 4.640 -0.001 0.000 0.233 683 D C -0.262 176.051 176.300 0.021 0.000 1.149 683 D CA 1.295 55.312 54.000 0.028 0.000 0.682 683 D CB -0.454 40.355 40.800 0.015 0.000 1.068 683 D HN 0.768 nan 8.370 nan 0.000 0.429 684 K N -2.215 118.196 120.400 0.017 0.000 3.274 684 K HA -0.236 4.084 4.320 -0.001 0.000 0.305 684 K C 0.432 177.048 176.600 0.026 0.000 1.225 684 K CA 0.938 57.231 56.287 0.010 0.000 0.904 684 K CB -0.978 31.523 32.500 0.001 0.000 1.227 684 K HN 0.447 nan 8.250 nan 0.000 0.453 685 L N 1.090 122.336 121.223 0.039 0.000 2.325 685 L HA 0.437 4.776 4.340 -0.001 0.000 0.278 685 L C -1.650 175.266 176.870 0.077 0.000 1.023 685 L CA -2.452 52.417 54.840 0.048 0.000 0.811 685 L CB 1.013 43.093 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 -0.175 177.197 177.300 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 4.283 4.340 -0.001 0.000 0.287 687 L C 0.678 177.629 176.870 0.135 0.000 1.252 687 L CA 0.376 55.254 54.840 0.064 0.000 0.835 687 L CB -0.492 41.530 42.059 -0.062 0.000 1.099 687 L HN 0.425 nan 8.230 nan 0.000 0.516 688 Y N 2.948 123.241 120.300 -0.011 0.000 2.447 688 Y HA 0.473 5.022 4.550 -0.001 0.000 0.325 688 Y C -0.408 175.488 175.900 -0.006 0.000 0.976 688 Y CA -1.019 57.081 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 2.361 689 I HA 0.142 4.311 4.170 -0.001 0.000 0.282 689 I C 1.131 176.912 176.117 -0.561 0.000 1.075 689 I CA -0.204 60.852 61.300 -0.407 0.000 1.205 689 I CB 1.144 39.006 38.000 -0.230 0.000 1.406 689 I HN 0.653 nan 8.210 nan 0.000 0.481 690 S N 4.158 119.383 115.700 -0.793 0.000 2.423 690 S HA -0.051 4.418 4.470 -0.001 0.000 0.231 690 S C 0.897 175.240 174.600 -0.428 0.000 1.014 690 S CA 1.113 58.972 58.200 -0.569 0.000 0.965 690 S CB -0.005 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 0.267 5.007 4.740 -0.001 0.000 0.279 691 N C -3.119 171.977 175.510 -0.690 0.000 1.124 691 N CA -1.585 51.063 53.050 -0.669 0.000 0.833 691 N CB 1.983 40.019 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 -0.739 176.560 177.300 -0.002 0.000 1.675 692 P CA 0.212 63.220 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 -1.874 116.776 118.700 -0.084 0.000 2.081 693 N HA 0.121 4.860 4.740 -0.001 0.000 0.230 693 N C 0.304 175.946 175.510 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 0.047 0.000 1.189 693 N HN 0.242 nan 8.380 nan 0.000 0.503 694 Y N 1.217 121.527 120.300 0.016 0.000 2.557 694 Y HA 0.325 4.874 4.550 -0.001 0.000 0.436 694 Y C 0.385 176.268 175.900 -0.029 0.000 1.403 694 Y CA -0.609 57.481 58.100 -0.016 0.000 1.960 694 Y CB 0.598 39.030 38.460 -0.046 0.000 1.785 694 Y HN -0.380 nan 8.280 nan 0.000 0.640 695 K N 0.754 121.239 120.400 0.141 0.000 2.705 695 K HA 0.257 4.576 4.320 -0.001 0.000 0.238 695 K C -1.702 174.891 176.600 -0.012 0.000 0.996 695 K CA -0.367 55.934 56.287 0.024 0.000 1.007 695 K CB 1.790 34.289 32.500 -0.002 0.000 1.206 695 K HN 0.211 nan 8.250 nan 0.000 0.488 696 V N 3.622 123.523 119.914 -0.022 0.000 2.382 696 V HA -0.037 4.082 4.120 -0.001 0.000 0.250 696 V C 0.131 176.198 176.094 -0.045 0.000 1.069 696 V CA -0.052 62.212 62.300 -0.061 0.000 1.130 696 V CB -0.761 31.008 31.823 -0.089 0.000 1.165 696 V HN 0.601 nan 8.190 nan 0.000 0.483 697 N N 4.201 122.817 118.700 -0.140 0.000 2.415 697 N HA 0.239 4.979 4.740 -0.001 0.000 0.246 697 N C -0.536 174.672 175.510 -0.503 0.000 1.078 697 N CA -0.107 52.767 53.050 -0.293 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 4.589 124.331 119.914 -0.286 0.000 2.311 698 V HA 0.283 4.402 4.120 -0.001 0.000 0.275 698 V C -0.410 175.585 176.094 -0.165 0.000 1.022 698 V CA -0.663 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 2.489 122.864 120.300 0.126 0.000 2.408 699 Y HA 0.792 5.341 4.550 -0.001 0.000 0.324 699 Y C 0.597 176.655 175.900 0.263 0.000 1.302 699 Y CA -1.175 56.999 58.100 0.124 0.000 1.384 699 Y CB 0.983 39.497 38.460 0.090 0.000 1.367 699 Y HN 0.622 nan 8.280 nan 0.000 0.525 700 A N 0.164 123.230 122.820 0.409 0.000 2.386 700 A HA 0.779 5.098 4.320 -0.001 0.000 0.311 700 A C -1.748 175.929 177.584 0.156 0.000 1.068 700 A CA -0.702 51.573 52.037 0.396 0.000 0.743 700 A CB 1.097 20.303 19.000 0.345 0.000 1.258 700 A HN 0.459 nan 8.150 nan 0.000 0.429 701 V N 2.576 122.518 119.914 0.047 0.000 2.376 701 V HA 0.425 4.544 4.120 -0.001 0.000 0.287 701 V C 0.607 176.686 176.094 -0.025 0.000 1.015 701 V CA -0.253 62.056 62.300 0.015 0.000 0.834 701 V CB 1.257 33.097 31.823 0.028 0.000 1.001 701 V HN 1.107 nan 8.190 nan 0.000 0.428 702 T N 1.530 116.073 114.554 -0.018 0.000 2.900 702 T HA 0.204 4.554 4.350 -0.001 0.000 0.307 702 T C 1.142 175.819 174.700 -0.038 0.000 1.065 702 T CA -0.276 61.809 62.100 -0.027 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 1.109 121.484 120.400 -0.043 0.000 2.020 703 K HA -0.217 4.102 4.320 -0.001 0.000 0.212 703 K C 2.484 179.052 176.600 -0.052 0.000 1.050 703 K CA 2.159 58.412 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 0.754 120.937 120.200 -0.029 0.000 2.187 704 E HA -0.257 4.092 4.350 -0.001 0.000 0.199 704 E C 1.488 178.076 176.600 -0.019 0.000 1.004 704 E CA 1.483 57.877 56.400 -0.010 0.000 0.813 704 E CB -0.205 29.510 29.700 0.025 0.000 0.736 704 E HN 0.291 nan 8.360 nan 0.000 0.468 705 N N 0.503 119.187 118.700 -0.027 0.000 2.349 705 N HA -0.053 4.687 4.740 -0.001 0.000 0.180 705 N C 0.750 176.236 175.510 -0.041 0.000 1.024 705 N CA 0.975 54.008 53.050 -0.028 0.000 0.869 705 N CB -0.454 38.020 38.487 -0.022 0.000 1.022 705 N HN 0.148 nan 8.380 nan 0.000 0.433 706 T N 2.229 116.754 114.554 -0.048 0.000 2.902 706 T HA 0.043 4.392 4.350 -0.001 0.000 0.317 706 T C 0.487 175.126 174.700 -0.102 0.000 1.064 706 T CA 0.114 62.180 62.100 -0.056 0.000 1.130 706 T CB -0.139 68.677 68.868 -0.086 0.000 1.073 706 T HN 0.166 nan 8.240 nan 0.000 0.524 707 I N 2.535 123.059 120.570 -0.076 0.000 2.707 707 I HA 0.558 4.728 4.170 -0.001 0.000 0.309 707 I C 0.478 176.480 176.117 -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 -0.534 119.845 120.570 -0.319 0.000 4.526 708 I HA 0.474 4.644 4.170 -0.001 0.000 0.330 708 I C -0.333 175.398 176.117 -0.643 0.000 1.323 708 I CA -0.148 60.978 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 0.603 nan 8.210 nan 0.000 0.430 709 N N 0.580 118.813 118.700 -0.778 0.000 2.329 709 N HA 0.624 5.364 4.740 -0.001 0.000 0.282 709 N C -2.809 172.354 175.510 -0.578 0.000 1.198 709 N CA -1.260 51.365 53.050 -0.708 0.000 0.790 709 N CB 1.620 39.897 38.487 -0.350 0.000 1.579 709 N HN -0.201 nan 8.380 nan 0.000 0.475 710 P HA 0.112 nan 4.420 nan 0.000 0.270 710 P C -0.395 176.860 177.300 -0.075 0.000 1.221 710 P CA 0.045 63.123 63.100 -0.037 0.000 0.788 710 P CB 0.481 32.228 31.700 0.079 0.000 0.904 711 S N 0.724 116.406 115.700 -0.030 0.000 2.641 711 S HA 0.015 4.484 4.470 -0.001 0.000 0.261 711 S C 1.408 175.992 174.600 -0.027 0.000 1.257 711 S CA -0.578 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 1.330 121.514 120.200 -0.026 0.000 2.279 712 E HA -0.232 4.117 4.350 -0.001 0.000 0.205 712 E C 1.070 177.664 176.600 -0.011 0.000 1.028 712 E CA 1.837 58.225 56.400 -0.020 0.000 0.830 712 E CB -0.583 29.107 29.700 -0.017 0.000 0.736 712 E HN 0.675 nan 8.360 nan 0.000 0.478 713 N N -0.873 117.824 118.700 -0.005 0.000 1.746 713 N HA 0.156 4.896 4.740 -0.001 0.000 0.227 713 N C 1.169 176.684 175.510 0.009 0.000 1.154 713 N CA 0.605 53.656 53.050 0.002 0.000 1.033 713 N CB -0.513 37.977 38.487 0.004 0.000 1.387 713 N HN -0.010 nan 8.380 nan 0.000 0.443 714 G N -1.546 107.264 108.800 0.016 0.000 5.021 714 G HA2 0.143 4.102 3.960 -0.001 0.000 0.254 714 G HA3 0.143 4.102 3.960 -0.001 0.000 0.254 714 G C -1.183 173.740 174.900 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 4.764 4.640 -0.001 0.000 0.253 715 D C 1.697 178.054 176.300 0.095 0.000 1.294 715 D CA 0.376 54.404 54.000 0.046 0.000 1.063 715 D CB 1.042 41.861 40.800 0.031 0.000 1.096 715 D HN 0.312 nan 8.370 nan 0.000 0.516 716 T N -1.780 112.828 114.554 0.090 0.000 3.272 716 T HA 0.081 4.430 4.350 -0.001 0.000 0.250 716 T C 0.840 175.578 174.700 0.064 0.000 1.082 716 T CA -0.611 61.562 62.100 0.122 0.000 0.968 716 T CB -0.161 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 0.842 116.582 115.700 0.068 0.000 2.707 717 S HA 0.411 4.880 4.470 -0.001 0.000 0.276 717 S C 1.033 175.674 174.600 0.067 0.000 1.179 717 S CA -0.157 58.067 58.200 0.040 0.000 0.992 717 S CB 1.140 64.355 63.200 0.026 0.000 1.030 717 S HN 0.410 nan 8.310 nan 0.000 0.554 718 T N -1.797 112.787 114.554 0.049 0.000 3.278 718 T HA 0.161 4.511 4.350 -0.001 0.000 0.251 718 T C 1.019 175.746 174.700 0.045 0.000 1.039 718 T CA -0.065 62.072 62.100 0.061 0.000 0.935 718 T CB -0.780 68.128 68.868 0.067 0.000 1.034 718 T HN 0.603 nan 8.240 nan 0.000 0.575 719 N N 2.784 121.504 118.700 0.034 0.000 2.004 719 N HA -0.023 4.716 4.740 -0.001 0.000 0.196 719 N C 1.370 176.886 175.510 0.009 0.000 1.064 719 N CA 1.691 54.752 53.050 0.019 0.000 0.855 719 N CB -0.847 37.649 38.487 0.015 0.000 1.056 719 N HN 0.502 nan 8.380 nan 0.000 0.423 720 G N 0.345 109.149 108.800 0.008 0.000 2.916 720 G HA2 0.451 4.410 3.960 -0.001 0.000 0.280 720 G HA3 0.451 4.410 3.960 -0.001 0.000 0.280 720 G C -0.570 174.328 174.900 -0.004 0.000 0.758 720 G CA -0.163 44.935 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 4.575 4.170 -0.001 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 4.352 124.734 120.400 -0.031 0.000 2.602 722 K HA 0.238 4.558 4.320 -0.001 0.000 0.201 722 K C -0.410 176.159 176.600 -0.052 0.000 1.070 722 K CA -0.621 55.638 56.287 -0.047 0.000 1.026 722 K CB 0.375 32.854 32.500 -0.034 0.000 1.534 722 K HN 0.454 nan 8.250 nan 0.000 0.560 723 K N 2.255 122.606 120.400 -0.081 0.000 2.117 723 K HA 0.348 4.667 4.320 -0.001 0.000 0.240 723 K C -0.297 176.238 176.600 -0.109 0.000 1.031 723 K CA -0.371 55.879 56.287 -0.062 0.000 0.909 723 K CB 0.855 33.334 32.500 -0.035 0.000 1.097 723 K HN 0.286 nan 8.250 nan 0.000 0.492 724 I N 0.991 121.546 120.570 -0.026 0.000 2.533 724 I HA 0.222 4.391 4.170 -0.001 0.000 0.290 724 I C -0.261 175.916 176.117 0.099 0.000 1.056 724 I CA -1.187 60.100 61.300 -0.022 0.000 1.057 724 I CB 2.147 40.138 38.000 -0.015 0.000 1.240 724 I HN 0.506 nan 8.210 nan 0.000 0.423 725 L N 6.113 127.396 121.223 0.100 0.000 2.562 725 L HA 0.085 4.424 4.340 -0.001 0.000 0.271 725 L C 0.120 177.066 176.870 0.128 0.000 1.167 725 L CA 0.579 55.581 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 5.488 126.136 120.570 0.131 0.000 4.244 726 I HA 0.281 4.450 4.170 -0.001 0.000 0.318 726 I C -0.148 176.071 176.117 0.171 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 -0.648 119.275 119.950 -0.045 0.000 2.629 727 F HA 0.670 5.196 4.527 -0.001 0.000 0.316 727 F C -0.072 175.694 175.800 -0.056 0.000 1.081 727 F CA -0.966 57.005 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 4.720 4.470 -0.001 0.000 0.136 728 S C -1.661 172.705 174.600 -0.391 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 -0.138 0.000 1.612 728 S HN 0.463 nan 8.310 nan 0.000 0.579 729 K N 1.816 121.942 120.400 -0.457 0.000 2.139 729 K HA 0.582 4.901 4.320 -0.001 0.000 0.243 729 K C 0.099 176.578 176.600 -0.202 0.000 0.983 729 K CA -0.846 55.225 56.287 -0.360 0.000 0.890 729 K CB 0.659 32.942 32.500 -0.361 0.000 1.090 729 K HN 0.300 nan 8.250 nan 0.000 0.445 730 K N 0.064 120.303 120.400 -0.268 0.000 2.102 730 K HA 0.186 4.506 4.320 -0.001 0.000 0.244 730 K C 1.529 178.011 176.600 -0.197 0.000 1.021 730 K CA -0.145 55.998 56.287 -0.240 0.000 0.913 730 K CB 0.479 32.693 32.500 -0.477 0.000 1.062 730 K HN 0.812 nan 8.250 nan 0.000 0.485 731 G N 0.577 109.352 108.800 -0.043 0.000 2.432 731 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.219 731 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.219 731 G C 1.192 176.105 174.900 0.022 0.000 1.135 731 G CA 1.065 46.156 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 4.974 4.550 -0.001 0.000 0.279 732 Y C 1.540 177.431 175.900 -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 0.770 120.701 120.200 -0.449 0.000 2.349 733 E HA 0.283 4.633 4.350 -0.001 0.000 0.201 733 E C 0.359 176.888 176.600 -0.118 0.000 1.087 733 E CA 0.073 56.275 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 -1.611 118.931 120.570 -0.046 0.000 3.357 734 I HA 0.326 4.495 4.170 -0.001 0.000 0.267 734 I C 0.870 177.008 176.117 0.036 0.000 1.061 734 I CA -0.211 61.105 61.300 0.026 0.000 1.727 734 I CB 1.133 39.159 38.000 0.043 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 3.959 3.960 -0.001 0.000 0.244 735 G HA3 0.000 3.959 3.960 -0.001 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