REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3kwv_1_E DATA FIRST_RESID 174 DATA SEQUENCE TVPDRDNDGI PDSLEVEGYT VDVKNKRTFL SPWISNIHEK KGLTKYKSSP DATA SEQUENCE EKWSTASDPY SDFEKVTGRI DKNVSPEARH PLVAAYPIVH VDMENIILSK DATA SEQUENCE NEXXXXXXXX XQTRTISKNT STSRTHTSEP GXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XSNSNSSTVA IDHSLSXXXX XTWAETMGLN TADTARLNAN IRYVNTGTAP DATA SEQUENCE IYNVLPTTSL VLGKNQTLAT IKAKENQLSQ ILAPNNYYPS KNLAPIALNA DATA SEQUENCE QDDFSSTPIT MNYNQFLELE KTKQLRLDTD QVYGNIATYN FENGRVRVDT DATA SEQUENCE GSNWSEVLPQ IQETTARIIF NGKDLNLVER RIAAVNPSDP LETTKPDMTL DATA SEQUENCE KEALKIAFGF NEPNGNLQYQ GKDITEFDFN FDQQTSQNIK NQLAELNATN DATA SEQUENCE IYTVLDKIKL NAKMNILIRD KRFHYDRNNI AVGADESVVK EAHREVINSS DATA SEQUENCE TEGLLLNIDK DIRKILSGYI VEIEDTEGLK EVINDRYDML NISSLRQDGK DATA SEQUENCE TFIDFKKYND KLPLYISNPN YKVNVYAVTK ENTIINPSEN GDTSTNGIKK DATA SEQUENCE ILIFSKKGYE IG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 174 T HA 0.000 nan 4.350 nan 0.000 0.228 174 T C 0.000 174.691 174.700 -0.016 0.000 1.109 174 T CA 0.000 62.090 62.100 -0.017 0.000 1.349 174 T CB 0.000 68.860 68.868 -0.013 0.000 0.612 175 V N 3.493 123.396 119.914 -0.020 0.000 2.394 175 V HA 0.558 4.678 4.120 -0.000 0.000 0.282 175 V C -2.336 173.746 176.094 -0.021 0.000 1.031 175 V CA -1.865 60.425 62.300 -0.017 0.000 0.881 175 V CB 0.882 32.695 31.823 -0.018 0.000 0.982 175 V HN 0.198 nan 8.190 nan 0.000 0.451 176 P HA 0.127 nan 4.420 nan 0.000 0.258 176 P C -0.617 176.672 177.300 -0.019 0.000 1.187 176 P CA 0.354 63.446 63.100 -0.013 0.000 0.767 176 P CB 0.165 31.861 31.700 -0.005 0.000 0.770 177 D N 2.479 122.865 120.400 -0.023 0.000 2.613 177 D HA 0.127 4.767 4.640 -0.000 0.000 0.312 177 D C 1.046 177.340 176.300 -0.011 0.000 1.202 177 D CA -0.432 53.552 54.000 -0.027 0.000 0.825 177 D CB 0.197 40.968 40.800 -0.049 0.000 1.113 177 D HN 0.013 nan 8.370 nan 0.000 0.502 178 R N 0.297 120.797 120.500 0.000 0.000 2.103 178 R HA -0.146 4.194 4.340 -0.000 0.000 0.242 178 R C 0.903 177.219 176.300 0.026 0.000 1.142 178 R CA 1.927 58.033 56.100 0.009 0.000 0.960 178 R CB -0.067 30.241 30.300 0.013 0.000 0.858 178 R HN 0.381 nan 8.270 nan 0.000 0.439 179 D N -1.194 119.234 120.400 0.047 0.000 2.349 179 D HA -0.037 4.603 4.640 -0.000 0.000 0.215 179 D C -0.168 176.225 176.300 0.155 0.000 1.016 179 D CA 0.104 54.166 54.000 0.104 0.000 0.870 179 D CB -0.392 40.484 40.800 0.127 0.000 0.917 179 D HN 0.217 nan 8.370 nan 0.000 0.524 180 N N 0.060 118.808 118.700 0.081 0.000 2.753 180 N HA -0.226 4.514 4.740 -0.000 0.000 0.251 180 N C -0.134 175.456 175.510 0.132 0.000 1.097 180 N CA 0.952 54.042 53.050 0.067 0.000 0.786 180 N CB -1.113 37.401 38.487 0.045 0.000 1.137 180 N HN 0.457 nan 8.380 nan 0.000 0.566 181 D N -0.802 119.662 120.400 0.106 0.000 2.269 181 D HA 0.077 4.717 4.640 -0.000 0.000 0.208 181 D C 1.634 177.834 176.300 -0.167 0.000 0.963 181 D CA 1.503 55.483 54.000 -0.034 0.000 0.864 181 D CB -0.364 40.323 40.800 -0.188 0.000 0.936 181 D HN 0.538 nan 8.370 nan 0.000 0.505 182 G N -0.321 108.359 108.800 -0.201 0.000 2.229 182 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.189 182 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.189 182 G C 0.000 174.780 174.900 -0.200 0.000 1.000 182 G CA -0.061 44.806 45.100 -0.387 0.000 0.663 182 G HN 0.351 nan 8.290 nan 0.000 0.493 183 I N 2.433 122.939 120.570 -0.108 0.000 2.354 183 I HA 0.321 4.491 4.170 -0.000 0.000 0.286 183 I C -2.226 173.818 176.117 -0.121 0.000 1.007 183 I CA -2.347 58.875 61.300 -0.130 0.000 1.167 183 I CB 1.847 39.685 38.000 -0.270 0.000 1.320 183 I HN -0.181 nan 8.210 nan 0.000 0.458 184 P HA -0.061 nan 4.420 nan 0.000 0.266 184 P C 0.022 177.295 177.300 -0.045 0.000 1.180 184 P CA 0.260 63.326 63.100 -0.057 0.000 0.765 184 P CB 0.655 32.332 31.700 -0.038 0.000 0.806 185 D N 1.073 121.461 120.400 -0.020 0.000 2.106 185 D HA -0.183 4.456 4.640 -0.000 0.000 0.191 185 D C 1.943 178.254 176.300 0.018 0.000 0.997 185 D CA 2.246 56.246 54.000 0.000 0.000 0.834 185 D CB -0.893 39.911 40.800 0.007 0.000 0.956 185 D HN 0.434 nan 8.370 nan 0.000 0.448 186 S N 0.383 116.096 115.700 0.021 0.000 2.392 186 S HA -0.187 4.282 4.470 -0.000 0.000 0.232 186 S C 2.165 176.805 174.600 0.068 0.000 1.041 186 S CA 0.891 59.115 58.200 0.041 0.000 1.026 186 S CB -0.744 62.478 63.200 0.037 0.000 0.845 186 S HN 0.279 nan 8.310 nan 0.000 0.465 187 L N 1.152 122.407 121.223 0.054 0.000 2.072 187 L HA -0.009 4.331 4.340 -0.000 0.000 0.205 187 L C 3.003 180.012 176.870 0.232 0.000 1.079 187 L CA 1.454 56.360 54.840 0.111 0.000 0.752 187 L CB -0.696 41.359 42.059 -0.006 0.000 0.906 187 L HN 0.412 nan 8.230 nan 0.000 0.436 188 E N 0.131 120.394 120.200 0.105 0.000 2.118 188 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 188 E C 2.130 178.852 176.600 0.204 0.000 0.992 188 E CA 1.825 58.354 56.400 0.216 0.000 0.804 188 E CB -0.082 29.667 29.700 0.081 0.000 0.741 188 E HN 0.512 nan 8.360 nan 0.000 0.458 189 V N -0.980 119.009 119.914 0.125 0.000 2.379 189 V HA -0.107 4.013 4.120 -0.000 0.000 0.243 189 V C 1.789 177.932 176.094 0.083 0.000 1.035 189 V CA 1.356 63.709 62.300 0.088 0.000 1.035 189 V CB -0.524 31.335 31.823 0.060 0.000 0.673 189 V HN 0.038 nan 8.190 nan 0.000 0.457 190 E N 1.266 121.527 120.200 0.101 0.000 2.170 190 E HA 0.416 4.766 4.350 -0.000 0.000 0.191 190 E C 1.079 177.733 176.600 0.091 0.000 0.981 190 E CA 0.725 57.178 56.400 0.088 0.000 0.830 190 E CB 0.164 29.922 29.700 0.096 0.000 0.775 190 E HN 0.828 nan 8.360 nan 0.000 0.470 191 G N 0.469 109.357 108.800 0.146 0.000 2.801 191 G HA2 0.079 4.039 3.960 -0.000 0.000 0.648 191 G HA3 0.079 4.039 3.960 -0.000 0.000 0.648 191 G C -1.232 173.814 174.900 0.243 0.000 1.415 191 G CA -0.604 44.549 45.100 0.089 0.000 0.887 191 G HN 0.170 nan 8.290 nan 0.000 0.627 192 Y N -1.490 118.883 120.300 0.122 0.000 2.677 192 Y HA 0.910 5.460 4.550 -0.000 0.000 0.334 192 Y C -0.147 175.882 175.900 0.216 0.000 1.154 192 Y CA -0.810 57.385 58.100 0.159 0.000 1.070 192 Y CB 1.663 40.196 38.460 0.122 0.000 1.294 192 Y HN 1.012 nan 8.280 nan 0.000 0.475 193 T N 0.362 115.121 114.554 0.342 0.000 2.821 193 T HA 0.627 4.976 4.350 -0.000 0.000 0.306 193 T C -2.184 172.710 174.700 0.323 0.000 1.313 193 T CA -0.600 61.676 62.100 0.294 0.000 1.012 193 T CB 1.560 70.535 68.868 0.178 0.000 1.298 193 T HN 0.717 nan 8.240 nan 0.000 0.502 194 V N 3.445 123.546 119.914 0.312 0.000 2.384 194 V HA 0.620 4.740 4.120 -0.000 0.000 0.287 194 V C -0.598 175.609 176.094 0.188 0.000 1.020 194 V CA -0.567 61.865 62.300 0.221 0.000 0.850 194 V CB 1.534 33.439 31.823 0.137 0.000 0.987 194 V HN 0.908 nan 8.190 nan 0.000 0.436 195 D N 3.146 123.666 120.400 0.199 0.000 2.575 195 D HA 0.583 5.223 4.640 -0.000 0.000 0.236 195 D C -1.161 175.233 176.300 0.157 0.000 1.075 195 D CA -0.315 53.780 54.000 0.158 0.000 0.860 195 D CB 2.560 43.446 40.800 0.144 0.000 1.475 195 D HN 0.253 nan 8.370 nan 0.000 0.474 196 V N 3.608 123.580 119.914 0.097 0.000 2.334 196 V HA 0.391 4.511 4.120 -0.000 0.000 0.281 196 V C -0.059 176.063 176.094 0.046 0.000 1.016 196 V CA -0.679 61.677 62.300 0.093 0.000 0.832 196 V CB 1.153 33.016 31.823 0.066 0.000 0.999 196 V HN 0.444 nan 8.190 nan 0.000 0.439 197 K N 4.265 124.694 120.400 0.047 0.000 2.358 197 K HA 0.427 4.747 4.320 -0.000 0.000 0.260 197 K C 0.421 177.036 176.600 0.025 0.000 0.956 197 K CA -0.478 55.794 56.287 -0.023 0.000 0.834 197 K CB 0.609 33.007 32.500 -0.170 0.000 1.102 197 K HN 0.743 nan 8.250 nan 0.000 0.431 198 N N 4.356 123.063 118.700 0.012 0.000 2.740 198 N HA -0.167 4.573 4.740 -0.000 0.000 0.248 198 N C -1.015 174.522 175.510 0.046 0.000 1.062 198 N CA 0.522 53.587 53.050 0.026 0.000 0.704 198 N CB -0.293 38.212 38.487 0.030 0.000 0.968 198 N HN 0.730 nan 8.380 nan 0.000 0.547 199 K N -1.996 118.431 120.400 0.044 0.000 3.129 199 K HA -0.197 4.123 4.320 -0.000 0.000 0.273 199 K C -0.269 176.372 176.600 0.068 0.000 1.123 199 K CA 1.213 57.529 56.287 0.049 0.000 0.800 199 K CB -1.381 31.142 32.500 0.038 0.000 1.238 199 K HN 0.603 nan 8.250 nan 0.000 0.492 200 R N -0.119 120.441 120.500 0.100 0.000 2.628 200 R HA 0.323 4.663 4.340 -0.000 0.000 0.288 200 R C -0.316 176.093 176.300 0.181 0.000 0.980 200 R CA -0.664 55.515 56.100 0.133 0.000 0.891 200 R CB 1.600 31.998 30.300 0.163 0.000 1.188 200 R HN -0.097 nan 8.270 nan 0.000 0.450 201 T N 2.516 117.148 114.554 0.130 0.000 2.901 201 T HA 0.244 4.594 4.350 -0.000 0.000 0.301 201 T C -0.773 174.026 174.700 0.164 0.000 1.012 201 T CA 0.520 62.695 62.100 0.125 0.000 1.135 201 T CB 0.222 69.115 68.868 0.042 0.000 0.936 201 T HN 0.257 nan 8.240 nan 0.000 0.539 202 F N 2.791 122.766 119.950 0.041 0.000 2.612 202 F HA 0.471 4.998 4.527 -0.000 0.000 0.332 202 F C -0.630 175.213 175.800 0.072 0.000 1.167 202 F CA -0.903 57.133 58.000 0.059 0.000 0.970 202 F CB 1.255 40.292 39.000 0.062 0.000 1.234 202 F HN 0.358 nan 8.300 nan 0.000 0.453 203 L N 5.826 127.119 121.223 0.116 0.000 2.280 203 L HA 0.735 5.075 4.340 -0.000 0.000 0.287 203 L C -0.733 176.241 176.870 0.173 0.000 1.023 203 L CA 0.057 54.987 54.840 0.150 0.000 0.819 203 L CB 0.636 42.737 42.059 0.071 0.000 1.212 203 L HN 0.662 nan 8.230 nan 0.000 0.420 204 S N 3.731 119.576 115.700 0.243 0.000 2.618 204 S HA 0.718 5.188 4.470 -0.000 0.000 0.277 204 S C -2.956 171.767 174.600 0.205 0.000 1.138 204 S CA -1.537 56.799 58.200 0.227 0.000 0.844 204 S CB 1.721 65.108 63.200 0.312 0.000 1.127 204 S HN 0.314 nan 8.310 nan 0.000 0.474 205 P HA 0.003 nan 4.420 nan 0.000 0.267 205 P C -0.519 176.858 177.300 0.129 0.000 1.201 205 P CA -0.195 63.017 63.100 0.188 0.000 0.775 205 P CB 0.327 32.121 31.700 0.156 0.000 0.854 206 W N 4.464 125.738 121.300 -0.043 0.000 2.238 206 W HA 0.364 5.024 4.660 -0.000 0.000 0.321 206 W C -1.089 175.447 176.519 0.028 0.000 1.293 206 W CA -0.030 57.214 57.345 -0.167 0.000 1.204 206 W CB 0.307 29.691 29.460 -0.128 0.000 1.167 206 W HN 0.234 nan 8.180 nan 0.000 0.553 207 I N 6.687 126.951 120.570 -0.511 0.000 2.649 207 I HA -0.069 4.101 4.170 -0.000 0.000 0.275 207 I C 1.373 177.237 176.117 -0.420 0.000 1.153 207 I CA -0.256 60.926 61.300 -0.196 0.000 1.069 207 I CB 1.330 39.334 38.000 0.007 0.000 1.227 207 I HN 0.517 nan 8.210 nan 0.000 0.505 208 S N 4.524 120.029 115.700 -0.326 0.000 2.429 208 S HA -0.374 4.096 4.470 -0.000 0.000 0.263 208 S C 1.646 176.177 174.600 -0.115 0.000 1.084 208 S CA 2.630 60.820 58.200 -0.017 0.000 1.284 208 S CB -1.103 62.254 63.200 0.260 0.000 1.192 208 S HN 0.861 nan 8.310 nan 0.000 0.436 209 N N 2.434 121.088 118.700 -0.077 0.000 2.132 209 N HA -0.146 4.594 4.740 -0.000 0.000 0.191 209 N C 1.651 177.057 175.510 -0.174 0.000 1.015 209 N CA 2.063 55.058 53.050 -0.090 0.000 0.864 209 N CB -0.735 37.711 38.487 -0.068 0.000 1.006 209 N HN 0.646 nan 8.380 nan 0.000 0.430 210 I N -0.881 119.506 120.570 -0.305 0.000 2.296 210 I HA -0.106 4.063 4.170 -0.000 0.000 0.242 210 I C 1.688 177.489 176.117 -0.526 0.000 1.087 210 I CA 1.057 62.082 61.300 -0.459 0.000 1.393 210 I CB -0.318 37.269 38.000 -0.689 0.000 1.093 210 I HN 0.183 nan 8.210 nan 0.000 0.421 211 H N 0.416 119.200 119.070 -0.478 0.000 2.415 211 H HA -0.001 4.555 4.556 -0.000 0.000 0.297 211 H C 1.992 177.146 175.328 -0.290 0.000 1.048 211 H CA 0.711 56.447 56.048 -0.521 0.000 1.365 211 H CB -0.014 29.115 29.762 -1.056 0.000 1.421 211 H HN 0.245 nan 8.280 nan 0.000 0.533 212 E N 1.324 121.465 120.200 -0.098 0.000 2.097 212 E HA -0.196 4.153 4.350 -0.000 0.000 0.196 212 E C 1.800 178.427 176.600 0.046 0.000 1.000 212 E CA 0.987 57.460 56.400 0.121 0.000 0.804 212 E CB 0.087 29.885 29.700 0.162 0.000 0.740 212 E HN 0.286 nan 8.360 nan 0.000 0.454 213 K N 1.120 121.505 120.400 -0.025 0.000 2.059 213 K HA -0.187 4.133 4.320 -0.000 0.000 0.212 213 K C 1.835 178.423 176.600 -0.020 0.000 1.050 213 K CA 1.437 57.705 56.287 -0.031 0.000 0.927 213 K CB -0.285 32.172 32.500 -0.072 0.000 0.714 213 K HN 0.165 nan 8.250 nan 0.000 0.447 214 K N -0.406 119.973 120.400 -0.034 0.000 2.525 214 K HA 0.038 4.358 4.320 -0.000 0.000 0.192 214 K C 0.861 177.476 176.600 0.025 0.000 1.029 214 K CA 0.547 56.825 56.287 -0.016 0.000 1.029 214 K CB 0.086 32.565 32.500 -0.035 0.000 0.814 214 K HN 0.370 nan 8.250 nan 0.000 0.503 215 G N 1.955 110.785 108.800 0.051 0.000 2.198 215 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.257 215 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.257 215 G C 0.027 174.983 174.900 0.094 0.000 1.042 215 G CA -0.087 45.056 45.100 0.071 0.000 0.791 215 G HN 0.146 nan 8.290 nan 0.000 0.502 216 L N -0.390 120.918 121.223 0.141 0.000 2.475 216 L HA 0.564 4.904 4.340 -0.000 0.000 0.253 216 L C 0.959 177.940 176.870 0.184 0.000 1.198 216 L CA -0.329 54.611 54.840 0.167 0.000 0.814 216 L CB 0.735 42.915 42.059 0.202 0.000 1.134 216 L HN 0.133 nan 8.230 nan 0.000 0.478 217 T N 0.695 115.252 114.554 0.004 0.000 2.771 217 T HA 0.192 4.542 4.350 -0.000 0.000 0.281 217 T C -0.222 174.102 174.700 -0.627 0.000 0.982 217 T CA -0.591 61.303 62.100 -0.344 0.000 0.978 217 T CB 1.174 69.693 68.868 -0.582 0.000 0.930 217 T HN 0.356 nan 8.240 nan 0.000 0.447 218 K N 3.442 123.321 120.400 -0.868 0.000 2.312 218 K HA 0.237 4.557 4.320 -0.000 0.000 0.287 218 K C -1.231 174.853 176.600 -0.859 0.000 1.062 218 K CA -0.285 55.346 56.287 -1.093 0.000 0.934 218 K CB 0.283 31.763 32.500 -1.700 0.000 1.027 218 K HN 0.496 nan 8.250 nan 0.000 0.478 219 Y N 3.017 122.928 120.300 -0.648 0.000 2.360 219 Y HA 0.365 4.915 4.550 -0.000 0.000 0.337 219 Y C -0.019 175.420 175.900 -0.768 0.000 1.039 219 Y CA -0.592 57.013 58.100 -0.825 0.000 1.109 219 Y CB 1.694 39.423 38.460 -1.219 0.000 1.201 219 Y HN 0.373 nan 8.280 nan 0.000 0.458 220 K N 1.747 122.021 120.400 -0.210 0.000 2.375 220 K HA 0.819 5.139 4.320 -0.000 0.000 0.249 220 K C -1.075 175.575 176.600 0.084 0.000 0.942 220 K CA -0.811 55.462 56.287 -0.024 0.000 0.806 220 K CB 2.321 34.808 32.500 -0.021 0.000 1.227 220 K HN 0.773 nan 8.250 nan 0.000 0.430 221 S N -0.680 115.120 115.700 0.168 0.000 2.615 221 S HA 0.289 4.759 4.470 -0.000 0.000 0.269 221 S C -1.026 173.635 174.600 0.102 0.000 1.161 221 S CA -0.968 57.313 58.200 0.135 0.000 0.817 221 S CB 1.499 64.796 63.200 0.163 0.000 1.131 221 S HN 0.393 nan 8.310 nan 0.000 0.467 222 S N 1.283 117.026 115.700 0.072 0.000 2.474 222 S HA 0.445 4.915 4.470 -0.000 0.000 0.276 222 S C -1.949 172.680 174.600 0.049 0.000 1.227 222 S CA -1.477 56.757 58.200 0.057 0.000 1.050 222 S CB 0.331 63.563 63.200 0.052 0.000 0.939 222 S HN 0.502 nan 8.310 nan 0.000 0.490 223 P HA 0.085 nan 4.420 nan 0.000 0.237 223 P C 0.109 177.430 177.300 0.035 0.000 1.178 223 P CA 0.710 63.828 63.100 0.031 0.000 0.766 223 P CB 0.100 31.816 31.700 0.027 0.000 0.876 224 E N -0.698 119.528 120.200 0.043 0.000 2.603 224 E HA 0.149 4.499 4.350 -0.000 0.000 0.211 224 E C -0.023 176.618 176.600 0.068 0.000 0.995 224 E CA -0.021 56.407 56.400 0.047 0.000 0.990 224 E CB 0.380 30.101 29.700 0.035 0.000 1.036 224 E HN 0.284 nan 8.360 nan 0.000 0.475 225 K N 0.371 120.819 120.400 0.080 0.000 2.463 225 K HA 0.122 4.442 4.320 -0.000 0.000 0.255 225 K C -0.535 176.155 176.600 0.149 0.000 0.942 225 K CA -0.581 55.775 56.287 0.115 0.000 0.814 225 K CB 1.590 34.145 32.500 0.090 0.000 1.122 225 K HN 0.041 nan 8.250 nan 0.000 0.425 226 W N 3.159 124.466 121.300 0.011 0.000 2.374 226 W HA -0.084 4.576 4.660 -0.000 0.000 0.288 226 W C 0.488 177.031 176.519 0.040 0.000 1.218 226 W CA 1.052 58.406 57.345 0.015 0.000 1.245 226 W CB 0.518 29.978 29.460 -0.001 0.000 1.126 226 W HN 0.400 nan 8.180 nan 0.000 0.545 227 S N -0.274 115.522 115.700 0.161 0.000 2.652 227 S HA 0.237 4.707 4.470 -0.000 0.000 0.252 227 S C 0.665 175.311 174.600 0.075 0.000 1.219 227 S CA -0.146 58.059 58.200 0.009 0.000 1.151 227 S CB 0.722 63.994 63.200 0.120 0.000 1.080 227 S HN 0.048 nan 8.310 nan 0.000 0.481 228 T N 3.556 118.133 114.554 0.038 0.000 2.685 228 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 228 T C 1.884 176.628 174.700 0.074 0.000 1.034 228 T CA 1.875 64.011 62.100 0.060 0.000 1.149 228 T CB -0.312 68.590 68.868 0.055 0.000 0.860 228 T HN 0.797 nan 8.240 nan 0.000 0.449 229 A N 0.486 123.357 122.820 0.086 0.000 2.235 229 A HA 0.353 4.673 4.320 -0.000 0.000 0.208 229 A C 1.395 179.040 177.584 0.102 0.000 1.172 229 A CA 0.699 52.795 52.037 0.098 0.000 0.786 229 A CB -0.464 18.612 19.000 0.128 0.000 0.804 229 A HN 0.326 nan 8.150 nan 0.000 0.479 230 S N 0.040 115.805 115.700 0.109 0.000 3.635 230 S HA -0.170 4.300 4.470 -0.000 0.000 0.328 230 S C -0.010 174.671 174.600 0.135 0.000 1.135 230 S CA 1.059 59.328 58.200 0.114 0.000 0.942 230 S CB -1.746 61.498 63.200 0.073 0.000 0.930 230 S HN 1.032 nan 8.310 nan 0.000 0.512 231 D N -0.142 120.362 120.400 0.174 0.000 2.564 231 D HA 0.611 5.250 4.640 -0.000 0.000 0.273 231 D C -2.044 174.323 176.300 0.111 0.000 1.192 231 D CA -1.922 52.197 54.000 0.199 0.000 1.080 231 D CB 0.065 41.070 40.800 0.341 0.000 1.160 231 D HN 0.085 nan 8.370 nan 0.000 0.607 232 P HA 0.123 nan 4.420 nan 0.000 0.249 232 P C -0.867 176.287 177.300 -0.243 0.000 1.229 232 P CA 0.226 63.139 63.100 -0.313 0.000 0.788 232 P CB -0.234 30.980 31.700 -0.810 0.000 1.072 233 Y N -0.100 120.293 120.300 0.154 0.000 2.377 233 Y HA 0.413 4.963 4.550 0.000 0.000 0.339 233 Y C 1.288 176.944 175.900 -0.406 0.000 1.011 233 Y CA -1.213 56.877 58.100 -0.018 0.000 1.093 233 Y CB 1.039 39.505 38.460 0.009 0.000 1.201 233 Y HN -0.208 nan 8.280 nan 0.000 0.455 234 S N 0.416 115.683 115.700 -0.722 0.000 2.603 234 S HA 0.074 4.544 4.470 -0.000 0.000 0.268 234 S C 0.496 174.833 174.600 -0.439 0.000 1.317 234 S CA -0.601 56.918 58.200 -1.134 0.000 1.012 234 S CB 0.887 63.202 63.200 -1.475 0.000 0.926 234 S HN 0.680 nan 8.310 nan 0.000 0.539 235 D N 0.637 120.819 120.400 -0.363 0.000 2.123 235 D HA -0.116 4.524 4.640 -0.000 0.000 0.196 235 D C 1.339 177.546 176.300 -0.156 0.000 0.992 235 D CA 1.306 55.192 54.000 -0.189 0.000 0.833 235 D CB -0.430 40.303 40.800 -0.111 0.000 0.954 235 D HN 0.644 nan 8.370 nan 0.000 0.455 236 F N 1.704 121.495 119.950 -0.266 0.000 2.113 236 F HA -0.133 4.394 4.527 -0.000 0.000 0.297 236 F C 2.226 177.932 175.800 -0.157 0.000 1.103 236 F CA 1.429 59.316 58.000 -0.188 0.000 1.248 236 F CB -0.016 38.901 39.000 -0.138 0.000 0.999 236 F HN -0.129 nan 8.300 nan 0.000 0.475 237 E N 0.389 120.616 120.200 0.046 0.000 2.049 237 E HA -0.264 4.086 4.350 -0.000 0.000 0.198 237 E C 2.129 178.590 176.600 -0.232 0.000 1.007 237 E CA 1.814 58.168 56.400 -0.075 0.000 0.809 237 E CB -0.205 29.512 29.700 0.027 0.000 0.749 237 E HN 0.444 nan 8.360 nan 0.000 0.450 238 K N 0.422 120.699 120.400 -0.204 0.000 1.969 238 K HA -0.170 4.149 4.320 -0.000 0.000 0.216 238 K C 2.376 178.799 176.600 -0.296 0.000 1.048 238 K CA 1.880 58.030 56.287 -0.229 0.000 0.948 238 K CB -0.590 31.795 32.500 -0.192 0.000 0.726 238 K HN 0.151 nan 8.250 nan 0.000 0.442 239 V N -1.325 118.353 119.914 -0.394 0.000 2.828 239 V HA -0.174 3.946 4.120 -0.000 0.000 0.260 239 V C 1.759 177.649 176.094 -0.340 0.000 1.101 239 V CA 2.221 64.229 62.300 -0.488 0.000 1.123 239 V CB -0.571 30.851 31.823 -0.669 0.000 0.704 239 V HN 0.303 nan 8.190 nan 0.000 0.493 240 T N -0.875 113.434 114.554 -0.407 0.000 3.023 240 T HA 0.445 4.795 4.350 -0.000 0.000 0.253 240 T C 1.422 175.940 174.700 -0.303 0.000 1.038 240 T CA 1.059 62.909 62.100 -0.418 0.000 0.962 240 T CB -0.010 68.384 68.868 -0.790 0.000 1.018 240 T HN 1.191 nan 8.240 nan 0.000 0.521 241 G N 2.019 110.651 108.800 -0.279 0.000 2.199 241 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.254 241 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.254 241 G C 0.361 175.076 174.900 -0.308 0.000 0.982 241 G CA -0.123 44.842 45.100 -0.225 0.000 0.632 241 G HN 0.512 nan 8.290 nan 0.000 0.529 242 R N 0.365 120.584 120.500 -0.468 0.000 3.688 242 R HA 0.641 4.980 4.340 -0.000 0.000 0.194 242 R C 0.156 175.935 176.300 -0.868 0.000 1.677 242 R CA 0.440 55.980 56.100 -0.934 0.000 1.351 242 R CB -0.166 29.475 30.300 -1.099 0.000 1.338 242 R HN 0.540 nan 8.270 nan 0.000 0.731 243 I N -0.725 119.586 120.570 -0.432 0.000 3.021 243 I HA 0.075 4.245 4.170 -0.000 0.000 0.305 243 I C -1.268 174.847 176.117 -0.004 0.000 1.434 243 I CA -0.996 60.222 61.300 -0.137 0.000 0.969 243 I CB 2.298 40.184 38.000 -0.190 0.000 1.328 243 I HN 0.193 nan 8.210 nan 0.000 0.486 244 D N 4.553 124.998 120.400 0.074 0.000 2.502 244 D HA -0.033 4.607 4.640 -0.000 0.000 0.249 244 D C 0.731 177.045 176.300 0.023 0.000 1.188 244 D CA 0.421 54.482 54.000 0.102 0.000 0.890 244 D CB 0.973 41.894 40.800 0.200 0.000 1.140 244 D HN 0.302 nan 8.370 nan 0.000 0.505 245 K N 3.259 123.685 120.400 0.043 0.000 2.442 245 K HA -0.063 4.257 4.320 -0.000 0.000 0.198 245 K C 1.032 177.636 176.600 0.007 0.000 1.044 245 K CA 0.395 56.688 56.287 0.010 0.000 0.948 245 K CB -0.022 32.493 32.500 0.025 0.000 0.762 245 K HN 0.531 nan 8.250 nan 0.000 0.472 246 N N 0.790 119.513 118.700 0.039 0.000 2.467 246 N HA -0.047 4.693 4.740 -0.000 0.000 0.184 246 N C -0.014 175.489 175.510 -0.012 0.000 1.106 246 N CA 0.138 53.203 53.050 0.024 0.000 0.892 246 N CB 0.375 38.895 38.487 0.054 0.000 0.969 246 N HN -0.106 nan 8.380 nan 0.000 0.454 247 V N 2.484 122.368 119.914 -0.050 0.000 2.450 247 V HA -0.040 4.080 4.120 -0.000 0.000 0.281 247 V C 0.766 176.803 176.094 -0.094 0.000 1.019 247 V CA -0.024 62.206 62.300 -0.117 0.000 1.062 247 V CB 0.356 31.991 31.823 -0.314 0.000 0.979 247 V HN 0.120 nan 8.190 nan 0.000 0.477 248 S N 7.901 123.556 115.700 -0.075 0.000 2.554 248 S HA 0.002 4.472 4.470 -0.000 0.000 0.290 248 S C -1.101 173.468 174.600 -0.051 0.000 1.309 248 S CA -0.452 57.711 58.200 -0.060 0.000 1.047 248 S CB 0.555 63.714 63.200 -0.069 0.000 0.828 248 S HN 0.669 nan 8.310 nan 0.000 0.509 249 P HA -0.201 nan 4.420 nan 0.000 0.215 249 P C 1.648 178.949 177.300 0.002 0.000 1.157 249 P CA 1.144 64.237 63.100 -0.013 0.000 0.874 249 P CB -0.000 31.700 31.700 0.001 0.000 0.790 250 E N 0.109 120.304 120.200 -0.009 0.000 2.153 250 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 250 E C 1.684 178.289 176.600 0.009 0.000 0.988 250 E CA 1.632 58.027 56.400 -0.009 0.000 0.811 250 E CB -1.255 28.407 29.700 -0.064 0.000 0.746 250 E HN 0.181 nan 8.360 nan 0.000 0.466 251 A N 1.393 124.205 122.820 -0.014 0.000 2.235 251 A HA 0.036 4.356 4.320 -0.000 0.000 0.208 251 A C 1.667 179.247 177.584 -0.006 0.000 1.172 251 A CA -0.016 52.023 52.037 0.004 0.000 0.786 251 A CB -0.197 18.797 19.000 -0.010 0.000 0.804 251 A HN -0.038 nan 8.150 nan 0.000 0.479 252 R N 0.044 120.538 120.500 -0.010 0.000 2.313 252 R HA 0.032 4.372 4.340 -0.000 0.000 0.199 252 R C 0.000 176.279 176.300 -0.036 0.000 0.958 252 R CA 0.175 56.243 56.100 -0.054 0.000 1.047 252 R CB -0.606 29.662 30.300 -0.053 0.000 0.955 252 R HN 0.613 nan 8.270 nan 0.000 0.481 253 H N 1.539 120.591 119.070 -0.030 0.000 2.517 253 H HA 0.175 4.730 4.556 -0.000 0.000 0.317 253 H C -1.789 173.525 175.328 -0.023 0.000 1.080 253 H CA -2.279 53.777 56.048 0.013 0.000 1.301 253 H CB 2.107 31.922 29.762 0.088 0.000 1.425 253 H HN -0.235 nan 8.280 nan 0.000 0.471 254 P HA -0.131 nan 4.420 nan 0.000 0.218 254 P C 1.244 178.630 177.300 0.144 0.000 1.146 254 P CA 1.149 64.243 63.100 -0.010 0.000 0.813 254 P CB 0.266 31.911 31.700 -0.090 0.000 0.778 255 L N -2.532 118.908 121.223 0.362 0.000 2.592 255 L HA 0.097 4.437 4.340 -0.000 0.000 0.227 255 L C 0.361 177.305 176.870 0.124 0.000 1.127 255 L CA -0.016 54.960 54.840 0.225 0.000 0.884 255 L CB 0.087 42.274 42.059 0.213 0.000 1.065 255 L HN -0.242 nan 8.230 nan 0.000 0.457 256 V N 0.883 120.881 119.914 0.140 0.000 2.370 256 V HA 0.487 4.607 4.120 -0.000 0.000 0.283 256 V C 0.575 176.742 176.094 0.122 0.000 1.023 256 V CA -0.896 61.444 62.300 0.067 0.000 0.857 256 V CB 1.372 33.196 31.823 0.002 0.000 0.985 256 V HN 0.187 nan 8.190 nan 0.000 0.443 257 A N 4.168 127.085 122.820 0.162 0.000 2.477 257 A HA 0.653 4.973 4.320 -0.000 0.000 0.246 257 A C 0.583 178.376 177.584 0.349 0.000 1.078 257 A CA 0.264 52.465 52.037 0.273 0.000 0.770 257 A CB 0.345 19.519 19.000 0.290 0.000 1.011 257 A HN 1.388 nan 8.150 nan 0.000 0.494 258 A N 2.889 125.963 122.820 0.422 0.000 2.412 258 A HA 0.658 4.978 4.320 -0.000 0.000 0.334 258 A C -0.556 177.407 177.584 0.631 0.000 1.419 258 A CA -0.456 51.832 52.037 0.418 0.000 0.930 258 A CB -0.353 18.879 19.000 0.386 0.000 1.149 258 A HN 1.550 nan 8.150 nan 0.000 0.515 259 Y N 0.324 120.717 120.300 0.154 0.000 2.581 259 Y HA 0.777 5.327 4.550 -0.000 0.000 0.337 259 Y C -3.433 172.305 175.900 -0.271 0.000 1.108 259 Y CA -2.973 55.062 58.100 -0.107 0.000 1.033 259 Y CB 1.155 39.630 38.460 0.026 0.000 1.318 259 Y HN 0.306 nan 8.280 nan 0.000 0.459 260 P HA 0.376 nan 4.420 nan 0.000 0.278 260 P C -0.718 176.346 177.300 -0.394 0.000 1.238 260 P CA -0.047 62.685 63.100 -0.612 0.000 0.794 260 P CB 1.097 32.199 31.700 -0.997 0.000 0.955 261 I N 2.339 122.693 120.570 -0.360 0.000 2.623 261 I HA 0.201 4.370 4.170 -0.000 0.000 0.275 261 I C -0.670 175.380 176.117 -0.111 0.000 1.108 261 I CA -0.753 60.470 61.300 -0.128 0.000 1.120 261 I CB 1.228 39.165 38.000 -0.106 0.000 1.249 261 I HN -0.062 nan 8.210 nan 0.000 0.500 262 V N 5.000 124.842 119.914 -0.119 0.000 2.439 262 V HA 0.403 4.523 4.120 -0.000 0.000 0.282 262 V C -0.266 175.898 176.094 0.116 0.000 1.039 262 V CA -0.369 61.875 62.300 -0.093 0.000 0.913 262 V CB 1.254 32.954 31.823 -0.204 0.000 0.983 262 V HN 0.783 nan 8.190 nan 0.000 0.460 263 H N 1.936 121.022 119.070 0.026 0.000 2.946 263 H HA 0.814 5.370 4.556 -0.000 0.000 0.365 263 H C -1.339 173.994 175.328 0.009 0.000 1.197 263 H CA -1.108 54.965 56.048 0.041 0.000 1.131 263 H CB 1.667 31.438 29.762 0.015 0.000 1.849 263 H HN 0.296 nan 8.280 nan 0.000 0.555 264 V N 1.536 121.484 119.914 0.058 0.000 2.481 264 V HA 0.185 4.305 4.120 -0.000 0.000 0.286 264 V C -0.098 176.004 176.094 0.014 0.000 1.042 264 V CA -0.462 61.759 62.300 -0.132 0.000 0.928 264 V CB 1.371 33.077 31.823 -0.194 0.000 0.986 264 V HN 0.918 nan 8.190 nan 0.000 0.462 265 D N 4.932 125.293 120.400 -0.065 0.000 2.440 265 D HA 0.328 4.967 4.640 -0.000 0.000 0.239 265 D C -0.680 175.624 176.300 0.006 0.000 1.084 265 D CA -0.495 53.538 54.000 0.055 0.000 0.843 265 D CB 1.655 42.539 40.800 0.141 0.000 1.097 265 D HN 0.540 nan 8.370 nan 0.000 0.531 266 M N 3.865 123.475 119.600 0.016 0.000 2.188 266 M HA 0.198 4.678 4.480 -0.000 0.000 0.357 266 M C 0.440 176.744 176.300 0.007 0.000 1.204 266 M CA 0.012 55.309 55.300 -0.003 0.000 1.095 266 M CB 1.257 33.856 32.600 -0.001 0.000 1.604 266 M HN 0.361 nan 8.290 nan 0.000 0.464 267 E N 2.654 122.849 120.200 -0.009 0.000 2.152 267 E HA 0.104 4.453 4.350 -0.000 0.000 0.195 267 E C -0.265 176.330 176.600 -0.009 0.000 0.934 267 E CA 0.181 56.575 56.400 -0.011 0.000 0.869 267 E CB 0.370 30.051 29.700 -0.031 0.000 0.842 267 E HN 0.778 nan 8.360 nan 0.000 0.472 268 N N 0.829 119.519 118.700 -0.017 0.000 2.357 268 N HA 0.428 5.168 4.740 -0.000 0.000 0.284 268 N C -1.307 174.189 175.510 -0.024 0.000 1.236 268 N CA -0.564 52.474 53.050 -0.019 0.000 0.774 268 N CB 2.844 41.316 38.487 -0.025 0.000 1.534 268 N HN 0.012 nan 8.380 nan 0.000 0.478 269 I N 0.456 121.006 120.570 -0.034 0.000 2.769 269 I HA 0.528 4.697 4.170 -0.000 0.000 0.298 269 I C -1.283 174.791 176.117 -0.071 0.000 1.128 269 I CA -1.219 60.054 61.300 -0.044 0.000 1.031 269 I CB 2.139 40.116 38.000 -0.038 0.000 1.235 269 I HN 0.678 nan 8.210 nan 0.000 0.423 270 I N 5.455 125.988 120.570 -0.061 0.000 2.499 270 I HA 0.520 4.690 4.170 -0.000 0.000 0.288 270 I C -1.916 174.171 176.117 -0.051 0.000 1.048 270 I CA -0.725 60.532 61.300 -0.072 0.000 1.062 270 I CB 1.955 39.926 38.000 -0.049 0.000 1.238 270 I HN 0.405 nan 8.210 nan 0.000 0.426 271 L N 5.958 127.140 121.223 -0.068 0.000 2.322 271 L HA 0.722 5.062 4.340 -0.000 0.000 0.281 271 L C 0.109 176.991 176.870 0.021 0.000 1.014 271 L CA -0.349 54.499 54.840 0.013 0.000 0.815 271 L CB 2.022 44.125 42.059 0.073 0.000 1.247 271 L HN 0.911 nan 8.230 nan 0.000 0.421 272 S N 1.282 117.006 115.700 0.039 0.000 2.661 272 S HA 0.502 4.972 4.470 -0.000 0.000 0.285 272 S C -0.925 173.679 174.600 0.007 0.000 1.138 272 S CA -1.061 57.147 58.200 0.013 0.000 0.855 272 S CB 2.068 65.271 63.200 0.005 0.000 1.136 272 S HN 0.537 nan 8.310 nan 0.000 0.484 273 K N 1.136 121.528 120.400 -0.013 0.000 2.316 273 K HA 0.205 4.525 4.320 -0.000 0.000 0.289 273 K C -0.314 176.285 176.600 -0.002 0.000 1.070 273 K CA -0.401 55.873 56.287 -0.022 0.000 0.928 273 K CB 0.178 32.659 32.500 -0.031 0.000 1.039 273 K HN 0.601 nan 8.250 nan 0.000 0.480 274 N N 5.289 123.993 118.700 0.007 0.000 2.417 274 N HA -0.090 4.650 4.740 -0.000 0.000 0.272 274 N C -0.974 174.543 175.510 0.011 0.000 1.304 274 N CA 1.039 54.098 53.050 0.015 0.000 0.906 274 N CB -0.005 38.496 38.487 0.023 0.000 1.135 274 N HN 0.730 nan 8.380 nan 0.000 0.483 286 T N 0.778 115.330 114.554 -0.003 0.000 3.976 286 T HA 0.240 4.590 4.350 -0.000 0.000 0.393 286 T C 0.271 174.968 174.700 -0.006 0.000 1.208 286 T CA 0.192 62.289 62.100 -0.005 0.000 0.970 286 T CB -0.224 68.643 68.868 -0.002 0.000 1.759 286 T HN 0.825 nan 8.240 nan 0.000 0.527 287 R N -0.314 120.184 120.500 -0.004 0.000 4.016 287 R HA -0.160 4.179 4.340 -0.000 0.000 0.385 287 R C 0.168 176.462 176.300 -0.011 0.000 1.158 287 R CA 1.041 57.139 56.100 -0.003 0.000 1.117 287 R CB -2.902 27.398 30.300 -0.001 0.000 1.635 287 R HN 0.821 nan 8.270 nan 0.000 0.560 288 T N -1.595 112.946 114.554 -0.022 0.000 2.952 288 T HA 0.786 5.136 4.350 -0.000 0.000 0.286 288 T C 0.321 174.977 174.700 -0.073 0.000 1.024 288 T CA -1.004 61.073 62.100 -0.037 0.000 1.029 288 T CB 2.059 70.908 68.868 -0.031 0.000 1.094 288 T HN 0.183 nan 8.240 nan 0.000 0.515 289 I N 1.444 121.941 120.570 -0.122 0.000 2.474 289 I HA 0.490 4.660 4.170 -0.000 0.000 0.294 289 I C -0.102 175.897 176.117 -0.195 0.000 1.005 289 I CA -0.847 60.320 61.300 -0.222 0.000 1.113 289 I CB 2.137 39.864 38.000 -0.457 0.000 1.289 289 I HN 0.708 nan 8.210 nan 0.000 0.436 290 S N 6.400 122.000 115.700 -0.166 0.000 2.733 290 S HA 0.476 4.946 4.470 -0.000 0.000 0.307 290 S C -0.831 173.705 174.600 -0.108 0.000 1.127 290 S CA -0.728 57.401 58.200 -0.118 0.000 1.097 290 S CB 0.324 63.482 63.200 -0.070 0.000 1.003 290 S HN 0.391 nan 8.310 nan 0.000 0.477 291 K N 3.157 123.491 120.400 -0.110 0.000 2.259 291 K HA 0.486 4.806 4.320 -0.000 0.000 0.249 291 K C -0.759 175.833 176.600 -0.013 0.000 0.942 291 K CA -0.917 55.341 56.287 -0.049 0.000 0.816 291 K CB 1.225 33.700 32.500 -0.041 0.000 1.155 291 K HN 0.559 nan 8.250 nan 0.000 0.428 292 N N 1.217 119.927 118.700 0.016 0.000 2.529 292 N HA 0.218 4.958 4.740 -0.000 0.000 0.278 292 N C -0.378 175.156 175.510 0.040 0.000 1.146 292 N CA -0.035 53.027 53.050 0.020 0.000 0.980 292 N CB 1.088 39.587 38.487 0.020 0.000 1.124 292 N HN 0.526 nan 8.380 nan 0.000 0.458 293 T N -2.492 112.080 114.554 0.031 0.000 2.856 293 T HA 0.461 4.811 4.350 -0.000 0.000 0.283 293 T C -0.144 174.580 174.700 0.039 0.000 1.008 293 T CA -0.894 61.230 62.100 0.041 0.000 0.997 293 T CB 1.414 70.300 68.868 0.031 0.000 0.992 293 T HN 0.176 nan 8.240 nan 0.000 0.454 294 S N 2.098 117.825 115.700 0.046 0.000 2.516 294 S HA 0.447 4.917 4.470 -0.000 0.000 0.268 294 S C -0.100 174.524 174.600 0.040 0.000 1.251 294 S CA -0.594 57.632 58.200 0.043 0.000 1.153 294 S CB -0.056 63.170 63.200 0.043 0.000 1.009 294 S HN 0.982 nan 8.310 nan 0.000 0.479 295 T N 3.487 118.071 114.554 0.049 0.000 2.845 295 T HA 0.627 4.976 4.350 -0.000 0.000 0.288 295 T C -0.456 174.274 174.700 0.050 0.000 0.980 295 T CA -0.221 61.909 62.100 0.050 0.000 1.071 295 T CB 0.646 69.555 68.868 0.068 0.000 0.941 295 T HN 0.477 nan 8.240 nan 0.000 0.487 296 S N 3.625 119.327 115.700 0.004 0.000 2.538 296 S HA 0.478 4.948 4.470 -0.000 0.000 0.288 296 S C -0.415 174.103 174.600 -0.136 0.000 1.108 296 S CA -0.870 57.307 58.200 -0.039 0.000 0.971 296 S CB 1.611 64.795 63.200 -0.027 0.000 1.041 296 S HN 0.842 nan 8.310 nan 0.000 0.483 297 R N 1.845 122.178 120.500 -0.278 0.000 2.537 297 R HA 0.270 4.610 4.340 -0.000 0.000 0.280 297 R C 0.225 176.425 176.300 -0.167 0.000 1.058 297 R CA 0.251 56.112 56.100 -0.398 0.000 1.057 297 R CB 0.210 30.173 30.300 -0.561 0.000 0.973 297 R HN 0.798 nan 8.270 nan 0.000 0.438 298 T N 0.543 115.033 114.554 -0.107 0.000 2.949 298 T HA 0.305 4.655 4.350 -0.000 0.000 0.287 298 T C -0.805 173.926 174.700 0.051 0.000 1.034 298 T CA -0.782 61.302 62.100 -0.026 0.000 1.018 298 T CB 1.605 70.459 68.868 -0.023 0.000 1.135 298 T HN 0.749 nan 8.240 nan 0.000 0.532 299 H N 0.111 119.154 119.070 -0.045 0.000 2.690 299 H HA 0.581 5.137 4.556 -0.000 0.000 0.368 299 H C -0.415 174.906 175.328 -0.013 0.000 1.150 299 H CA -0.336 55.697 56.048 -0.026 0.000 1.174 299 H CB 1.819 31.561 29.762 -0.032 0.000 1.684 299 H HN 0.972 nan 8.280 nan 0.000 0.538 300 T N 1.454 115.611 114.554 -0.662 0.000 2.771 300 T HA 0.221 4.571 4.350 -0.000 0.000 0.291 300 T C 1.252 175.597 174.700 -0.592 0.000 0.954 300 T CA -0.132 61.689 62.100 -0.465 0.000 1.045 300 T CB 0.933 69.666 68.868 -0.224 0.000 0.917 300 T HN 0.650 nan 8.240 nan 0.000 0.484 301 S N 1.722 117.245 115.700 -0.294 0.000 2.442 301 S HA -0.079 4.390 4.470 -0.000 0.000 0.236 301 S C 0.701 175.233 174.600 -0.112 0.000 1.007 301 S CA 0.183 58.285 58.200 -0.163 0.000 0.965 301 S CB -0.468 62.686 63.200 -0.077 0.000 0.773 301 S HN 0.790 nan 8.310 nan 0.000 0.504 302 E N 2.744 122.874 120.200 -0.118 0.000 2.428 302 E HA 0.213 4.563 4.350 -0.000 0.000 0.257 302 E C -1.536 175.035 176.600 -0.047 0.000 1.197 302 E CA -1.466 54.895 56.400 -0.064 0.000 0.974 302 E CB -0.118 29.550 29.700 -0.054 0.000 0.976 302 E HN 0.308 nan 8.360 nan 0.000 0.463 303 P HA 0.012 nan 4.420 nan 0.000 0.313 303 P C 0.397 177.714 177.300 0.029 0.000 1.419 303 P CA 0.024 63.135 63.100 0.018 0.000 0.842 303 P CB -0.187 31.524 31.700 0.017 0.000 2.041 326 N N 0.966 119.679 118.700 0.022 0.000 2.708 326 N HA -0.130 4.610 4.740 -0.000 0.000 0.249 326 N C -0.796 174.721 175.510 0.011 0.000 1.097 326 N CA 1.497 54.552 53.050 0.009 0.000 0.710 326 N CB -1.662 36.821 38.487 -0.007 0.000 1.032 326 N HN 0.709 nan 8.380 nan 0.000 0.551 327 S N -0.429 115.295 115.700 0.041 0.000 2.537 327 S HA 0.417 4.886 4.470 -0.000 0.000 0.271 327 S C -0.646 174.007 174.600 0.090 0.000 1.148 327 S CA -0.961 57.274 58.200 0.058 0.000 0.868 327 S CB 2.123 65.350 63.200 0.044 0.000 1.115 327 S HN 0.161 nan 8.310 nan 0.000 0.461 328 N N 1.468 120.239 118.700 0.120 0.000 2.417 328 N HA 0.688 5.428 4.740 -0.000 0.000 0.300 328 N C -0.853 174.719 175.510 0.103 0.000 1.102 328 N CA -0.517 52.608 53.050 0.124 0.000 0.886 328 N CB 1.980 40.568 38.487 0.168 0.000 1.203 328 N HN 0.713 nan 8.380 nan 0.000 0.496 329 S N -0.811 114.927 115.700 0.063 0.000 2.595 329 S HA 0.739 5.209 4.470 -0.000 0.000 0.281 329 S C -0.694 173.896 174.600 -0.017 0.000 1.117 329 S CA -0.780 57.445 58.200 0.040 0.000 0.873 329 S CB 1.672 64.888 63.200 0.027 0.000 1.108 329 S HN 0.562 nan 8.310 nan 0.000 0.477 330 S N 0.312 116.009 115.700 -0.006 0.000 2.569 330 S HA 0.790 5.260 4.470 -0.000 0.000 0.280 330 S C -0.839 173.754 174.600 -0.010 0.000 1.111 330 S CA -0.752 57.419 58.200 -0.049 0.000 0.887 330 S CB 1.508 64.699 63.200 -0.016 0.000 1.095 330 S HN 0.765 nan 8.310 nan 0.000 0.476 331 T N 1.826 116.369 114.554 -0.019 0.000 2.824 331 T HA 0.594 4.943 4.350 -0.000 0.000 0.280 331 T C -0.588 174.116 174.700 0.006 0.000 0.995 331 T CA -0.485 61.612 62.100 -0.005 0.000 1.009 331 T CB 1.251 70.112 68.868 -0.011 0.000 0.955 331 T HN 0.588 nan 8.240 nan 0.000 0.452 332 V N 2.647 122.568 119.914 0.012 0.000 2.427 332 V HA 0.726 4.846 4.120 -0.000 0.000 0.286 332 V C 0.162 176.269 176.094 0.021 0.000 1.034 332 V CA -0.893 61.420 62.300 0.021 0.000 0.893 332 V CB 1.322 33.159 31.823 0.023 0.000 0.982 332 V HN 1.053 nan 8.190 nan 0.000 0.452 333 A N 6.397 129.234 122.820 0.030 0.000 2.287 333 A HA 0.798 5.118 4.320 -0.000 0.000 0.317 333 A C -0.510 177.115 177.584 0.068 0.000 1.220 333 A CA -0.523 51.536 52.037 0.036 0.000 0.835 333 A CB 0.399 19.417 19.000 0.029 0.000 1.180 333 A HN 0.778 nan 8.150 nan 0.000 0.500 334 I N 1.783 122.410 120.570 0.095 0.000 2.396 334 I HA 0.131 4.301 4.170 -0.000 0.000 0.292 334 I C 0.038 176.287 176.117 0.220 0.000 0.999 334 I CA -0.602 60.791 61.300 0.155 0.000 1.310 334 I CB 1.296 39.431 38.000 0.225 0.000 1.404 334 I HN 0.652 nan 8.210 nan 0.000 0.496 335 D N 5.622 126.148 120.400 0.210 0.000 2.450 335 D HA -0.085 4.555 4.640 -0.000 0.000 0.247 335 D C 0.989 177.495 176.300 0.343 0.000 1.162 335 D CA 0.348 54.487 54.000 0.232 0.000 0.879 335 D CB 0.558 41.438 40.800 0.133 0.000 1.163 335 D HN 0.527 nan 8.370 nan 0.000 0.472 336 H N 1.319 120.496 119.070 0.178 0.000 2.594 336 H HA 0.283 4.839 4.556 -0.000 0.000 0.279 336 H C 0.149 175.580 175.328 0.171 0.000 1.042 336 H CA -0.562 55.604 56.048 0.196 0.000 1.177 336 H CB -0.349 29.478 29.762 0.108 0.000 1.524 336 H HN 0.071 nan 8.280 nan 0.000 0.537 337 S N 0.749 116.337 115.700 -0.188 0.000 2.634 337 S HA 0.227 4.696 4.470 -0.000 0.000 0.254 337 S C 0.821 175.421 174.600 -0.000 0.000 1.299 337 S CA -0.600 57.498 58.200 -0.170 0.000 0.974 337 S CB 0.792 63.938 63.200 -0.089 0.000 1.001 337 S HN 0.235 nan 8.310 nan 0.000 0.584 338 L N 0.831 122.062 121.223 0.013 0.000 2.456 338 L HA 0.378 4.718 4.340 -0.000 0.000 0.257 338 L C 0.418 177.341 176.870 0.088 0.000 1.162 338 L CA -0.184 54.692 54.840 0.060 0.000 0.808 338 L CB 1.034 43.135 42.059 0.070 0.000 1.136 338 L HN 0.529 nan 8.230 nan 0.000 0.466 346 W N 1.819 123.202 121.300 0.139 0.000 2.360 346 W HA 0.125 4.785 4.660 -0.000 0.000 0.323 346 W C 2.700 179.346 176.519 0.210 0.000 1.181 346 W CA 1.590 59.056 57.345 0.201 0.000 1.261 346 W CB -1.452 28.163 29.460 0.257 0.000 1.195 346 W HN 0.918 nan 8.180 nan 0.000 0.454 347 A N 0.042 123.184 122.820 0.536 0.000 1.958 347 A HA -0.323 3.997 4.320 -0.000 0.000 0.221 347 A C 1.989 179.645 177.584 0.120 0.000 1.178 347 A CA 2.440 54.585 52.037 0.180 0.000 0.642 347 A CB -1.064 18.028 19.000 0.152 0.000 0.816 347 A HN 0.511 nan 8.150 nan 0.000 0.453 348 E N -0.948 119.351 120.200 0.166 0.000 2.017 348 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 348 E C 1.979 178.636 176.600 0.096 0.000 0.997 348 E CA 1.776 58.246 56.400 0.117 0.000 0.804 348 E CB -0.276 29.496 29.700 0.120 0.000 0.757 348 E HN 0.527 nan 8.360 nan 0.000 0.448 349 T N 0.836 115.463 114.554 0.122 0.000 2.849 349 T HA -0.151 4.199 4.350 -0.000 0.000 0.270 349 T C 1.650 176.381 174.700 0.052 0.000 1.066 349 T CA 1.529 63.680 62.100 0.085 0.000 1.130 349 T CB -0.117 68.807 68.868 0.094 0.000 0.864 349 T HN 0.258 nan 8.240 nan 0.000 0.481 350 M N 0.133 119.765 119.600 0.052 0.000 2.509 350 M HA 0.252 4.732 4.480 -0.000 0.000 0.250 350 M C 1.375 177.666 176.300 -0.014 0.000 1.132 350 M CA 0.105 55.407 55.300 0.003 0.000 1.080 350 M CB 0.238 32.819 32.600 -0.031 0.000 1.408 350 M HN 0.312 nan 8.290 nan 0.000 0.484 351 G N 2.861 111.666 108.800 0.008 0.000 2.370 351 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.293 351 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.293 351 G C -0.408 174.486 174.900 -0.011 0.000 0.992 351 G CA -0.150 44.955 45.100 0.008 0.000 1.247 351 G HN 0.434 nan 8.290 nan 0.000 0.505 352 L N 1.053 122.267 121.223 -0.016 0.000 2.259 352 L HA 0.291 4.631 4.340 -0.000 0.000 0.288 352 L C 0.261 177.179 176.870 0.079 0.000 1.051 352 L CA -1.095 53.736 54.840 -0.015 0.000 0.824 352 L CB 0.620 42.582 42.059 -0.161 0.000 1.206 352 L HN 0.168 nan 8.230 nan 0.000 0.429 353 N N 0.975 119.680 118.700 0.007 0.000 2.467 353 N HA 0.125 4.865 4.740 -0.000 0.000 0.262 353 N C 1.258 176.637 175.510 -0.218 0.000 1.234 353 N CA -0.229 52.776 53.050 -0.075 0.000 0.952 353 N CB 0.791 39.237 38.487 -0.069 0.000 1.158 353 N HN 0.385 nan 8.380 nan 0.000 0.463 354 T N 0.098 114.358 114.554 -0.490 0.000 2.822 354 T HA -0.161 4.189 4.350 -0.000 0.000 0.270 354 T C 1.293 175.793 174.700 -0.333 0.000 1.064 354 T CA 1.637 63.239 62.100 -0.830 0.000 1.131 354 T CB -0.143 68.360 68.868 -0.609 0.000 0.858 354 T HN 0.636 nan 8.240 nan 0.000 0.483 355 A N 1.752 124.470 122.820 -0.170 0.000 2.307 355 A HA 0.174 4.494 4.320 -0.000 0.000 0.218 355 A C 1.083 178.654 177.584 -0.022 0.000 1.228 355 A CA -0.291 51.704 52.037 -0.070 0.000 0.857 355 A CB -0.170 18.795 19.000 -0.058 0.000 0.897 355 A HN 0.601 nan 8.150 nan 0.000 0.495 356 D N -0.531 119.866 120.400 -0.006 0.000 2.325 356 D HA 0.261 4.901 4.640 -0.000 0.000 0.262 356 D C -0.015 176.311 176.300 0.043 0.000 1.263 356 D CA 0.494 54.505 54.000 0.019 0.000 1.020 356 D CB 0.302 41.113 40.800 0.020 0.000 1.117 356 D HN -0.016 nan 8.370 nan 0.000 0.545 357 T N -1.947 112.625 114.554 0.030 0.000 3.579 357 T HA 0.538 4.888 4.350 -0.000 0.000 0.360 357 T C -1.556 173.161 174.700 0.029 0.000 1.285 357 T CA -0.439 61.687 62.100 0.044 0.000 1.127 357 T CB 0.458 69.352 68.868 0.043 0.000 1.244 357 T HN 0.704 nan 8.240 nan 0.000 0.476 358 A N 4.371 127.223 122.820 0.052 0.000 2.310 358 A HA 0.813 5.133 4.320 -0.000 0.000 0.299 358 A C 0.272 177.908 177.584 0.087 0.000 1.147 358 A CA -0.708 51.371 52.037 0.071 0.000 0.818 358 A CB 0.685 19.799 19.000 0.190 0.000 1.096 358 A HN 0.885 nan 8.150 nan 0.000 0.495 359 R N 1.973 122.516 120.500 0.071 0.000 2.540 359 R HA 0.724 5.064 4.340 -0.000 0.000 0.287 359 R C -1.625 174.714 176.300 0.065 0.000 0.980 359 R CA -0.539 55.597 56.100 0.060 0.000 0.966 359 R CB 0.947 31.271 30.300 0.039 0.000 1.106 359 R HN 0.737 nan 8.270 nan 0.000 0.480 360 L N 3.042 124.297 121.223 0.052 0.000 2.385 360 L HA 0.518 4.858 4.340 -0.000 0.000 0.273 360 L C -1.538 175.346 176.870 0.023 0.000 0.990 360 L CA -0.610 54.254 54.840 0.040 0.000 0.821 360 L CB 2.091 44.177 42.059 0.045 0.000 1.279 360 L HN 0.788 nan 8.230 nan 0.000 0.412 361 N N 2.852 121.557 118.700 0.009 0.000 2.284 361 N HA 0.925 5.665 4.740 -0.000 0.000 0.289 361 N C -1.722 173.782 175.510 -0.008 0.000 1.179 361 N CA -0.178 52.874 53.050 0.002 0.000 0.774 361 N CB 2.476 40.963 38.487 0.000 0.000 1.548 361 N HN 0.815 nan 8.380 nan 0.000 0.473 362 A N 1.305 124.118 122.820 -0.010 0.000 2.597 362 A HA 0.512 4.832 4.320 -0.000 0.000 0.292 362 A C -1.759 175.812 177.584 -0.022 0.000 1.057 362 A CA -0.821 51.205 52.037 -0.018 0.000 0.674 362 A CB 0.930 19.920 19.000 -0.016 0.000 1.278 362 A HN 0.774 nan 8.150 nan 0.000 0.416 363 N N 0.298 118.981 118.700 -0.028 0.000 2.408 363 N HA 0.682 5.422 4.740 -0.000 0.000 0.280 363 N C -0.469 175.014 175.510 -0.045 0.000 1.002 363 N CA -0.461 52.568 53.050 -0.035 0.000 0.907 363 N CB 1.847 40.312 38.487 -0.037 0.000 1.161 363 N HN 0.741 nan 8.380 nan 0.000 0.488 364 I N -1.753 118.781 120.570 -0.060 0.000 3.042 364 I HA 0.661 4.831 4.170 -0.000 0.000 0.310 364 I C -1.063 174.994 176.117 -0.101 0.000 1.117 364 I CA -1.075 60.169 61.300 -0.095 0.000 1.003 364 I CB 2.269 40.174 38.000 -0.159 0.000 1.228 364 I HN 0.314 nan 8.210 nan 0.000 0.443 365 R N 2.364 122.800 120.500 -0.106 0.000 2.673 365 R HA 0.487 4.827 4.340 -0.000 0.000 0.281 365 R C -1.912 174.327 176.300 -0.101 0.000 0.991 365 R CA -0.801 55.286 56.100 -0.022 0.000 0.896 365 R CB 2.315 32.685 30.300 0.116 0.000 1.201 365 R HN 0.560 nan 8.270 nan 0.000 0.457 366 Y N 0.764 121.105 120.300 0.069 0.000 2.304 366 Y HA 0.355 4.905 4.550 -0.000 0.000 0.328 366 Y C 0.356 176.170 175.900 -0.144 0.000 1.123 366 Y CA -0.428 57.656 58.100 -0.026 0.000 1.218 366 Y CB 1.565 40.048 38.460 0.038 0.000 1.207 366 Y HN 0.182 nan 8.280 nan 0.000 0.495 367 V N 4.557 124.304 119.914 -0.278 0.000 2.531 367 V HA 0.466 4.586 4.120 -0.000 0.000 0.301 367 V C -1.205 174.642 176.094 -0.413 0.000 1.034 367 V CA -0.724 61.263 62.300 -0.522 0.000 0.865 367 V CB 1.585 32.858 31.823 -0.917 0.000 0.995 367 V HN 0.828 nan 8.190 nan 0.000 0.424 368 N N 3.942 122.447 118.700 -0.326 0.000 2.439 368 N HA 0.350 5.089 4.740 -0.000 0.000 0.249 368 N C 0.542 175.913 175.510 -0.231 0.000 1.003 368 N CA 0.307 53.193 53.050 -0.275 0.000 0.942 368 N CB 1.546 39.864 38.487 -0.282 0.000 1.115 368 N HN 0.871 nan 8.380 nan 0.000 0.505 369 T N -0.060 114.391 114.554 -0.170 0.000 3.214 369 T HA 0.385 4.734 4.350 -0.000 0.000 0.264 369 T C 0.915 175.517 174.700 -0.163 0.000 1.012 369 T CA -0.520 61.507 62.100 -0.121 0.000 0.901 369 T CB 0.000 68.852 68.868 -0.028 0.000 1.070 369 T HN 0.312 nan 8.240 nan 0.000 0.561 370 G N 1.451 110.103 108.800 -0.247 0.000 2.630 370 G HA2 0.460 4.420 3.960 -0.000 0.000 0.223 370 G HA3 0.460 4.420 3.960 -0.000 0.000 0.223 370 G C 0.711 175.433 174.900 -0.297 0.000 1.434 370 G CA 0.059 44.938 45.100 -0.368 0.000 1.057 370 G HN 0.367 nan 8.290 nan 0.000 0.570 371 T N -3.326 111.031 114.554 -0.329 0.000 3.043 371 T HA 0.625 4.975 4.350 -0.000 0.000 0.272 371 T C 0.302 174.947 174.700 -0.090 0.000 0.990 371 T CA 0.597 62.590 62.100 -0.180 0.000 0.897 371 T CB 0.453 69.236 68.868 -0.141 0.000 1.111 371 T HN 1.023 nan 8.240 nan 0.000 0.529 372 A N 2.263 125.018 122.820 -0.107 0.000 2.498 372 A HA 0.886 5.206 4.320 -0.000 0.000 0.298 372 A C -3.081 174.472 177.584 -0.051 0.000 1.075 372 A CA -2.060 50.011 52.037 0.057 0.000 0.714 372 A CB 1.828 21.041 19.000 0.355 0.000 1.299 372 A HN 0.096 nan 8.150 nan 0.000 0.407 373 P HA 0.612 nan 4.420 nan 0.000 0.279 373 P C -0.810 176.439 177.300 -0.086 0.000 1.276 373 P CA -0.340 62.706 63.100 -0.091 0.000 0.801 373 P CB 1.112 32.753 31.700 -0.098 0.000 1.127 374 I N 0.069 120.447 120.570 -0.320 0.000 2.608 374 I HA 0.353 4.523 4.170 -0.000 0.000 0.295 374 I C -0.832 175.052 176.117 -0.389 0.000 1.049 374 I CA -0.919 60.257 61.300 -0.207 0.000 1.063 374 I CB 1.819 39.635 38.000 -0.307 0.000 1.248 374 I HN 0.285 nan 8.210 nan 0.000 0.424 375 Y N 4.754 125.087 120.300 0.055 0.000 2.361 375 Y HA 0.310 4.859 4.550 -0.000 0.000 0.337 375 Y C 0.598 176.492 175.900 -0.009 0.000 0.965 375 Y CA -0.788 57.321 58.100 0.015 0.000 1.091 375 Y CB 1.349 39.844 38.460 0.057 0.000 1.182 375 Y HN 0.599 nan 8.280 nan 0.000 0.450 376 N N -0.038 118.699 118.700 0.062 0.000 2.815 376 N HA -0.168 4.572 4.740 -0.000 0.000 0.247 376 N C -1.041 174.462 175.510 -0.012 0.000 1.030 376 N CA 1.012 54.076 53.050 0.023 0.000 0.881 376 N CB -1.207 37.323 38.487 0.072 0.000 1.134 376 N HN 0.283 nan 8.380 nan 0.000 0.582 377 V N 0.462 120.352 119.914 -0.039 0.000 2.971 377 V HA 0.624 4.744 4.120 -0.000 0.000 0.309 377 V C -0.130 175.890 176.094 -0.124 0.000 1.130 377 V CA -0.791 61.488 62.300 -0.035 0.000 0.964 377 V CB 2.928 34.787 31.823 0.061 0.000 1.029 377 V HN 0.061 nan 8.190 nan 0.000 0.427 378 L N 3.962 125.102 121.223 -0.138 0.000 2.381 378 L HA 0.616 4.956 4.340 -0.000 0.000 0.268 378 L C -2.614 174.215 176.870 -0.068 0.000 0.997 378 L CA -1.786 52.904 54.840 -0.249 0.000 0.818 378 L CB 2.885 44.624 42.059 -0.534 0.000 1.310 378 L HN 0.441 nan 8.230 nan 0.000 0.416 379 P HA 0.155 nan 4.420 nan 0.000 0.274 379 P C -0.707 176.684 177.300 0.151 0.000 1.231 379 P CA -0.310 62.882 63.100 0.152 0.000 0.790 379 P CB 0.552 32.423 31.700 0.286 0.000 0.951 380 T N 2.014 116.640 114.554 0.119 0.000 2.869 380 T HA 0.362 4.712 4.350 -0.000 0.000 0.295 380 T C 0.022 174.801 174.700 0.131 0.000 0.987 380 T CA 0.100 62.270 62.100 0.117 0.000 1.109 380 T CB -0.071 68.842 68.868 0.075 0.000 0.932 380 T HN 0.299 nan 8.240 nan 0.000 0.518 381 T N 2.675 117.312 114.554 0.137 0.000 2.841 381 T HA 0.468 4.818 4.350 -0.000 0.000 0.283 381 T C -0.252 174.495 174.700 0.077 0.000 1.000 381 T CA -0.736 61.432 62.100 0.115 0.000 0.977 381 T CB 1.404 70.344 68.868 0.121 0.000 0.979 381 T HN 0.422 nan 8.240 nan 0.000 0.446 382 S N 2.458 118.195 115.700 0.062 0.000 2.433 382 S HA 0.446 4.916 4.470 -0.000 0.000 0.310 382 S C -0.521 174.102 174.600 0.038 0.000 1.097 382 S CA -0.710 57.518 58.200 0.047 0.000 1.103 382 S CB 0.723 63.947 63.200 0.040 0.000 0.992 382 S HN 0.549 nan 8.310 nan 0.000 0.469 383 L N 5.981 127.224 121.223 0.033 0.000 2.295 383 L HA 0.466 4.806 4.340 -0.000 0.000 0.288 383 L C -0.862 176.022 176.870 0.024 0.000 1.079 383 L CA 0.046 54.902 54.840 0.026 0.000 0.830 383 L CB 0.161 42.234 42.059 0.024 0.000 1.200 383 L HN 0.412 nan 8.230 nan 0.000 0.438 384 V N 6.127 126.053 119.914 0.020 0.000 2.513 384 V HA 0.472 4.592 4.120 -0.000 0.000 0.299 384 V C -0.319 175.781 176.094 0.010 0.000 1.035 384 V CA -0.756 61.553 62.300 0.016 0.000 0.889 384 V CB 1.722 33.553 31.823 0.014 0.000 0.988 384 V HN 0.641 nan 8.190 nan 0.000 0.440 385 L N 4.583 125.811 121.223 0.009 0.000 2.334 385 L HA 0.961 5.301 4.340 -0.000 0.000 0.276 385 L C 0.629 177.498 176.870 -0.002 0.000 1.014 385 L CA 1.402 56.242 54.840 0.002 0.000 0.815 385 L CB 1.059 43.120 42.059 0.004 0.000 1.268 385 L HN 0.980 nan 8.230 nan 0.000 0.428 386 G N 4.337 113.130 108.800 -0.011 0.000 2.556 386 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.283 386 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.283 386 G C 0.706 175.600 174.900 -0.009 0.000 1.177 386 G CA 0.544 45.636 45.100 -0.013 0.000 0.978 386 G HN 0.738 nan 8.290 nan 0.000 0.554 387 K N 1.377 121.773 120.400 -0.007 0.000 2.242 387 K HA 0.088 4.408 4.320 -0.000 0.000 0.200 387 K C 1.140 177.740 176.600 -0.000 0.000 1.050 387 K CA 1.142 57.426 56.287 -0.005 0.000 0.981 387 K CB 0.068 32.565 32.500 -0.006 0.000 0.795 387 K HN 0.647 nan 8.250 nan 0.000 0.477 388 N N -0.220 118.482 118.700 0.003 0.000 2.393 388 N HA -0.045 4.695 4.740 -0.000 0.000 0.256 388 N C -1.128 174.389 175.510 0.011 0.000 1.449 388 N CA -0.178 52.876 53.050 0.008 0.000 0.887 388 N CB -0.203 38.289 38.487 0.007 0.000 1.374 388 N HN -0.066 nan 8.380 nan 0.000 0.503 389 Q N 1.159 120.966 119.800 0.012 0.000 2.681 389 Q HA 0.210 4.550 4.340 -0.000 0.000 0.222 389 Q C -0.515 175.496 176.000 0.020 0.000 1.258 389 Q CA -0.053 55.760 55.803 0.017 0.000 1.014 389 Q CB 0.258 29.007 28.738 0.017 0.000 1.384 389 Q HN 0.142 nan 8.270 nan 0.000 0.570 390 T N 3.263 117.830 114.554 0.021 0.000 2.754 390 T HA 0.055 4.405 4.350 -0.000 0.000 0.282 390 T C 1.441 176.158 174.700 0.028 0.000 0.923 390 T CA 0.153 62.267 62.100 0.024 0.000 1.164 390 T CB 0.273 69.156 68.868 0.025 0.000 0.873 390 T HN 0.462 nan 8.240 nan 0.000 0.537 391 L N 1.733 122.973 121.223 0.029 0.000 2.068 391 L HA 0.268 4.608 4.340 -0.000 0.000 0.204 391 L C 1.390 178.281 176.870 0.034 0.000 1.076 391 L CA 0.642 55.502 54.840 0.033 0.000 0.753 391 L CB -0.220 41.859 42.059 0.033 0.000 0.910 391 L HN 0.672 nan 8.230 nan 0.000 0.439 392 A N -1.354 121.486 122.820 0.033 0.000 2.594 392 A HA 0.664 4.984 4.320 -0.000 0.000 0.291 392 A C -0.913 176.693 177.584 0.038 0.000 1.105 392 A CA -0.347 51.712 52.037 0.035 0.000 0.694 392 A CB 1.513 20.534 19.000 0.035 0.000 1.291 392 A HN -0.076 nan 8.150 nan 0.000 0.410 393 T N 1.677 116.255 114.554 0.041 0.000 2.833 393 T HA 0.507 4.857 4.350 -0.000 0.000 0.297 393 T C -0.557 174.177 174.700 0.057 0.000 1.015 393 T CA 0.080 62.209 62.100 0.048 0.000 0.963 393 T CB 0.093 68.988 68.868 0.044 0.000 0.955 393 T HN 0.414 nan 8.240 nan 0.000 0.449 394 I N 4.057 124.670 120.570 0.071 0.000 2.297 394 I HA 0.381 4.551 4.170 -0.000 0.000 0.291 394 I C 0.470 176.660 176.117 0.122 0.000 1.033 394 I CA -0.522 60.833 61.300 0.092 0.000 1.253 394 I CB 0.677 38.733 38.000 0.093 0.000 1.396 394 I HN 0.297 nan 8.210 nan 0.000 0.476 395 K N 4.150 124.613 120.400 0.105 0.000 2.258 395 K HA 0.798 5.117 4.320 -0.000 0.000 0.236 395 K C -0.416 176.246 176.600 0.103 0.000 1.008 395 K CA -0.872 55.474 56.287 0.098 0.000 0.869 395 K CB 2.080 34.619 32.500 0.065 0.000 1.171 395 K HN 0.626 nan 8.250 nan 0.000 0.447 396 A N 1.710 124.572 122.820 0.071 0.000 2.327 396 A HA 0.253 4.573 4.320 -0.000 0.000 0.283 396 A C -0.346 177.265 177.584 0.044 0.000 1.127 396 A CA -0.299 51.770 52.037 0.054 0.000 0.810 396 A CB 0.257 19.248 19.000 -0.015 0.000 1.066 396 A HN 0.605 nan 8.150 nan 0.000 0.492 397 K N 0.569 120.999 120.400 0.050 0.000 2.120 397 K HA 0.291 4.611 4.320 -0.000 0.000 0.245 397 K C 0.152 176.769 176.600 0.027 0.000 1.024 397 K CA 0.178 56.484 56.287 0.033 0.000 0.906 397 K CB 0.344 32.859 32.500 0.026 0.000 1.051 397 K HN 0.852 nan 8.250 nan 0.000 0.491 398 E N 0.162 120.374 120.200 0.021 0.000 3.912 398 E HA -0.380 3.970 4.350 -0.000 0.000 0.335 398 E C -0.030 176.581 176.600 0.019 0.000 0.654 398 E CA 0.985 57.397 56.400 0.020 0.000 1.177 398 E CB -0.903 28.811 29.700 0.024 0.000 1.650 398 E HN 0.806 nan 8.360 nan 0.000 0.430 399 N N -1.162 117.549 118.700 0.018 0.000 2.887 399 N HA -0.239 4.501 4.740 -0.000 0.000 0.219 399 N C -0.217 175.300 175.510 0.012 0.000 0.855 399 N CA 2.329 55.389 53.050 0.016 0.000 1.164 399 N CB -0.848 37.650 38.487 0.018 0.000 0.969 399 N HN 0.575 nan 8.380 nan 0.000 0.610 400 Q N 0.071 119.879 119.800 0.013 0.000 2.878 400 Q HA 0.315 4.655 4.340 -0.000 0.000 0.232 400 Q C 0.395 176.404 176.000 0.014 0.000 0.893 400 Q CA -0.438 55.372 55.803 0.012 0.000 0.742 400 Q CB 1.163 29.912 28.738 0.018 0.000 1.354 400 Q HN -0.014 nan 8.270 nan 0.000 0.466 401 L N -0.233 120.992 121.223 0.003 0.000 2.376 401 L HA -0.000 4.340 4.340 -0.000 0.000 0.219 401 L C 0.506 177.390 176.870 0.024 0.000 1.133 401 L CA 0.882 55.736 54.840 0.023 0.000 0.816 401 L CB -1.032 41.044 42.059 0.027 0.000 0.933 401 L HN 0.662 nan 8.230 nan 0.000 0.449 402 S N 0.485 116.191 115.700 0.010 0.000 3.783 402 S HA -0.168 4.301 4.470 -0.000 0.000 0.360 402 S C 0.452 175.067 174.600 0.026 0.000 1.006 402 S CA 0.825 59.042 58.200 0.028 0.000 1.115 402 S CB -1.147 62.076 63.200 0.037 0.000 0.893 402 S HN 0.729 nan 8.310 nan 0.000 0.475 403 Q N 0.056 119.836 119.800 -0.034 0.000 3.017 403 Q HA 0.897 5.236 4.340 -0.000 0.000 0.299 403 Q C -0.180 175.731 176.000 -0.148 0.000 1.046 403 Q CA -1.028 54.731 55.803 -0.073 0.000 0.821 403 Q CB 1.084 29.741 28.738 -0.136 0.000 1.481 403 Q HN 0.469 nan 8.270 nan 0.000 0.494 404 I N 0.398 120.845 120.570 -0.206 0.000 2.569 404 I HA 0.469 4.639 4.170 -0.000 0.000 0.290 404 I C -1.849 174.076 176.117 -0.321 0.000 1.088 404 I CA -1.406 59.690 61.300 -0.339 0.000 1.047 404 I CB 1.927 39.740 38.000 -0.311 0.000 1.237 404 I HN 0.608 nan 8.210 nan 0.000 0.421 405 L N 8.213 129.202 121.223 -0.390 0.000 2.387 405 L HA 0.663 5.003 4.340 -0.000 0.000 0.259 405 L C 0.008 176.717 176.870 -0.267 0.000 1.050 405 L CA -0.160 54.515 54.840 -0.274 0.000 0.922 405 L CB 0.654 42.537 42.059 -0.293 0.000 1.280 405 L HN 0.664 nan 8.230 nan 0.000 0.449 406 A N 5.677 128.380 122.820 -0.195 0.000 2.366 406 A HA 0.671 4.991 4.320 -0.000 0.000 0.249 406 A C -2.366 175.129 177.584 -0.148 0.000 1.084 406 A CA -1.141 50.799 52.037 -0.161 0.000 0.794 406 A CB -0.475 18.468 19.000 -0.096 0.000 1.034 406 A HN 0.604 nan 8.150 nan 0.000 0.491 407 P HA 0.054 nan 4.420 nan 0.000 0.265 407 P C 0.263 177.498 177.300 -0.109 0.000 1.187 407 P CA 0.835 63.851 63.100 -0.141 0.000 0.766 407 P CB 0.250 31.879 31.700 -0.118 0.000 0.820 408 N N 0.264 118.890 118.700 -0.124 0.000 2.878 408 N HA -0.166 4.574 4.740 -0.000 0.000 0.247 408 N C -0.689 174.773 175.510 -0.081 0.000 1.021 408 N CA 0.998 53.993 53.050 -0.092 0.000 0.873 408 N CB -1.498 36.964 38.487 -0.042 0.000 1.128 408 N HN 0.409 nan 8.380 nan 0.000 0.571 409 N N -0.631 118.001 118.700 -0.114 0.000 2.381 409 N HA 0.432 5.172 4.740 -0.000 0.000 0.294 409 N C -0.757 174.684 175.510 -0.116 0.000 1.216 409 N CA -0.225 52.802 53.050 -0.038 0.000 0.803 409 N CB 0.516 39.005 38.487 0.004 0.000 1.372 409 N HN 0.087 nan 8.380 nan 0.000 0.500 410 Y N -0.138 120.166 120.300 0.006 0.000 2.453 410 Y HA 0.423 4.973 4.550 -0.000 0.000 0.326 410 Y C -0.570 175.393 175.900 0.105 0.000 1.186 410 Y CA -0.587 57.528 58.100 0.025 0.000 1.200 410 Y CB 1.342 39.800 38.460 -0.004 0.000 1.247 410 Y HN 0.425 nan 8.280 nan 0.000 0.482 411 Y N 3.590 123.988 120.300 0.163 0.000 2.354 411 Y HA 0.501 5.051 4.550 -0.000 0.000 0.330 411 Y C -3.026 172.977 175.900 0.173 0.000 1.011 411 Y CA -2.926 55.248 58.100 0.122 0.000 1.099 411 Y CB 1.754 40.246 38.460 0.053 0.000 1.179 411 Y HN 0.341 nan 8.280 nan 0.000 0.442 412 P HA 0.172 nan 4.420 nan 0.000 0.274 412 P C -0.722 176.519 177.300 -0.098 0.000 1.237 412 P CA -0.187 62.607 63.100 -0.510 0.000 0.793 412 P CB 0.741 32.166 31.700 -0.459 0.000 0.977 413 S N 1.563 117.254 115.700 -0.014 0.000 2.560 413 S HA -0.007 4.463 4.470 -0.000 0.000 0.276 413 S C 1.077 175.653 174.600 -0.039 0.000 1.350 413 S CA -0.221 57.998 58.200 0.031 0.000 1.024 413 S CB 0.158 63.380 63.200 0.037 0.000 0.864 413 S HN 0.305 nan 8.310 nan 0.000 0.536 414 K N 1.745 122.104 120.400 -0.068 0.000 2.360 414 K HA -0.099 4.221 4.320 -0.000 0.000 0.201 414 K C 1.334 177.879 176.600 -0.092 0.000 1.046 414 K CA 1.049 57.251 56.287 -0.141 0.000 0.945 414 K CB -0.697 31.681 32.500 -0.202 0.000 0.750 414 K HN 0.871 nan 8.250 nan 0.000 0.464 415 N N 0.538 119.204 118.700 -0.057 0.000 2.398 415 N HA -0.024 4.716 4.740 -0.000 0.000 0.188 415 N C 0.466 175.950 175.510 -0.043 0.000 1.122 415 N CA 0.110 53.134 53.050 -0.043 0.000 0.866 415 N CB 0.029 38.501 38.487 -0.025 0.000 0.970 415 N HN 0.088 nan 8.380 nan 0.000 0.462 416 L N -0.047 121.142 121.223 -0.056 0.000 2.286 416 L HA 0.675 5.015 4.340 -0.000 0.000 0.265 416 L C 0.226 177.052 176.870 -0.074 0.000 1.012 416 L CA -1.567 53.236 54.840 -0.061 0.000 0.818 416 L CB 1.434 43.450 42.059 -0.072 0.000 1.337 416 L HN -0.068 nan 8.230 nan 0.000 0.438 417 A N 1.290 124.069 122.820 -0.068 0.000 2.477 417 A HA 0.468 4.788 4.320 -0.000 0.000 0.246 417 A C -2.315 175.217 177.584 -0.087 0.000 1.078 417 A CA -0.787 51.210 52.037 -0.067 0.000 0.770 417 A CB -0.649 18.320 19.000 -0.052 0.000 1.011 417 A HN 0.387 nan 8.150 nan 0.000 0.494 418 P HA 0.274 nan 4.420 nan 0.000 0.274 418 P C -0.496 176.763 177.300 -0.069 0.000 1.260 418 P CA -0.259 62.793 63.100 -0.080 0.000 0.793 418 P CB 0.387 32.048 31.700 -0.064 0.000 1.048 419 I N 0.209 120.746 120.570 -0.055 0.000 2.365 419 I HA 0.396 4.566 4.170 -0.000 0.000 0.291 419 I C 0.373 176.481 176.117 -0.015 0.000 1.004 419 I CA -0.537 60.752 61.300 -0.018 0.000 1.311 419 I CB 0.948 38.976 38.000 0.047 0.000 1.401 419 I HN 0.280 nan 8.210 nan 0.000 0.491 420 A N 7.629 130.444 122.820 -0.009 0.000 2.305 420 A HA 0.658 4.978 4.320 -0.000 0.000 0.322 420 A C -0.371 177.215 177.584 0.002 0.000 1.187 420 A CA -0.650 51.382 52.037 -0.010 0.000 0.825 420 A CB 0.622 19.614 19.000 -0.014 0.000 1.164 420 A HN 0.703 nan 8.150 nan 0.000 0.498 421 L N 2.898 124.122 121.223 0.002 0.000 2.433 421 L HA 0.140 4.480 4.340 -0.000 0.000 0.275 421 L C -0.282 176.593 176.870 0.008 0.000 1.128 421 L CA -0.255 54.592 54.840 0.011 0.000 0.875 421 L CB -0.392 41.673 42.059 0.011 0.000 1.171 421 L HN 0.802 nan 8.230 nan 0.000 0.463 422 N N 1.779 120.483 118.700 0.007 0.000 2.522 422 N HA -0.143 4.597 4.740 -0.000 0.000 0.281 422 N C -0.198 175.306 175.510 -0.010 0.000 1.267 422 N CA 0.885 53.934 53.050 -0.001 0.000 0.675 422 N CB -0.534 37.959 38.487 0.011 0.000 0.890 422 N HN 0.837 nan 8.380 nan 0.000 0.542 423 A N 0.973 123.777 122.820 -0.028 0.000 2.425 423 A HA 0.128 4.448 4.320 -0.000 0.000 0.242 423 A C 1.492 179.057 177.584 -0.033 0.000 1.077 423 A CA 0.432 52.449 52.037 -0.033 0.000 0.781 423 A CB 0.476 19.448 19.000 -0.047 0.000 1.020 423 A HN 0.643 nan 8.150 nan 0.000 0.494 424 Q N 0.123 119.913 119.800 -0.017 0.000 2.030 424 Q HA -0.250 4.090 4.340 -0.000 0.000 0.204 424 Q C 1.190 177.192 176.000 0.004 0.000 0.986 424 Q CA 2.343 58.148 55.803 0.004 0.000 0.843 424 Q CB -0.255 28.488 28.738 0.009 0.000 0.904 424 Q HN 0.895 nan 8.270 nan 0.000 0.420 425 D N 0.690 121.077 120.400 -0.022 0.000 2.221 425 D HA -0.132 4.508 4.640 -0.000 0.000 0.204 425 D C -0.103 176.081 176.300 -0.192 0.000 0.982 425 D CA 0.855 54.835 54.000 -0.034 0.000 0.857 425 D CB -0.263 40.514 40.800 -0.039 0.000 0.934 425 D HN 0.255 nan 8.370 nan 0.000 0.475 426 D N -2.171 118.068 120.400 -0.269 0.000 2.264 426 D HA 0.148 4.788 4.640 -0.000 0.000 0.249 426 D C 0.317 176.383 176.300 -0.390 0.000 1.070 426 D CA -0.329 53.340 54.000 -0.553 0.000 0.912 426 D CB 0.496 41.104 40.800 -0.320 0.000 1.193 426 D HN 0.091 nan 8.370 nan 0.000 0.427 427 F N 0.018 119.978 119.950 0.017 0.000 2.784 427 F HA 0.259 4.786 4.527 -0.000 0.000 0.316 427 F C 2.065 177.875 175.800 0.017 0.000 1.026 427 F CA -0.482 57.527 58.000 0.015 0.000 1.188 427 F CB -0.541 38.467 39.000 0.013 0.000 0.999 427 F HN 0.318 nan 8.300 nan 0.000 0.605 428 S N 0.775 116.591 115.700 0.193 0.000 2.489 428 S HA 0.001 4.471 4.470 -0.000 0.000 0.228 428 S C 0.997 175.634 174.600 0.062 0.000 0.995 428 S CA 0.470 58.764 58.200 0.156 0.000 0.934 428 S CB -0.929 62.362 63.200 0.152 0.000 0.771 428 S HN 0.422 nan 8.310 nan 0.000 0.522 429 S N 1.733 117.438 115.700 0.009 0.000 2.573 429 S HA 0.019 4.489 4.470 -0.000 0.000 0.297 429 S C 0.061 174.679 174.600 0.030 0.000 1.280 429 S CA -0.137 58.067 58.200 0.006 0.000 1.061 429 S CB 0.044 63.235 63.200 -0.015 0.000 0.812 429 S HN 0.303 nan 8.310 nan 0.000 0.500 430 T N 6.149 120.721 114.554 0.031 0.000 2.751 430 T HA 0.293 4.643 4.350 -0.000 0.000 0.290 430 T C -2.227 172.493 174.700 0.034 0.000 0.919 430 T CA -0.637 61.485 62.100 0.035 0.000 1.136 430 T CB -0.040 68.849 68.868 0.035 0.000 0.875 430 T HN 0.542 nan 8.240 nan 0.000 0.532 431 P HA 0.184 nan 4.420 nan 0.000 0.268 431 P C -0.238 177.084 177.300 0.037 0.000 1.205 431 P CA -0.257 62.864 63.100 0.036 0.000 0.771 431 P CB 0.376 32.099 31.700 0.038 0.000 0.858 432 I N 1.874 122.466 120.570 0.037 0.000 2.352 432 I HA 0.253 4.423 4.170 -0.000 0.000 0.290 432 I C 0.823 176.969 176.117 0.049 0.000 1.036 432 I CA 0.090 61.415 61.300 0.041 0.000 1.336 432 I CB 0.926 38.948 38.000 0.037 0.000 1.407 432 I HN 0.249 nan 8.210 nan 0.000 0.497 433 T N 7.532 122.117 114.554 0.052 0.000 2.876 433 T HA 0.693 5.043 4.350 -0.000 0.000 0.289 433 T C -0.619 174.124 174.700 0.073 0.000 1.014 433 T CA -0.627 61.511 62.100 0.062 0.000 0.986 433 T CB 1.066 69.966 68.868 0.053 0.000 1.021 433 T HN 0.459 nan 8.240 nan 0.000 0.458 434 M N 3.881 123.539 119.600 0.097 0.000 2.602 434 M HA 0.470 4.950 4.480 -0.000 0.000 0.312 434 M C 0.012 176.383 176.300 0.119 0.000 1.181 434 M CA -1.123 54.246 55.300 0.114 0.000 0.910 434 M CB 1.984 34.679 32.600 0.158 0.000 1.723 434 M HN 0.788 nan 8.290 nan 0.000 0.459 435 N N 0.065 118.836 118.700 0.118 0.000 2.405 435 N HA 0.092 4.832 4.740 -0.000 0.000 0.269 435 N C 0.342 175.958 175.510 0.176 0.000 1.249 435 N CA -0.402 52.727 53.050 0.132 0.000 0.974 435 N CB 0.244 38.800 38.487 0.116 0.000 1.204 435 N HN 0.683 nan 8.380 nan 0.000 0.565 436 Y N 0.096 120.433 120.300 0.062 0.000 2.128 436 Y HA -0.212 4.338 4.550 -0.000 0.000 0.284 436 Y C 1.384 177.362 175.900 0.129 0.000 1.154 436 Y CA 2.074 60.213 58.100 0.064 0.000 1.149 436 Y CB -0.386 38.087 38.460 0.022 0.000 0.976 436 Y HN 0.540 nan 8.280 nan 0.000 0.505 437 N N 0.149 118.959 118.700 0.184 0.000 2.106 437 N HA -0.173 4.567 4.740 -0.000 0.000 0.188 437 N C 1.769 177.306 175.510 0.046 0.000 1.029 437 N CA 1.795 54.904 53.050 0.097 0.000 0.848 437 N CB -0.554 38.010 38.487 0.128 0.000 1.007 437 N HN 0.532 nan 8.380 nan 0.000 0.423 438 Q N -0.345 119.501 119.800 0.077 0.000 2.030 438 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 438 Q C 1.836 177.875 176.000 0.064 0.000 0.986 438 Q CA 1.343 57.184 55.803 0.063 0.000 0.843 438 Q CB -0.367 28.418 28.738 0.078 0.000 0.904 438 Q HN 0.376 nan 8.270 nan 0.000 0.420 439 F N 1.323 121.245 119.950 -0.047 0.000 2.120 439 F HA -0.264 4.263 4.527 -0.000 0.000 0.300 439 F C 1.828 177.578 175.800 -0.083 0.000 1.095 439 F CA 1.295 59.269 58.000 -0.044 0.000 1.249 439 F CB -0.067 38.895 39.000 -0.064 0.000 0.995 439 F HN -0.007 nan 8.300 nan 0.000 0.480 440 L N 0.044 121.304 121.223 0.062 0.000 2.012 440 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 440 L C 2.525 179.333 176.870 -0.103 0.000 1.073 440 L CA 2.081 56.892 54.840 -0.049 0.000 0.748 440 L CB -0.944 41.045 42.059 -0.117 0.000 0.891 440 L HN 0.276 nan 8.230 nan 0.000 0.431 441 E N 0.304 120.458 120.200 -0.078 0.000 2.077 441 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 441 E C 2.329 178.855 176.600 -0.123 0.000 0.989 441 E CA 0.851 57.201 56.400 -0.084 0.000 0.800 441 E CB 0.010 29.682 29.700 -0.046 0.000 0.746 441 E HN 0.318 nan 8.360 nan 0.000 0.452 442 L N 1.445 122.582 121.223 -0.143 0.000 2.079 442 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 442 L C 2.145 178.881 176.870 -0.222 0.000 1.081 442 L CA 2.135 56.877 54.840 -0.163 0.000 0.752 442 L CB -0.731 41.213 42.059 -0.191 0.000 0.896 442 L HN 0.308 nan 8.230 nan 0.000 0.433 443 E N -0.332 119.663 120.200 -0.342 0.000 2.158 443 E HA -0.196 4.154 4.350 -0.000 0.000 0.191 443 E C 2.055 178.412 176.600 -0.406 0.000 0.982 443 E CA 0.627 56.732 56.400 -0.491 0.000 0.823 443 E CB 0.140 29.567 29.700 -0.455 0.000 0.766 443 E HN 0.461 nan 8.360 nan 0.000 0.468 444 K N -0.354 119.889 120.400 -0.263 0.000 2.211 444 K HA -0.077 4.243 4.320 -0.000 0.000 0.203 444 K C 2.128 178.606 176.600 -0.204 0.000 1.050 444 K CA 1.647 57.804 56.287 -0.215 0.000 0.945 444 K CB 0.114 32.525 32.500 -0.149 0.000 0.732 444 K HN 0.251 nan 8.250 nan 0.000 0.451 445 T N -2.577 111.869 114.554 -0.180 0.000 3.018 445 T HA 0.089 4.438 4.350 -0.000 0.000 0.246 445 T C 0.503 175.121 174.700 -0.137 0.000 1.026 445 T CA -0.296 61.719 62.100 -0.141 0.000 1.081 445 T CB 0.268 69.077 68.868 -0.098 0.000 0.970 445 T HN -0.092 nan 8.240 nan 0.000 0.475 446 K N 1.343 121.659 120.400 -0.140 0.000 3.035 446 K HA -0.192 4.128 4.320 -0.000 0.000 0.262 446 K C -0.174 176.419 176.600 -0.012 0.000 1.024 446 K CA 0.889 57.139 56.287 -0.063 0.000 0.748 446 K CB -2.043 30.403 32.500 -0.090 0.000 1.247 446 K HN 0.873 nan 8.250 nan 0.000 0.482 447 Q N -0.232 119.554 119.800 -0.022 0.000 2.295 447 Q HA 0.596 4.936 4.340 -0.000 0.000 0.268 447 Q C -1.194 174.801 176.000 -0.010 0.000 1.010 447 Q CA -0.751 55.044 55.803 -0.013 0.000 0.856 447 Q CB 1.509 30.228 28.738 -0.031 0.000 1.349 447 Q HN 0.189 nan 8.270 nan 0.000 0.412 448 L N 1.906 123.130 121.223 0.002 0.000 2.293 448 L HA 0.770 5.110 4.340 -0.000 0.000 0.264 448 L C -0.567 176.305 176.870 0.004 0.000 1.029 448 L CA -1.193 53.649 54.840 0.003 0.000 0.897 448 L CB 2.120 44.185 42.059 0.010 0.000 1.497 448 L HN 0.671 nan 8.230 nan 0.000 0.495 449 R N 0.665 121.170 120.500 0.008 0.000 2.535 449 R HA 0.468 4.808 4.340 -0.000 0.000 0.274 449 R C -2.145 174.166 176.300 0.018 0.000 1.090 449 R CA -0.650 55.456 56.100 0.010 0.000 0.930 449 R CB 1.349 31.652 30.300 0.006 0.000 1.223 449 R HN 0.287 nan 8.270 nan 0.000 0.441 450 L N 3.836 125.075 121.223 0.026 0.000 2.272 450 L HA 0.421 4.761 4.340 -0.000 0.000 0.289 450 L C -0.713 176.185 176.870 0.048 0.000 1.032 450 L CA -0.312 54.550 54.840 0.037 0.000 0.810 450 L CB 1.455 43.539 42.059 0.042 0.000 1.205 450 L HN 0.665 nan 8.230 nan 0.000 0.422 451 D N 2.499 122.929 120.400 0.050 0.000 2.454 451 D HA 0.264 4.904 4.640 -0.000 0.000 0.225 451 D C -0.040 176.307 176.300 0.077 0.000 1.081 451 D CA -0.062 53.972 54.000 0.056 0.000 0.864 451 D CB 1.487 42.312 40.800 0.041 0.000 1.040 451 D HN 0.351 nan 8.370 nan 0.000 0.517 452 T N 1.972 116.587 114.554 0.103 0.000 2.767 452 T HA 0.247 4.597 4.350 -0.000 0.000 0.284 452 T C 0.434 175.209 174.700 0.124 0.000 0.973 452 T CA -0.864 61.319 62.100 0.137 0.000 0.996 452 T CB 1.313 70.295 68.868 0.190 0.000 0.927 452 T HN 0.319 nan 8.240 nan 0.000 0.456 453 D N 2.475 122.934 120.400 0.099 0.000 2.376 453 D HA 0.054 4.694 4.640 -0.000 0.000 0.268 453 D C 0.377 176.664 176.300 -0.021 0.000 1.252 453 D CA -0.348 53.673 54.000 0.036 0.000 1.041 453 D CB 0.532 41.338 40.800 0.010 0.000 1.109 453 D HN 0.443 nan 8.370 nan 0.000 0.552 454 Q N -0.788 118.884 119.800 -0.213 0.000 2.155 454 Q HA 0.243 4.583 4.340 -0.000 0.000 0.273 454 Q C -0.658 174.840 176.000 -0.837 0.000 0.857 454 Q CA -0.365 54.998 55.803 -0.734 0.000 1.116 454 Q CB 1.139 29.575 28.738 -0.505 0.000 1.209 454 Q HN 0.428 nan 8.270 nan 0.000 0.460 455 V N -0.941 118.754 119.914 -0.365 0.000 2.326 455 V HA 0.162 4.282 4.120 -0.000 0.000 0.249 455 V C -0.066 176.063 176.094 0.059 0.000 1.114 455 V CA -0.164 62.054 62.300 -0.137 0.000 1.028 455 V CB -0.638 31.175 31.823 -0.017 0.000 1.170 455 V HN 0.235 nan 8.190 nan 0.000 0.494 456 Y N 3.952 124.309 120.300 0.094 0.000 2.458 456 Y HA 0.593 5.143 4.550 -0.000 0.000 0.256 456 Y C 1.661 177.704 175.900 0.238 0.000 1.159 456 Y CA -0.464 57.684 58.100 0.081 0.000 1.261 456 Y CB -0.194 38.200 38.460 -0.110 0.000 1.119 456 Y HN 1.016 nan 8.280 nan 0.000 0.524 457 G N 0.846 109.859 108.800 0.354 0.000 2.542 457 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.235 457 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.235 457 G C -0.268 174.804 174.900 0.288 0.000 1.286 457 G CA -0.495 44.766 45.100 0.267 0.000 0.904 457 G HN 0.215 nan 8.290 nan 0.000 0.577 458 N N -0.232 118.574 118.700 0.176 0.000 2.434 458 N HA 0.613 5.353 4.740 -0.000 0.000 0.266 458 N C 0.222 175.747 175.510 0.025 0.000 1.223 458 N CA -0.161 52.917 53.050 0.046 0.000 0.972 458 N CB 0.714 39.204 38.487 0.006 0.000 1.207 458 N HN 0.580 nan 8.380 nan 0.000 0.525 459 I N 0.571 121.034 120.570 -0.180 0.000 2.377 459 I HA 0.336 4.506 4.170 -0.000 0.000 0.293 459 I C 0.247 176.289 176.117 -0.124 0.000 0.987 459 I CA -1.070 60.087 61.300 -0.238 0.000 1.185 459 I CB 1.594 39.202 38.000 -0.654 0.000 1.341 459 I HN 0.386 nan 8.210 nan 0.000 0.455 460 A N 4.489 127.276 122.820 -0.055 0.000 2.396 460 A HA 0.441 4.761 4.320 -0.000 0.000 0.279 460 A C 0.096 177.693 177.584 0.022 0.000 1.165 460 A CA 0.062 52.008 52.037 -0.150 0.000 0.824 460 A CB 0.212 18.962 19.000 -0.417 0.000 1.100 460 A HN 0.703 nan 8.150 nan 0.000 0.516 461 T N 1.606 116.164 114.554 0.005 0.000 2.940 461 T HA 0.503 4.853 4.350 -0.000 0.000 0.288 461 T C -0.770 174.009 174.700 0.132 0.000 1.033 461 T CA -0.339 61.822 62.100 0.101 0.000 1.033 461 T CB 0.542 69.447 68.868 0.061 0.000 1.079 461 T HN 0.499 nan 8.240 nan 0.000 0.496 462 Y N 3.955 124.300 120.300 0.074 0.000 2.304 462 Y HA 0.496 5.046 4.550 -0.000 0.000 0.328 462 Y C 0.081 175.981 175.900 -0.001 0.000 1.123 462 Y CA -0.681 57.411 58.100 -0.014 0.000 1.218 462 Y CB 0.710 39.114 38.460 -0.095 0.000 1.207 462 Y HN 0.620 nan 8.280 nan 0.000 0.495 463 N N 5.268 123.590 118.700 -0.630 0.000 2.444 463 N HA 0.146 4.886 4.740 -0.000 0.000 0.262 463 N C -0.474 174.732 175.510 -0.506 0.000 0.974 463 N CA -0.400 52.447 53.050 -0.338 0.000 0.933 463 N CB 0.194 38.553 38.487 -0.213 0.000 1.137 463 N HN 0.685 nan 8.380 nan 0.000 0.498 464 F N 1.160 121.024 119.950 -0.144 0.000 2.502 464 F HA 0.041 4.568 4.527 -0.000 0.000 0.298 464 F C 2.046 177.833 175.800 -0.022 0.000 1.111 464 F CA 0.457 58.470 58.000 0.022 0.000 1.445 464 F CB 0.277 39.362 39.000 0.142 0.000 1.081 464 F HN 0.577 nan 8.300 nan 0.000 0.558 465 E N 0.684 120.935 120.200 0.085 0.000 2.031 465 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 465 E C 1.135 177.734 176.600 -0.001 0.000 0.994 465 E CA 1.505 57.929 56.400 0.040 0.000 0.800 465 E CB -0.108 29.598 29.700 0.011 0.000 0.752 465 E HN 0.441 nan 8.360 nan 0.000 0.447 466 N N -2.028 116.630 118.700 -0.070 0.000 2.167 466 N HA 0.083 4.823 4.740 -0.000 0.000 0.234 466 N C 0.742 176.174 175.510 -0.130 0.000 1.312 466 N CA 0.662 53.670 53.050 -0.069 0.000 0.861 466 N CB 0.846 39.300 38.487 -0.056 0.000 1.217 466 N HN 0.173 nan 8.380 nan 0.000 0.504 467 G N 1.055 109.685 108.800 -0.283 0.000 2.166 467 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.260 467 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.260 467 G C 0.125 174.759 174.900 -0.443 0.000 0.986 467 G CA 0.463 45.291 45.100 -0.453 0.000 0.683 467 G HN 0.653 nan 8.290 nan 0.000 0.527 468 R N -0.157 120.132 120.500 -0.351 0.000 2.590 468 R HA 0.482 4.822 4.340 -0.000 0.000 0.274 468 R C 0.148 176.307 176.300 -0.236 0.000 1.061 468 R CA -0.009 55.962 56.100 -0.215 0.000 1.081 468 R CB 0.760 30.974 30.300 -0.143 0.000 0.984 468 R HN 0.242 nan 8.270 nan 0.000 0.448 469 V N 6.726 126.573 119.914 -0.112 0.000 2.257 469 V HA 0.410 4.529 4.120 -0.000 0.000 0.269 469 V C 0.090 176.129 176.094 -0.091 0.000 1.040 469 V CA -0.477 61.786 62.300 -0.061 0.000 0.813 469 V CB 0.506 32.345 31.823 0.027 0.000 1.065 469 V HN 0.703 nan 8.190 nan 0.000 0.457 470 R N 2.578 123.017 120.500 -0.101 0.000 2.720 470 R HA 0.662 5.002 4.340 -0.000 0.000 0.272 470 R C -0.810 175.403 176.300 -0.145 0.000 0.991 470 R CA -0.999 55.029 56.100 -0.120 0.000 1.010 470 R CB 2.191 32.438 30.300 -0.087 0.000 1.141 470 R HN 0.338 nan 8.270 nan 0.000 0.494 471 V N 2.359 122.167 119.914 -0.178 0.000 2.450 471 V HA -0.067 4.053 4.120 -0.000 0.000 0.281 471 V C 0.217 176.252 176.094 -0.099 0.000 1.019 471 V CA 0.322 62.524 62.300 -0.164 0.000 1.062 471 V CB 0.413 32.150 31.823 -0.143 0.000 0.979 471 V HN 0.587 nan 8.190 nan 0.000 0.477 472 D N 4.415 124.757 120.400 -0.096 0.000 2.336 472 D HA 0.059 4.699 4.640 -0.000 0.000 0.249 472 D C 1.469 177.722 176.300 -0.078 0.000 1.213 472 D CA 0.148 54.099 54.000 -0.081 0.000 0.870 472 D CB 1.597 42.345 40.800 -0.088 0.000 1.076 472 D HN 0.723 nan 8.370 nan 0.000 0.483 473 T N 0.281 114.800 114.554 -0.059 0.000 3.007 473 T HA -0.002 4.348 4.350 -0.000 0.000 0.270 473 T C 1.587 176.254 174.700 -0.054 0.000 1.107 473 T CA 0.578 62.650 62.100 -0.046 0.000 1.118 473 T CB 0.055 68.903 68.868 -0.034 0.000 0.889 473 T HN 0.340 nan 8.240 nan 0.000 0.506 474 G N 0.102 108.862 108.800 -0.068 0.000 3.189 474 G HA2 0.335 4.295 3.960 -0.000 0.000 0.225 474 G HA3 0.335 4.295 3.960 -0.000 0.000 0.225 474 G C 0.179 175.018 174.900 -0.102 0.000 1.159 474 G CA -0.282 44.772 45.100 -0.077 0.000 0.763 474 G HN 0.520 nan 8.290 nan 0.000 0.549 475 S N 0.404 116.032 115.700 -0.120 0.000 2.659 475 S HA 0.545 5.015 4.470 -0.000 0.000 0.312 475 S C -1.263 173.222 174.600 -0.192 0.000 1.114 475 S CA -0.840 57.256 58.200 -0.173 0.000 1.063 475 S CB 1.124 64.198 63.200 -0.210 0.000 0.996 475 S HN 0.209 nan 8.310 nan 0.000 0.478 476 N N 3.276 121.871 118.700 -0.176 0.000 2.258 476 N HA 0.299 5.039 4.740 -0.000 0.000 0.299 476 N C 0.274 175.729 175.510 -0.091 0.000 1.047 476 N CA -0.711 52.271 53.050 -0.114 0.000 0.814 476 N CB 1.022 39.495 38.487 -0.022 0.000 1.413 476 N HN 0.755 nan 8.380 nan 0.000 0.478 477 W N 1.277 122.612 121.300 0.057 0.000 2.364 477 W HA -0.176 4.484 4.660 -0.000 0.000 0.281 477 W C 2.372 178.903 176.519 0.020 0.000 1.219 477 W CA 1.174 58.566 57.345 0.079 0.000 1.220 477 W CB 0.063 29.631 29.460 0.180 0.000 1.127 477 W HN 0.679 nan 8.180 nan 0.000 0.556 478 S N 0.553 116.372 115.700 0.198 0.000 2.419 478 S HA -0.249 4.221 4.470 -0.000 0.000 0.233 478 S C 1.508 176.142 174.600 0.057 0.000 1.016 478 S CA 1.521 59.773 58.200 0.086 0.000 0.974 478 S CB -0.684 62.542 63.200 0.044 0.000 0.786 478 S HN 0.618 nan 8.310 nan 0.000 0.492 479 E N 0.246 120.473 120.200 0.043 0.000 2.472 479 E HA 0.208 4.558 4.350 -0.000 0.000 0.196 479 E C 1.567 178.179 176.600 0.020 0.000 1.033 479 E CA 0.371 56.778 56.400 0.012 0.000 0.886 479 E CB 0.207 29.895 29.700 -0.019 0.000 0.944 479 E HN 0.440 nan 8.360 nan 0.000 0.492 480 V N 0.383 120.334 119.914 0.061 0.000 3.307 480 V HA 0.083 4.203 4.120 -0.000 0.000 0.244 480 V C 1.889 178.051 176.094 0.114 0.000 1.196 480 V CA 0.148 62.495 62.300 0.078 0.000 1.132 480 V CB 0.058 31.918 31.823 0.061 0.000 0.875 480 V HN 0.238 nan 8.190 nan 0.000 0.468 481 L N 1.667 122.985 121.223 0.158 0.000 1.990 481 L HA -0.072 4.268 4.340 -0.000 0.000 0.213 481 L C -0.095 176.777 176.870 0.003 0.000 1.072 481 L CA 2.301 57.193 54.840 0.087 0.000 0.755 481 L CB -1.789 40.323 42.059 0.088 0.000 0.889 481 L HN 0.361 nan 8.230 nan 0.000 0.432 482 P HA -0.155 nan 4.420 nan 0.000 0.228 482 P C 1.121 178.418 177.300 -0.005 0.000 1.151 482 P CA 1.136 64.234 63.100 -0.005 0.000 0.770 482 P CB 0.034 31.735 31.700 0.001 0.000 0.786 483 Q N -0.488 119.315 119.800 0.005 0.000 2.204 483 Q HA 0.079 4.418 4.340 -0.000 0.000 0.198 483 Q C 2.449 178.449 176.000 0.000 0.000 0.946 483 Q CA 0.696 56.505 55.803 0.009 0.000 0.859 483 Q CB -0.603 28.149 28.738 0.024 0.000 0.946 483 Q HN 0.366 nan 8.270 nan 0.000 0.474 484 I N 1.266 121.827 120.570 -0.015 0.000 2.163 484 I HA -0.314 3.856 4.170 -0.000 0.000 0.243 484 I C 2.179 178.249 176.117 -0.078 0.000 1.085 484 I CA 1.362 62.629 61.300 -0.055 0.000 1.347 484 I CB -0.284 37.626 38.000 -0.150 0.000 1.044 484 I HN 0.239 nan 8.210 nan 0.000 0.408 485 Q N 0.224 119.971 119.800 -0.089 0.000 2.364 485 Q HA -0.146 4.194 4.340 -0.000 0.000 0.207 485 Q C 1.432 177.416 176.000 -0.027 0.000 0.970 485 Q CA 0.809 56.572 55.803 -0.068 0.000 0.888 485 Q CB 0.053 28.757 28.738 -0.057 0.000 0.951 485 Q HN 0.486 nan 8.270 nan 0.000 0.469 486 E N -0.413 119.776 120.200 -0.018 0.000 2.476 486 E HA -0.002 4.348 4.350 -0.000 0.000 0.199 486 E C 1.404 178.003 176.600 -0.002 0.000 1.021 486 E CA 0.837 57.233 56.400 -0.006 0.000 0.907 486 E CB 0.871 30.569 29.700 -0.003 0.000 0.974 486 E HN 0.391 nan 8.360 nan 0.000 0.489 487 T N -2.132 112.421 114.554 -0.002 0.000 3.043 487 T HA 0.084 4.434 4.350 -0.000 0.000 0.272 487 T C 0.845 175.549 174.700 0.007 0.000 0.990 487 T CA -0.065 62.039 62.100 0.006 0.000 0.897 487 T CB 0.210 69.088 68.868 0.017 0.000 1.111 487 T HN 0.019 nan 8.240 nan 0.000 0.529 488 T N 0.171 114.725 114.554 0.000 0.000 2.912 488 T HA 0.819 5.169 4.350 -0.000 0.000 0.288 488 T C -0.271 174.433 174.700 0.006 0.000 1.030 488 T CA -0.726 61.377 62.100 0.005 0.000 1.020 488 T CB 1.785 70.656 68.868 0.004 0.000 1.056 488 T HN 0.379 nan 8.240 nan 0.000 0.480 489 A N 2.162 124.988 122.820 0.009 0.000 2.301 489 A HA 0.660 4.980 4.320 -0.000 0.000 0.298 489 A C 0.317 177.922 177.584 0.036 0.000 1.185 489 A CA -0.872 51.172 52.037 0.012 0.000 0.830 489 A CB 0.359 19.355 19.000 -0.005 0.000 1.112 489 A HN 0.938 nan 8.150 nan 0.000 0.508 490 R N 2.763 123.293 120.500 0.050 0.000 2.294 490 R HA 0.619 4.959 4.340 -0.000 0.000 0.319 490 R C -1.339 175.015 176.300 0.090 0.000 0.984 490 R CA -0.323 55.823 56.100 0.078 0.000 0.861 490 R CB 0.489 30.837 30.300 0.079 0.000 1.104 490 R HN 0.698 nan 8.270 nan 0.000 0.451 491 I N 6.550 127.206 120.570 0.143 0.000 2.436 491 I HA 0.347 4.517 4.170 -0.000 0.000 0.289 491 I C -0.304 175.952 176.117 0.230 0.000 1.010 491 I CA -0.820 60.587 61.300 0.178 0.000 1.098 491 I CB 1.947 40.118 38.000 0.284 0.000 1.266 491 I HN 0.518 nan 8.210 nan 0.000 0.434 492 I N 5.974 126.556 120.570 0.019 0.000 2.441 492 I HA 0.419 4.589 4.170 -0.000 0.000 0.295 492 I C -1.114 174.907 176.117 -0.160 0.000 0.994 492 I CA -0.675 60.596 61.300 -0.048 0.000 1.144 492 I CB 1.972 39.824 38.000 -0.247 0.000 1.314 492 I HN 0.406 nan 8.210 nan 0.000 0.445 493 F N 6.930 126.621 119.950 -0.431 0.000 2.671 493 F HA 0.330 4.857 4.527 -0.000 0.000 0.332 493 F C -0.064 175.493 175.800 -0.404 0.000 1.189 493 F CA -1.055 56.555 58.000 -0.650 0.000 0.988 493 F CB 1.091 39.245 39.000 -1.410 0.000 1.258 493 F HN 0.507 nan 8.300 nan 0.000 0.471 494 N N 3.084 121.309 118.700 -0.791 0.000 2.378 494 N HA 0.169 4.909 4.740 -0.000 0.000 0.243 494 N C 1.059 176.099 175.510 -0.784 0.000 1.137 494 N CA 0.305 52.985 53.050 -0.617 0.000 0.862 494 N CB 0.278 38.554 38.487 -0.353 0.000 1.116 494 N HN 0.746 nan 8.380 nan 0.000 0.499 495 G N 0.361 108.107 108.800 -1.757 0.000 2.551 495 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.216 495 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.216 495 G C 1.358 176.059 174.900 -0.331 0.000 1.137 495 G CA 0.046 44.404 45.100 -1.237 0.000 0.798 495 G HN 0.436 nan 8.290 nan 0.000 0.536 496 K N 0.716 120.948 120.400 -0.280 0.000 2.167 496 K HA -0.046 4.274 4.320 -0.000 0.000 0.203 496 K C 0.332 176.968 176.600 0.059 0.000 1.052 496 K CA 1.569 57.927 56.287 0.118 0.000 0.956 496 K CB 0.284 32.871 32.500 0.145 0.000 0.735 496 K HN 0.374 nan 8.250 nan 0.000 0.451 497 D N -1.204 119.174 120.400 -0.038 0.000 3.710 497 D HA -0.019 4.621 4.640 -0.000 0.000 0.274 497 D C -0.021 176.227 176.300 -0.086 0.000 1.572 497 D CA -0.313 53.671 54.000 -0.027 0.000 0.782 497 D CB -0.686 40.117 40.800 0.004 0.000 1.393 497 D HN 0.033 nan 8.370 nan 0.000 0.671 498 L N -0.378 120.760 121.223 -0.141 0.000 4.625 498 L HA -0.233 4.107 4.340 -0.000 0.000 0.428 498 L C -0.664 176.120 176.870 -0.143 0.000 1.129 498 L CA 0.621 55.354 54.840 -0.178 0.000 0.978 498 L CB -1.952 39.946 42.059 -0.268 0.000 2.043 498 L HN 0.346 nan 8.230 nan 0.000 0.847 499 N N 0.261 118.885 118.700 -0.128 0.000 2.438 499 N HA 0.503 5.243 4.740 -0.000 0.000 0.282 499 N C 0.048 175.482 175.510 -0.126 0.000 1.037 499 N CA -0.454 52.539 53.050 -0.096 0.000 0.942 499 N CB 1.134 39.595 38.487 -0.043 0.000 1.136 499 N HN 0.169 nan 8.380 nan 0.000 0.481 500 L N 1.957 123.111 121.223 -0.115 0.000 2.500 500 L HA 0.125 4.465 4.340 -0.000 0.000 0.272 500 L C -0.118 176.718 176.870 -0.057 0.000 1.149 500 L CA -0.121 54.649 54.840 -0.116 0.000 0.897 500 L CB 0.073 42.072 42.059 -0.100 0.000 1.178 500 L HN 0.066 nan 8.230 nan 0.000 0.473 501 V N 4.063 123.968 119.914 -0.014 0.000 2.378 501 V HA 0.212 4.331 4.120 -0.000 0.000 0.288 501 V C 0.178 176.397 176.094 0.207 0.000 1.016 501 V CA -0.620 61.742 62.300 0.105 0.000 0.840 501 V CB 1.684 33.625 31.823 0.197 0.000 0.994 501 V HN 0.731 nan 8.190 nan 0.000 0.431 502 E N 5.019 125.290 120.200 0.118 0.000 2.227 502 E HA 0.642 4.992 4.350 -0.000 0.000 0.282 502 E C -0.674 175.990 176.600 0.107 0.000 1.015 502 E CA -0.747 55.733 56.400 0.133 0.000 0.823 502 E CB 1.102 30.854 29.700 0.087 0.000 1.081 502 E HN 0.498 nan 8.360 nan 0.000 0.396 503 R N 2.246 122.831 120.500 0.143 0.000 2.771 503 R HA 0.508 4.848 4.340 -0.000 0.000 0.274 503 R C -1.104 175.249 176.300 0.089 0.000 0.987 503 R CA -0.683 55.402 56.100 -0.025 0.000 0.908 503 R CB 1.765 31.767 30.300 -0.497 0.000 1.213 503 R HN 0.529 nan 8.270 nan 0.000 0.468 504 R N 1.952 122.522 120.500 0.118 0.000 2.561 504 R HA 0.575 4.915 4.340 -0.000 0.000 0.297 504 R C -0.773 175.561 176.300 0.056 0.000 0.969 504 R CA -0.877 55.290 56.100 0.112 0.000 0.879 504 R CB 1.740 32.126 30.300 0.144 0.000 1.178 504 R HN 0.353 nan 8.270 nan 0.000 0.445 505 I N 1.577 122.164 120.570 0.027 0.000 2.530 505 I HA 0.325 4.495 4.170 -0.000 0.000 0.297 505 I C 0.148 176.276 176.117 0.019 0.000 1.011 505 I CA -0.524 60.781 61.300 0.008 0.000 1.107 505 I CB 2.045 40.031 38.000 -0.025 0.000 1.285 505 I HN 0.640 nan 8.210 nan 0.000 0.436 506 A N 4.756 127.595 122.820 0.031 0.000 2.476 506 A HA 0.665 4.985 4.320 -0.000 0.000 0.275 506 A C 0.151 177.745 177.584 0.017 0.000 1.133 506 A CA 0.037 52.094 52.037 0.034 0.000 0.797 506 A CB -0.609 18.423 19.000 0.053 0.000 1.081 506 A HN 0.825 nan 8.150 nan 0.000 0.510 507 A N 3.096 125.921 122.820 0.008 0.000 2.355 507 A HA 0.649 4.969 4.320 -0.000 0.000 0.324 507 A C -0.047 177.536 177.584 -0.002 0.000 1.117 507 A CA -0.546 51.489 52.037 -0.004 0.000 0.785 507 A CB 0.986 19.976 19.000 -0.015 0.000 1.254 507 A HN 0.912 nan 8.150 nan 0.000 0.453 508 V N 2.368 122.278 119.914 -0.006 0.000 2.740 508 V HA 0.064 4.184 4.120 -0.000 0.000 0.303 508 V C 0.349 176.438 176.094 -0.008 0.000 1.054 508 V CA -0.002 62.295 62.300 -0.004 0.000 1.106 508 V CB 0.900 32.719 31.823 -0.007 0.000 0.957 508 V HN 0.858 nan 8.190 nan 0.000 0.486 509 N N 5.899 124.597 118.700 -0.004 0.000 2.564 509 N HA 0.355 5.095 4.740 -0.000 0.000 0.248 509 N C -1.949 173.558 175.510 -0.005 0.000 0.986 509 N CA -2.168 50.878 53.050 -0.006 0.000 0.921 509 N CB 2.090 40.576 38.487 -0.002 0.000 1.136 509 N HN 0.182 nan 8.380 nan 0.000 0.509 510 P HA -0.157 nan 4.420 nan 0.000 0.216 510 P C 1.146 178.443 177.300 -0.005 0.000 1.150 510 P CA 1.414 64.510 63.100 -0.008 0.000 0.843 510 P CB 0.239 31.932 31.700 -0.012 0.000 0.787 511 S N -2.738 112.959 115.700 -0.005 0.000 2.489 511 S HA -0.046 4.424 4.470 -0.000 0.000 0.228 511 S C 0.865 175.464 174.600 -0.001 0.000 0.995 511 S CA 0.332 58.530 58.200 -0.003 0.000 0.934 511 S CB -0.643 62.554 63.200 -0.004 0.000 0.771 511 S HN 0.019 nan 8.310 nan 0.000 0.522 512 D N 2.066 122.466 120.400 0.000 0.000 2.441 512 D HA 0.386 5.026 4.640 -0.000 0.000 0.231 512 D C -2.054 174.249 176.300 0.005 0.000 1.073 512 D CA -2.398 51.603 54.000 0.003 0.000 0.850 512 D CB 1.938 42.740 40.800 0.004 0.000 1.062 512 D HN -0.059 nan 8.370 nan 0.000 0.524 513 P HA -0.171 nan 4.420 nan 0.000 0.214 513 P C 1.925 179.232 177.300 0.011 0.000 1.169 513 P CA 0.658 63.762 63.100 0.007 0.000 0.908 513 P CB 0.363 32.067 31.700 0.006 0.000 0.791 514 L N -0.700 120.531 121.223 0.012 0.000 2.089 514 L HA -0.240 4.100 4.340 -0.000 0.000 0.213 514 L C 2.142 179.024 176.870 0.021 0.000 1.079 514 L CA 1.805 56.655 54.840 0.018 0.000 0.758 514 L CB -0.458 41.613 42.059 0.019 0.000 0.891 514 L HN 0.032 nan 8.230 nan 0.000 0.433 515 E N -1.029 119.181 120.200 0.016 0.000 2.170 515 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 515 E C 1.988 178.596 176.600 0.014 0.000 0.981 515 E CA 1.437 57.847 56.400 0.016 0.000 0.830 515 E CB -0.397 29.310 29.700 0.012 0.000 0.775 515 E HN 0.551 nan 8.360 nan 0.000 0.470 516 T N -1.670 112.890 114.554 0.010 0.000 3.163 516 T HA 0.003 4.353 4.350 -0.000 0.000 0.260 516 T C 1.633 176.340 174.700 0.012 0.000 1.156 516 T CA 1.139 63.243 62.100 0.007 0.000 1.072 516 T CB -0.158 68.713 68.868 0.004 0.000 0.937 516 T HN -0.107 nan 8.240 nan 0.000 0.528 517 T N 0.737 115.301 114.554 0.017 0.000 3.107 517 T HA 0.231 4.581 4.350 -0.000 0.000 0.249 517 T C 0.617 175.334 174.700 0.027 0.000 1.096 517 T CA -0.178 61.935 62.100 0.022 0.000 1.012 517 T CB -0.162 68.720 68.868 0.024 0.000 0.977 517 T HN 0.490 nan 8.240 nan 0.000 0.527 518 K N 2.080 122.496 120.400 0.026 0.000 2.138 518 K HA 0.308 4.628 4.320 -0.000 0.000 0.251 518 K C -2.590 174.026 176.600 0.026 0.000 1.015 518 K CA -1.706 54.600 56.287 0.031 0.000 0.917 518 K CB 0.213 32.730 32.500 0.029 0.000 1.021 518 K HN 0.045 nan 8.250 nan 0.000 0.485 519 P HA -0.013 nan 4.420 nan 0.000 0.269 519 P C -1.041 176.262 177.300 0.006 0.000 1.209 519 P CA 0.008 63.121 63.100 0.021 0.000 0.776 519 P CB 0.402 32.120 31.700 0.030 0.000 0.876 520 D N 1.934 122.331 120.400 -0.006 0.000 2.424 520 D HA 0.187 4.827 4.640 -0.000 0.000 0.244 520 D C -0.036 176.249 176.300 -0.025 0.000 1.134 520 D CA 0.568 54.558 54.000 -0.017 0.000 0.881 520 D CB 0.355 41.142 40.800 -0.021 0.000 1.191 520 D HN 0.172 nan 8.370 nan 0.000 0.445 521 M N 2.075 121.656 119.600 -0.031 0.000 2.253 521 M HA 0.218 4.698 4.480 -0.000 0.000 0.314 521 M C -0.602 175.665 176.300 -0.055 0.000 1.019 521 M CA -0.501 54.774 55.300 -0.041 0.000 0.932 521 M CB 1.628 34.207 32.600 -0.035 0.000 1.606 521 M HN 0.297 nan 8.290 nan 0.000 0.430 522 T N 1.556 116.071 114.554 -0.064 0.000 2.944 522 T HA 0.435 4.785 4.350 -0.000 0.000 0.284 522 T C 1.036 175.686 174.700 -0.084 0.000 1.010 522 T CA -0.972 61.083 62.100 -0.074 0.000 1.025 522 T CB 0.969 69.794 68.868 -0.071 0.000 1.079 522 T HN 0.802 nan 8.240 nan 0.000 0.516 523 L N 0.590 121.755 121.223 -0.097 0.000 2.046 523 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 523 L C 2.947 179.750 176.870 -0.112 0.000 1.077 523 L CA 1.681 56.462 54.840 -0.100 0.000 0.747 523 L CB -0.411 41.574 42.059 -0.123 0.000 0.896 523 L HN 0.898 nan 8.230 nan 0.000 0.432 524 K N -0.046 120.290 120.400 -0.107 0.000 2.032 524 K HA -0.299 4.021 4.320 -0.000 0.000 0.209 524 K C 1.968 178.506 176.600 -0.105 0.000 1.048 524 K CA 2.032 58.255 56.287 -0.107 0.000 0.927 524 K CB -0.051 32.409 32.500 -0.068 0.000 0.712 524 K HN 0.150 nan 8.250 nan 0.000 0.441 525 E N 0.571 120.717 120.200 -0.089 0.000 2.038 525 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 525 E C 1.730 178.265 176.600 -0.107 0.000 1.000 525 E CA 1.760 58.105 56.400 -0.092 0.000 0.803 525 E CB -0.401 29.245 29.700 -0.089 0.000 0.750 525 E HN 0.408 nan 8.360 nan 0.000 0.448 526 A N 0.604 123.363 122.820 -0.102 0.000 1.892 526 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 526 A C 2.370 179.909 177.584 -0.076 0.000 1.188 526 A CA 1.876 53.857 52.037 -0.093 0.000 0.631 526 A CB -0.972 17.992 19.000 -0.060 0.000 0.822 526 A HN 0.359 nan 8.150 nan 0.000 0.447 527 L N -0.973 120.179 121.223 -0.119 0.000 2.046 527 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 527 L C 2.647 179.542 176.870 0.041 0.000 1.077 527 L CA 1.843 56.575 54.840 -0.180 0.000 0.747 527 L CB -0.533 41.087 42.059 -0.731 0.000 0.896 527 L HN 0.383 nan 8.230 nan 0.000 0.432 528 K N 0.531 120.937 120.400 0.009 0.000 1.991 528 K HA -0.188 4.132 4.320 -0.000 0.000 0.212 528 K C 2.076 178.693 176.600 0.028 0.000 1.049 528 K CA 2.036 58.370 56.287 0.078 0.000 0.932 528 K CB -0.332 32.176 32.500 0.013 0.000 0.717 528 K HN 0.416 nan 8.250 nan 0.000 0.441 529 I N -2.435 118.083 120.570 -0.087 0.000 2.617 529 I HA -0.035 4.135 4.170 -0.000 0.000 0.256 529 I C 2.133 178.151 176.117 -0.166 0.000 1.167 529 I CA 1.180 62.372 61.300 -0.181 0.000 1.469 529 I CB -0.198 37.529 38.000 -0.454 0.000 1.098 529 I HN -0.052 nan 8.210 nan 0.000 0.436 530 A N 1.079 123.796 122.820 -0.171 0.000 1.901 530 A HA 0.210 4.530 4.320 -0.000 0.000 0.210 530 A C 1.574 178.890 177.584 -0.447 0.000 1.208 530 A CA 0.724 52.547 52.037 -0.355 0.000 0.644 530 A CB -0.682 18.032 19.000 -0.478 0.000 0.863 530 A HN 0.455 nan 8.150 nan 0.000 0.454 531 F N -0.556 119.417 119.950 0.038 0.000 2.653 531 F HA 0.402 4.929 4.527 -0.000 0.000 0.304 531 F C 1.601 177.522 175.800 0.201 0.000 1.092 531 F CA 0.324 58.378 58.000 0.090 0.000 1.279 531 F CB 0.477 39.451 39.000 -0.043 0.000 1.044 531 F HN 0.343 nan 8.300 nan 0.000 0.564 532 G N 0.622 109.599 108.800 0.294 0.000 2.176 532 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.252 532 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.252 532 G C 0.301 175.352 174.900 0.252 0.000 1.024 532 G CA -0.366 44.869 45.100 0.226 0.000 0.755 532 G HN 0.253 nan 8.290 nan 0.000 0.507 533 F N 1.041 121.082 119.950 0.152 0.000 2.527 533 F HA 0.419 4.946 4.527 0.000 0.000 0.316 533 F C 1.196 177.038 175.800 0.070 0.000 1.258 533 F CA 1.016 59.095 58.000 0.131 0.000 1.314 533 F CB 0.531 39.555 39.000 0.040 0.000 1.200 533 F HN 0.514 nan 8.300 nan 0.000 0.577 534 N N -0.530 118.327 118.700 0.261 0.000 2.935 534 N HA 0.138 4.878 4.740 -0.000 0.000 0.248 534 N C -2.225 173.369 175.510 0.141 0.000 1.276 534 N CA -1.050 52.089 53.050 0.149 0.000 0.906 534 N CB 1.335 39.870 38.487 0.080 0.000 1.564 534 N HN 0.621 nan 8.380 nan 0.000 0.500 535 E N 0.162 120.422 120.200 0.101 0.000 2.256 535 E HA 0.401 4.751 4.350 -0.000 0.000 0.243 535 E C -2.163 174.475 176.600 0.063 0.000 0.925 535 E CA -1.637 54.817 56.400 0.089 0.000 0.748 535 E CB 1.491 31.239 29.700 0.080 0.000 1.206 535 E HN 0.288 nan 8.360 nan 0.000 0.428 536 P HA -0.117 nan 4.420 nan 0.000 0.215 536 P C 0.318 177.642 177.300 0.039 0.000 1.157 536 P CA 0.953 64.079 63.100 0.043 0.000 0.863 536 P CB 0.240 31.962 31.700 0.038 0.000 0.787 537 N N -1.934 116.792 118.700 0.044 0.000 2.642 537 N HA 0.316 5.056 4.740 -0.000 0.000 0.308 537 N C 0.639 176.174 175.510 0.042 0.000 1.914 537 N CA 0.354 53.427 53.050 0.038 0.000 0.893 537 N CB -0.170 38.337 38.487 0.033 0.000 1.322 537 N HN 0.099 nan 8.380 nan 0.000 0.490 538 G N 0.476 109.303 108.800 0.046 0.000 2.284 538 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.247 538 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.247 538 G C -0.081 174.856 174.900 0.063 0.000 1.012 538 G CA -0.118 45.011 45.100 0.048 0.000 0.618 538 G HN 0.470 nan 8.290 nan 0.000 0.521 539 N N 0.971 119.715 118.700 0.072 0.000 2.420 539 N HA 0.488 5.227 4.740 -0.000 0.000 0.249 539 N C 0.175 175.761 175.510 0.127 0.000 1.033 539 N CA -0.319 52.788 53.050 0.096 0.000 0.944 539 N CB 1.281 39.822 38.487 0.089 0.000 1.113 539 N HN 0.440 nan 8.380 nan 0.000 0.502 540 L N 2.808 124.121 121.223 0.152 0.000 2.462 540 L HA 0.071 4.411 4.340 -0.000 0.000 0.272 540 L C 0.225 177.276 176.870 0.303 0.000 1.166 540 L CA 0.262 55.227 54.840 0.209 0.000 0.880 540 L CB 0.075 42.241 42.059 0.178 0.000 1.142 540 L HN 0.656 nan 8.230 nan 0.000 0.473 541 Q N 4.196 124.209 119.800 0.356 0.000 2.575 541 Q HA 0.231 4.571 4.340 -0.000 0.000 0.290 541 Q C -1.849 174.272 176.000 0.201 0.000 0.963 541 Q CA -0.972 55.043 55.803 0.352 0.000 0.783 541 Q CB 1.596 30.459 28.738 0.210 0.000 1.467 541 Q HN 0.520 nan 8.270 nan 0.000 0.402 542 Y N 1.860 122.076 120.300 -0.140 0.000 2.721 542 Y HA 0.268 4.818 4.550 0.000 0.000 0.328 542 Y C -0.821 175.002 175.900 -0.129 0.000 1.003 542 Y CA -0.110 57.678 58.100 -0.520 0.000 1.275 542 Y CB 0.578 38.416 38.460 -1.036 0.000 1.097 542 Y HN 0.860 nan 8.280 nan 0.000 0.514 543 Q N 4.423 123.981 119.800 -0.402 0.000 2.457 543 Q HA -0.238 4.102 4.340 -0.000 0.000 0.333 543 Q C 1.113 177.053 176.000 -0.099 0.000 1.448 543 Q CA 1.029 56.653 55.803 -0.299 0.000 0.891 543 Q CB -1.439 27.016 28.738 -0.473 0.000 1.142 543 Q HN 1.282 nan 8.270 nan 0.000 0.375 544 G N -0.352 108.432 108.800 -0.027 0.000 2.304 544 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.252 544 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.252 544 G C 0.216 175.162 174.900 0.077 0.000 1.014 544 G CA 0.589 45.704 45.100 0.024 0.000 0.619 544 G HN 0.327 nan 8.290 nan 0.000 0.525 545 K N 1.860 122.339 120.400 0.133 0.000 2.316 545 K HA 0.505 4.824 4.320 -0.000 0.000 0.289 545 K C -0.003 176.793 176.600 0.325 0.000 1.070 545 K CA -0.287 56.134 56.287 0.222 0.000 0.928 545 K CB 0.423 33.139 32.500 0.359 0.000 1.039 545 K HN 0.338 nan 8.250 nan 0.000 0.480 546 D N 2.860 123.398 120.400 0.231 0.000 2.362 546 D HA 0.037 4.677 4.640 -0.000 0.000 0.242 546 D C 1.274 177.828 176.300 0.424 0.000 1.132 546 D CA 0.039 54.201 54.000 0.271 0.000 0.907 546 D CB 0.663 41.554 40.800 0.151 0.000 1.195 546 D HN 0.544 nan 8.370 nan 0.000 0.429 547 I N 0.673 121.541 120.570 0.498 0.000 2.248 547 I HA -0.253 3.917 4.170 -0.000 0.000 0.248 547 I C 2.236 178.711 176.117 0.595 0.000 1.107 547 I CA 1.278 62.977 61.300 0.664 0.000 1.373 547 I CB -1.318 37.020 38.000 0.562 0.000 1.055 547 I HN 0.493 nan 8.210 nan 0.000 0.418 548 T N -1.271 113.450 114.554 0.279 0.000 3.052 548 T HA -0.112 4.238 4.350 -0.000 0.000 0.270 548 T C 1.388 176.050 174.700 -0.063 0.000 1.147 548 T CA 1.054 63.104 62.100 -0.084 0.000 1.089 548 T CB -0.434 68.331 68.868 -0.172 0.000 0.875 548 T HN 0.419 nan 8.240 nan 0.000 0.541 549 E N 0.252 120.432 120.200 -0.034 0.000 2.489 549 E HA 0.251 4.601 4.350 -0.000 0.000 0.193 549 E C -0.570 175.730 176.600 -0.499 0.000 1.057 549 E CA 0.032 56.242 56.400 -0.316 0.000 0.866 549 E CB 0.018 29.428 29.700 -0.482 0.000 0.916 549 E HN 0.614 nan 8.360 nan 0.000 0.500 550 F N 0.648 120.703 119.950 0.176 0.000 2.563 550 F HA 0.318 4.845 4.527 -0.000 0.000 0.316 550 F C 0.541 176.418 175.800 0.128 0.000 1.076 550 F CA -1.212 56.865 58.000 0.127 0.000 0.921 550 F CB 1.417 40.475 39.000 0.097 0.000 1.209 550 F HN -0.335 nan 8.300 nan 0.000 0.462 551 D N 1.182 121.709 120.400 0.212 0.000 2.294 551 D HA 0.353 4.993 4.640 -0.000 0.000 0.250 551 D C -0.968 175.256 176.300 -0.127 0.000 1.058 551 D CA 0.079 54.168 54.000 0.148 0.000 0.950 551 D CB 1.192 42.060 40.800 0.113 0.000 1.158 551 D HN 0.176 nan 8.370 nan 0.000 0.453 552 F N 0.871 120.786 119.950 -0.058 0.000 2.458 552 F HA 0.354 4.881 4.527 -0.000 0.000 0.336 552 F C 0.196 175.670 175.800 -0.543 0.000 1.114 552 F CA -0.743 57.100 58.000 -0.260 0.000 0.987 552 F CB 1.211 40.038 39.000 -0.288 0.000 1.130 552 F HN 0.015 nan 8.300 nan 0.000 0.458 553 N N 2.842 121.313 118.700 -0.382 0.000 2.295 553 N HA 0.613 5.353 4.740 -0.000 0.000 0.293 553 N C -1.646 173.727 175.510 -0.227 0.000 1.040 553 N CA -0.571 52.238 53.050 -0.402 0.000 0.840 553 N CB 1.806 40.209 38.487 -0.140 0.000 1.468 553 N HN 0.158 nan 8.380 nan 0.000 0.478 554 F N -0.095 119.901 119.950 0.076 0.000 2.579 554 F HA 0.395 4.922 4.527 -0.000 0.000 0.324 554 F C 0.554 176.388 175.800 0.057 0.000 1.058 554 F CA -1.565 56.473 58.000 0.064 0.000 0.944 554 F CB 0.776 39.804 39.000 0.047 0.000 1.245 554 F HN 0.426 nan 8.300 nan 0.000 0.477 555 D N -0.327 120.228 120.400 0.258 0.000 2.384 555 D HA 0.083 4.723 4.640 -0.000 0.000 0.244 555 D C 1.049 177.432 176.300 0.140 0.000 1.251 555 D CA -0.294 53.798 54.000 0.153 0.000 0.961 555 D CB 0.448 41.318 40.800 0.116 0.000 1.116 555 D HN 0.655 nan 8.370 nan 0.000 0.484 556 Q N -0.548 119.305 119.800 0.089 0.000 1.956 556 Q HA -0.329 4.010 4.340 -0.000 0.000 0.208 556 Q C 2.060 178.099 176.000 0.065 0.000 0.998 556 Q CA 2.001 57.848 55.803 0.073 0.000 0.855 556 Q CB -0.144 28.622 28.738 0.047 0.000 0.928 556 Q HN 0.636 nan 8.270 nan 0.000 0.418 557 Q N -0.677 119.149 119.800 0.044 0.000 2.045 557 Q HA -0.202 4.138 4.340 -0.000 0.000 0.206 557 Q C 2.226 178.229 176.000 0.004 0.000 0.991 557 Q CA 1.981 57.796 55.803 0.021 0.000 0.851 557 Q CB -0.463 28.283 28.738 0.012 0.000 0.911 557 Q HN 0.467 nan 8.270 nan 0.000 0.418 558 T N -0.304 114.251 114.554 0.002 0.000 2.788 558 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 558 T C 2.035 176.663 174.700 -0.120 0.000 1.044 558 T CA 1.624 63.677 62.100 -0.078 0.000 1.139 558 T CB -0.235 68.582 68.868 -0.085 0.000 0.867 558 T HN 0.282 nan 8.240 nan 0.000 0.454 559 S N 0.015 115.756 115.700 0.068 0.000 2.353 559 S HA -0.188 4.282 4.470 -0.000 0.000 0.222 559 S C 2.197 176.844 174.600 0.079 0.000 1.035 559 S CA 2.110 60.435 58.200 0.207 0.000 1.025 559 S CB -0.660 62.711 63.200 0.285 0.000 0.902 559 S HN 0.618 nan 8.310 nan 0.000 0.440 560 Q N 2.132 121.960 119.800 0.045 0.000 2.077 560 Q HA -0.150 4.190 4.340 -0.000 0.000 0.206 560 Q C 2.055 178.045 176.000 -0.015 0.000 0.989 560 Q CA 2.259 58.073 55.803 0.019 0.000 0.853 560 Q CB -0.838 27.909 28.738 0.015 0.000 0.907 560 Q HN 0.631 nan 8.270 nan 0.000 0.418 561 N N -0.024 118.649 118.700 -0.046 0.000 2.036 561 N HA -0.172 4.567 4.740 -0.000 0.000 0.195 561 N C 1.620 177.071 175.510 -0.099 0.000 1.037 561 N CA 1.868 54.873 53.050 -0.075 0.000 0.855 561 N CB -0.273 38.155 38.487 -0.099 0.000 1.033 561 N HN 0.326 nan 8.380 nan 0.000 0.423 562 I N 1.487 121.965 120.570 -0.154 0.000 2.127 562 I HA -0.266 3.904 4.170 -0.000 0.000 0.241 562 I C 2.257 178.335 176.117 -0.065 0.000 1.075 562 I CA 1.268 62.468 61.300 -0.167 0.000 1.334 562 I CB -1.121 36.718 38.000 -0.268 0.000 1.040 562 I HN 0.248 nan 8.210 nan 0.000 0.405 563 K N 0.722 121.114 120.400 -0.013 0.000 2.044 563 K HA -0.229 4.091 4.320 -0.000 0.000 0.210 563 K C 1.817 178.410 176.600 -0.012 0.000 1.049 563 K CA 1.897 58.187 56.287 0.006 0.000 0.927 563 K CB -0.299 32.216 32.500 0.025 0.000 0.713 563 K HN 0.333 nan 8.250 nan 0.000 0.443 564 N N 1.033 119.721 118.700 -0.021 0.000 2.149 564 N HA -0.167 4.573 4.740 -0.000 0.000 0.188 564 N C 1.749 177.240 175.510 -0.032 0.000 1.019 564 N CA 1.235 54.271 53.050 -0.023 0.000 0.857 564 N CB -0.218 38.253 38.487 -0.025 0.000 0.997 564 N HN 0.319 nan 8.380 nan 0.000 0.426 565 Q N 0.318 120.089 119.800 -0.047 0.000 2.016 565 Q HA -0.024 4.316 4.340 -0.000 0.000 0.200 565 Q C 2.229 178.202 176.000 -0.046 0.000 0.978 565 Q CA 0.878 56.649 55.803 -0.054 0.000 0.833 565 Q CB -0.326 28.364 28.738 -0.080 0.000 0.895 565 Q HN 0.359 nan 8.270 nan 0.000 0.427 566 L N 0.514 121.710 121.223 -0.045 0.000 1.990 566 L HA -0.258 4.082 4.340 -0.000 0.000 0.213 566 L C 2.624 179.482 176.870 -0.020 0.000 1.072 566 L CA 1.220 56.040 54.840 -0.033 0.000 0.755 566 L CB -0.777 41.267 42.059 -0.025 0.000 0.889 566 L HN 0.235 nan 8.230 nan 0.000 0.432 567 A N -0.060 122.751 122.820 -0.014 0.000 1.859 567 A HA -0.315 4.005 4.320 -0.000 0.000 0.217 567 A C 2.216 179.794 177.584 -0.011 0.000 1.198 567 A CA 2.185 54.217 52.037 -0.009 0.000 0.629 567 A CB -0.728 18.268 19.000 -0.006 0.000 0.830 567 A HN 0.490 nan 8.150 nan 0.000 0.446 568 E N -0.705 119.485 120.200 -0.016 0.000 2.401 568 E HA -0.051 4.298 4.350 -0.000 0.000 0.199 568 E C 1.441 178.031 176.600 -0.017 0.000 1.023 568 E CA 0.476 56.866 56.400 -0.016 0.000 0.859 568 E CB -0.168 29.520 29.700 -0.020 0.000 0.780 568 E HN 0.632 nan 8.360 nan 0.000 0.523 569 L N 0.323 121.534 121.223 -0.020 0.000 2.592 569 L HA 0.087 4.427 4.340 -0.000 0.000 0.227 569 L C 0.390 177.252 176.870 -0.013 0.000 1.127 569 L CA -0.165 54.663 54.840 -0.020 0.000 0.884 569 L CB 0.108 42.150 42.059 -0.029 0.000 1.065 569 L HN 0.115 nan 8.230 nan 0.000 0.457 570 N N 0.605 119.299 118.700 -0.009 0.000 2.708 570 N HA -0.178 4.561 4.740 -0.000 0.000 0.249 570 N C -0.125 175.384 175.510 -0.002 0.000 1.097 570 N CA 0.964 54.012 53.050 -0.004 0.000 0.710 570 N CB -0.619 37.867 38.487 -0.003 0.000 1.032 570 N HN 0.399 nan 8.380 nan 0.000 0.551 571 A N -1.128 121.688 122.820 -0.005 0.000 2.355 571 A HA 0.726 5.046 4.320 -0.000 0.000 0.324 571 A C 1.215 178.800 177.584 0.002 0.000 1.117 571 A CA 0.292 52.328 52.037 -0.002 0.000 0.785 571 A CB 1.134 20.128 19.000 -0.010 0.000 1.254 571 A HN 0.266 nan 8.150 nan 0.000 0.453 572 T N -1.603 112.959 114.554 0.013 0.000 3.026 572 T HA 0.131 4.481 4.350 -0.000 0.000 0.245 572 T C 0.523 175.243 174.700 0.034 0.000 1.004 572 T CA 0.351 62.464 62.100 0.021 0.000 1.069 572 T CB -0.321 68.562 68.868 0.026 0.000 1.005 572 T HN 0.474 nan 8.240 nan 0.000 0.472 573 N N 1.405 120.133 118.700 0.046 0.000 2.414 573 N HA 0.319 5.059 4.740 -0.000 0.000 0.256 573 N C 0.647 176.185 175.510 0.047 0.000 1.029 573 N CA -0.600 52.503 53.050 0.089 0.000 0.948 573 N CB 0.818 39.374 38.487 0.115 0.000 1.102 573 N HN 0.351 nan 8.380 nan 0.000 0.496 574 I N 3.779 124.338 120.570 -0.019 0.000 2.439 574 I HA -0.201 3.969 4.170 -0.000 0.000 0.251 574 I C 0.655 176.638 176.117 -0.223 0.000 1.139 574 I CA 1.091 62.269 61.300 -0.203 0.000 1.438 574 I CB 0.045 37.796 38.000 -0.414 0.000 1.085 574 I HN 0.595 nan 8.210 nan 0.000 0.427 575 Y N 0.798 121.054 120.300 -0.073 0.000 2.483 575 Y HA -0.187 4.363 4.550 -0.000 0.000 0.291 575 Y C 2.399 178.296 175.900 -0.004 0.000 1.143 575 Y CA 1.440 59.533 58.100 -0.012 0.000 1.289 575 Y CB -0.594 37.907 38.460 0.067 0.000 0.983 575 Y HN 0.312 nan 8.280 nan 0.000 0.556 576 T N -4.300 110.323 114.554 0.116 0.000 3.186 576 T HA 0.262 4.612 4.350 -0.000 0.000 0.257 576 T C 0.546 175.257 174.700 0.018 0.000 1.029 576 T CA 0.286 62.428 62.100 0.070 0.000 0.916 576 T CB 0.190 69.097 68.868 0.065 0.000 1.041 576 T HN 0.084 nan 8.240 nan 0.000 0.562 577 V N 0.701 120.602 119.914 -0.021 0.000 3.590 577 V HA 0.363 4.483 4.120 -0.000 0.000 0.389 577 V C 1.027 177.070 176.094 -0.085 0.000 1.545 577 V CA -0.269 62.003 62.300 -0.047 0.000 1.448 577 V CB -0.183 31.610 31.823 -0.050 0.000 1.105 577 V HN 0.485 nan 8.190 nan 0.000 0.537 578 L N 0.743 121.911 121.223 -0.093 0.000 2.191 578 L HA -0.067 4.273 4.340 -0.000 0.000 0.212 578 L C 2.183 178.998 176.870 -0.092 0.000 1.103 578 L CA 2.035 56.801 54.840 -0.124 0.000 0.769 578 L CB -0.394 41.600 42.059 -0.108 0.000 0.908 578 L HN 0.598 nan 8.230 nan 0.000 0.438 579 D N -0.862 119.501 120.400 -0.061 0.000 2.349 579 D HA -0.120 4.520 4.640 -0.000 0.000 0.224 579 D C 1.516 177.783 176.300 -0.054 0.000 1.029 579 D CA 0.562 54.531 54.000 -0.053 0.000 0.879 579 D CB 0.021 40.801 40.800 -0.033 0.000 0.906 579 D HN 0.205 nan 8.370 nan 0.000 0.528 580 K N 0.098 120.461 120.400 -0.061 0.000 2.360 580 K HA 0.272 4.592 4.320 -0.000 0.000 0.196 580 K C 0.755 177.311 176.600 -0.072 0.000 1.049 580 K CA -0.277 55.976 56.287 -0.057 0.000 1.049 580 K CB 1.414 33.886 32.500 -0.048 0.000 0.881 580 K HN 0.248 nan 8.250 nan 0.000 0.542 581 I N 3.326 123.839 120.570 -0.094 0.000 2.322 581 I HA 0.034 4.204 4.170 -0.000 0.000 0.292 581 I C 0.242 176.294 176.117 -0.107 0.000 1.060 581 I CA -0.310 60.920 61.300 -0.115 0.000 1.309 581 I CB 0.552 38.456 38.000 -0.160 0.000 1.415 581 I HN -0.284 nan 8.210 nan 0.000 0.492 582 K N 7.303 127.646 120.400 -0.096 0.000 2.270 582 K HA 0.459 4.779 4.320 -0.000 0.000 0.276 582 K C -0.377 176.165 176.600 -0.097 0.000 1.023 582 K CA -0.423 55.815 56.287 -0.083 0.000 0.955 582 K CB 1.368 33.828 32.500 -0.066 0.000 0.975 582 K HN 0.517 nan 8.250 nan 0.000 0.471 583 L N 2.531 123.705 121.223 -0.081 0.000 2.343 583 L HA 0.342 4.682 4.340 -0.000 0.000 0.275 583 L C 0.058 176.892 176.870 -0.061 0.000 1.056 583 L CA -0.578 54.214 54.840 -0.080 0.000 0.804 583 L CB 1.066 43.087 42.059 -0.064 0.000 1.203 583 L HN 0.604 nan 8.230 nan 0.000 0.440 584 N N 0.405 119.069 118.700 -0.060 0.000 2.229 584 N HA 0.537 5.277 4.740 -0.000 0.000 0.298 584 N C -0.747 174.745 175.510 -0.030 0.000 1.114 584 N CA -0.713 52.312 53.050 -0.042 0.000 0.776 584 N CB 1.942 40.401 38.487 -0.046 0.000 1.501 584 N HN 0.711 nan 8.380 nan 0.000 0.474 585 A N 1.457 124.266 122.820 -0.018 0.000 2.587 585 A HA 0.055 4.375 4.320 -0.000 0.000 0.235 585 A C 0.476 178.055 177.584 -0.010 0.000 1.044 585 A CA 0.714 52.745 52.037 -0.009 0.000 0.754 585 A CB -0.241 18.757 19.000 -0.004 0.000 0.968 585 A HN 0.968 nan 8.150 nan 0.000 0.509 586 K N -0.147 120.251 120.400 -0.003 0.000 3.509 586 K HA -0.144 4.176 4.320 -0.000 0.000 0.302 586 K C -0.038 176.564 176.600 0.004 0.000 1.355 586 K CA 1.180 57.469 56.287 0.003 0.000 0.953 586 K CB -1.863 30.638 32.500 0.001 0.000 1.321 586 K HN 0.790 nan 8.250 nan 0.000 0.461 587 M N 1.457 121.051 119.600 -0.009 0.000 2.238 587 M HA 0.097 4.577 4.480 -0.000 0.000 0.347 587 M C -0.038 176.275 176.300 0.021 0.000 1.173 587 M CA 0.471 55.759 55.300 -0.019 0.000 1.147 587 M CB 0.420 32.982 32.600 -0.064 0.000 1.547 587 M HN 0.006 nan 8.290 nan 0.000 0.455 588 N N 4.351 123.082 118.700 0.052 0.000 2.491 588 N HA 0.521 5.261 4.740 -0.000 0.000 0.274 588 N C -1.340 174.276 175.510 0.178 0.000 1.023 588 N CA -0.207 52.909 53.050 0.110 0.000 0.902 588 N CB 1.348 39.923 38.487 0.146 0.000 1.267 588 N HN 0.531 nan 8.380 nan 0.000 0.503 589 I N 1.626 122.295 120.570 0.166 0.000 2.474 589 I HA 0.418 4.588 4.170 -0.000 0.000 0.294 589 I C -0.727 175.466 176.117 0.125 0.000 1.005 589 I CA -1.067 60.401 61.300 0.280 0.000 1.113 589 I CB 2.134 40.298 38.000 0.273 0.000 1.289 589 I HN 0.143 nan 8.210 nan 0.000 0.436 590 L N 7.785 129.066 121.223 0.097 0.000 2.356 590 L HA 0.621 4.961 4.340 -0.000 0.000 0.277 590 L C -1.100 175.679 176.870 -0.153 0.000 0.996 590 L CA -0.138 54.664 54.840 -0.063 0.000 0.822 590 L CB 1.394 43.426 42.059 -0.045 0.000 1.256 590 L HN 0.403 nan 8.230 nan 0.000 0.413 591 I N 5.538 125.978 120.570 -0.216 0.000 2.411 591 I HA 0.518 4.688 4.170 -0.000 0.000 0.284 591 I C -0.300 175.723 176.117 -0.157 0.000 1.012 591 I CA -0.545 60.589 61.300 -0.277 0.000 1.119 591 I CB 1.241 39.017 38.000 -0.373 0.000 1.261 591 I HN 0.582 nan 8.210 nan 0.000 0.448 592 R N 2.854 123.307 120.500 -0.080 0.000 2.892 592 R HA 0.403 4.743 4.340 -0.000 0.000 0.265 592 R C -0.994 175.522 176.300 0.360 0.000 1.025 592 R CA -1.109 54.972 56.100 -0.032 0.000 0.982 592 R CB 1.705 31.736 30.300 -0.448 0.000 1.185 592 R HN 0.399 nan 8.270 nan 0.000 0.484 593 D N 1.382 122.052 120.400 0.449 0.000 2.383 593 D HA 0.020 4.660 4.640 -0.000 0.000 0.252 593 D C 0.407 176.884 176.300 0.295 0.000 1.166 593 D CA 0.298 54.497 54.000 0.332 0.000 0.879 593 D CB 1.089 42.143 40.800 0.424 0.000 1.164 593 D HN 0.369 nan 8.370 nan 0.000 0.462 594 K N 2.887 123.314 120.400 0.045 0.000 2.103 594 K HA -0.137 4.182 4.320 -0.000 0.000 0.207 594 K C 1.909 178.423 176.600 -0.144 0.000 1.048 594 K CA 0.868 57.149 56.287 -0.010 0.000 0.930 594 K CB 0.175 32.631 32.500 -0.073 0.000 0.716 594 K HN 0.393 nan 8.250 nan 0.000 0.444 595 R N -0.001 120.343 120.500 -0.259 0.000 2.170 595 R HA -0.114 4.226 4.340 -0.000 0.000 0.242 595 R C 0.423 176.295 176.300 -0.713 0.000 1.145 595 R CA 1.032 56.798 56.100 -0.556 0.000 0.984 595 R CB -0.223 29.570 30.300 -0.845 0.000 0.869 595 R HN 0.065 nan 8.270 nan 0.000 0.455 596 F N -1.345 118.418 119.950 -0.311 0.000 2.509 596 F HA 0.309 4.836 4.527 -0.000 0.000 0.334 596 F C 0.349 175.681 175.800 -0.780 0.000 1.060 596 F CA -1.167 56.551 58.000 -0.471 0.000 0.997 596 F CB 0.829 39.535 39.000 -0.490 0.000 1.271 596 F HN -0.169 nan 8.300 nan 0.000 0.488 597 H N -0.516 118.365 119.070 -0.315 0.000 2.467 597 H HA 0.415 4.971 4.556 -0.000 0.000 0.326 597 H C -1.411 173.676 175.328 -0.402 0.000 1.094 597 H CA -0.472 55.395 56.048 -0.303 0.000 1.253 597 H CB 0.771 30.461 29.762 -0.119 0.000 1.439 597 H HN 0.356 nan 8.280 nan 0.000 0.479 598 Y N 1.706 122.093 120.300 0.145 0.000 2.377 598 Y HA 0.157 4.707 4.550 -0.000 0.000 0.339 598 Y C 0.578 176.514 175.900 0.060 0.000 1.011 598 Y CA -1.133 57.014 58.100 0.077 0.000 1.093 598 Y CB 0.875 39.362 38.460 0.045 0.000 1.201 598 Y HN 0.720 nan 8.280 nan 0.000 0.455 599 D N 1.513 122.023 120.400 0.184 0.000 2.315 599 D HA 0.066 4.705 4.640 -0.000 0.000 0.275 599 D C 0.819 177.171 176.300 0.087 0.000 1.218 599 D CA -0.043 54.017 54.000 0.099 0.000 1.040 599 D CB 0.476 41.309 40.800 0.055 0.000 1.123 599 D HN 0.501 nan 8.370 nan 0.000 0.541 600 R N -1.073 119.453 120.500 0.044 0.000 2.200 600 R HA 0.080 4.420 4.340 -0.000 0.000 0.208 600 R C 0.992 177.299 176.300 0.011 0.000 1.033 600 R CA 0.337 56.451 56.100 0.023 0.000 1.000 600 R CB -0.248 30.054 30.300 0.004 0.000 0.906 600 R HN 0.421 nan 8.270 nan 0.000 0.462 601 N N 0.958 119.668 118.700 0.017 0.000 2.270 601 N HA 0.017 4.757 4.740 -0.000 0.000 0.198 601 N C -0.286 175.238 175.510 0.024 0.000 1.117 601 N CA 0.081 53.136 53.050 0.007 0.000 0.845 601 N CB 0.204 38.691 38.487 -0.000 0.000 0.980 601 N HN 0.159 nan 8.380 nan 0.000 0.486 602 N N 0.365 119.090 118.700 0.042 0.000 2.776 602 N HA -0.172 4.568 4.740 -0.000 0.000 0.250 602 N C -0.703 174.830 175.510 0.038 0.000 1.112 602 N CA 0.521 53.573 53.050 0.004 0.000 0.733 602 N CB -1.492 36.950 38.487 -0.074 0.000 1.097 602 N HN 0.356 nan 8.380 nan 0.000 0.558 603 I N 1.064 121.700 120.570 0.110 0.000 2.331 603 I HA 0.338 4.508 4.170 -0.000 0.000 0.292 603 I C 1.108 177.339 176.117 0.190 0.000 0.998 603 I CA -0.608 60.755 61.300 0.103 0.000 1.267 603 I CB 1.379 39.401 38.000 0.037 0.000 1.386 603 I HN 0.096 nan 8.210 nan 0.000 0.476 604 A N 6.174 129.090 122.820 0.161 0.000 2.526 604 A HA 0.239 4.559 4.320 -0.000 0.000 0.267 604 A C 0.951 178.521 177.584 -0.023 0.000 1.095 604 A CA 0.000 52.042 52.037 0.008 0.000 0.775 604 A CB -0.140 18.709 19.000 -0.252 0.000 1.036 604 A HN 0.775 nan 8.150 nan 0.000 0.510 605 V N 0.790 120.702 119.914 -0.004 0.000 3.612 605 V HA 0.626 4.745 4.120 -0.000 0.000 0.268 605 V C 0.799 176.905 176.094 0.021 0.000 1.365 605 V CA 0.724 63.029 62.300 0.008 0.000 1.044 605 V CB -0.542 31.288 31.823 0.013 0.000 0.820 605 V HN 1.277 nan 8.190 nan 0.000 0.444 606 G N -0.883 107.954 108.800 0.062 0.000 2.619 606 G HA2 0.893 4.853 3.960 -0.000 0.000 0.305 606 G HA3 0.893 4.853 3.960 -0.000 0.000 0.305 606 G C -1.431 173.620 174.900 0.252 0.000 1.330 606 G CA -0.068 45.096 45.100 0.107 0.000 0.789 606 G HN 1.247 nan 8.290 nan 0.000 0.487 607 A N -0.771 122.221 122.820 0.287 0.000 2.567 607 A HA 0.627 4.947 4.320 -0.000 0.000 0.291 607 A C -1.344 176.369 177.584 0.215 0.000 1.048 607 A CA -0.667 51.523 52.037 0.254 0.000 0.661 607 A CB 0.636 19.616 19.000 -0.033 0.000 1.288 607 A HN 0.611 nan 8.150 nan 0.000 0.424 608 D N 0.879 121.369 120.400 0.150 0.000 2.449 608 D HA 0.067 4.707 4.640 -0.000 0.000 0.236 608 D C 0.842 177.164 176.300 0.038 0.000 1.149 608 D CA 0.512 54.581 54.000 0.116 0.000 0.878 608 D CB 0.895 41.712 40.800 0.028 0.000 1.198 608 D HN 0.628 nan 8.370 nan 0.000 0.446 609 E N 0.783 121.000 120.200 0.028 0.000 2.130 609 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 609 E C 1.971 178.584 176.600 0.022 0.000 0.998 609 E CA 1.220 57.632 56.400 0.021 0.000 0.806 609 E CB 0.012 29.720 29.700 0.015 0.000 0.738 609 E HN 0.300 nan 8.360 nan 0.000 0.459 610 S N 0.835 116.539 115.700 0.007 0.000 2.353 610 S HA -0.180 4.290 4.470 -0.000 0.000 0.222 610 S C 2.400 176.994 174.600 -0.010 0.000 1.035 610 S CA 1.601 59.799 58.200 -0.003 0.000 1.025 610 S CB -0.520 62.669 63.200 -0.018 0.000 0.902 610 S HN 0.365 nan 8.310 nan 0.000 0.440 611 V N -0.177 119.714 119.914 -0.039 0.000 2.871 611 V HA 0.063 4.183 4.120 -0.000 0.000 0.256 611 V C 1.874 177.955 176.094 -0.020 0.000 1.082 611 V CA 0.860 63.117 62.300 -0.072 0.000 1.105 611 V CB -0.883 30.833 31.823 -0.179 0.000 0.713 611 V HN 0.335 nan 8.190 nan 0.000 0.473 612 V N 0.369 120.303 119.914 0.033 0.000 2.591 612 V HA -0.103 4.017 4.120 -0.000 0.000 0.249 612 V C 2.680 178.905 176.094 0.218 0.000 1.053 612 V CA 2.041 64.416 62.300 0.125 0.000 1.068 612 V CB -0.660 31.232 31.823 0.115 0.000 0.689 612 V HN 0.524 nan 8.190 nan 0.000 0.462 613 K N 0.256 120.740 120.400 0.139 0.000 2.001 613 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 613 K C 2.151 178.843 176.600 0.154 0.000 1.048 613 K CA 1.664 58.040 56.287 0.149 0.000 0.932 613 K CB -0.223 32.327 32.500 0.082 0.000 0.715 613 K HN 0.507 nan 8.250 nan 0.000 0.437 614 E N 0.818 121.069 120.200 0.084 0.000 2.085 614 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 614 E C 2.079 178.707 176.600 0.047 0.000 0.994 614 E CA 1.113 57.544 56.400 0.052 0.000 0.801 614 E CB -0.202 29.506 29.700 0.014 0.000 0.743 614 E HN 0.345 nan 8.360 nan 0.000 0.453 615 A N 0.888 123.725 122.820 0.028 0.000 2.024 615 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 615 A C 1.460 178.965 177.584 -0.131 0.000 1.164 615 A CA 1.716 53.713 52.037 -0.066 0.000 0.643 615 A CB -0.626 18.302 19.000 -0.120 0.000 0.806 615 A HN 0.283 nan 8.150 nan 0.000 0.451 616 H N -2.163 116.955 119.070 0.080 0.000 2.592 616 H HA 0.178 4.734 4.556 -0.000 0.000 0.265 616 H C 1.969 177.345 175.328 0.080 0.000 0.955 616 H CA 0.546 56.650 56.048 0.093 0.000 1.175 616 H CB 0.108 29.948 29.762 0.130 0.000 1.433 616 H HN 0.495 nan 8.280 nan 0.000 0.537 617 R N 1.565 122.157 120.500 0.154 0.000 2.096 617 R HA -0.150 4.190 4.340 -0.000 0.000 0.240 617 R C 0.697 177.043 176.300 0.078 0.000 1.139 617 R CA 1.290 57.449 56.100 0.098 0.000 0.952 617 R CB -0.046 30.290 30.300 0.060 0.000 0.854 617 R HN 0.316 nan 8.270 nan 0.000 0.436 618 E N 1.288 121.523 120.200 0.059 0.000 1.795 618 E HA 0.048 4.398 4.350 -0.000 0.000 0.261 618 E C -1.070 175.567 176.600 0.061 0.000 1.238 618 E CA -0.388 56.040 56.400 0.046 0.000 1.001 618 E CB 0.386 30.101 29.700 0.026 0.000 1.065 618 E HN 0.068 nan 8.360 nan 0.000 0.418 619 V N 5.489 125.450 119.914 0.077 0.000 2.834 619 V HA 0.047 4.167 4.120 -0.000 0.000 0.301 619 V C 1.174 177.307 176.094 0.065 0.000 1.066 619 V CA -0.446 61.910 62.300 0.094 0.000 1.052 619 V CB 1.456 33.364 31.823 0.142 0.000 1.021 619 V HN 0.703 nan 8.190 nan 0.000 0.480 620 I N 1.562 122.168 120.570 0.059 0.000 3.883 620 I HA 0.271 4.441 4.170 -0.000 0.000 0.305 620 I C 0.433 176.576 176.117 0.044 0.000 1.247 620 I CA 0.735 62.060 61.300 0.042 0.000 1.350 620 I CB -0.060 37.959 38.000 0.032 0.000 1.194 620 I HN 0.775 nan 8.210 nan 0.000 0.441 621 N N 0.760 119.493 118.700 0.055 0.000 2.864 621 N HA 0.095 4.835 4.740 -0.000 0.000 0.247 621 N C -1.214 174.330 175.510 0.057 0.000 1.071 621 N CA -0.103 52.978 53.050 0.053 0.000 1.056 621 N CB 1.386 39.891 38.487 0.031 0.000 1.661 621 N HN -0.030 nan 8.380 nan 0.000 0.570 622 S N 1.243 116.991 115.700 0.080 0.000 2.498 622 S HA 0.863 5.333 4.470 -0.000 0.000 0.317 622 S C -0.390 174.253 174.600 0.071 0.000 1.090 622 S CA -0.409 57.837 58.200 0.076 0.000 1.089 622 S CB 1.295 64.641 63.200 0.243 0.000 0.997 622 S HN 0.420 nan 8.310 nan 0.000 0.470 623 S N 1.662 117.380 115.700 0.030 0.000 3.565 623 S HA 0.620 5.090 4.470 -0.000 0.000 0.242 623 S C 0.916 175.586 174.600 0.116 0.000 1.023 623 S CA -0.140 58.098 58.200 0.063 0.000 1.300 623 S CB 0.457 63.687 63.200 0.050 0.000 1.198 623 S HN 0.946 nan 8.310 nan 0.000 0.697 624 T N -1.239 113.400 114.554 0.142 0.000 3.043 624 T HA 0.364 4.714 4.350 -0.000 0.000 0.272 624 T C 0.318 175.197 174.700 0.298 0.000 0.990 624 T CA -0.188 62.065 62.100 0.254 0.000 0.897 624 T CB -0.068 68.900 68.868 0.166 0.000 1.111 624 T HN 0.390 nan 8.240 nan 0.000 0.529 625 E N 0.994 121.277 120.200 0.140 0.000 2.474 625 E HA 0.483 4.833 4.350 -0.000 0.000 0.195 625 E C 1.086 177.611 176.600 -0.125 0.000 1.039 625 E CA -0.049 56.418 56.400 0.111 0.000 0.881 625 E CB 0.597 30.372 29.700 0.125 0.000 0.970 625 E HN 0.705 nan 8.360 nan 0.000 0.486 626 G N 0.637 109.029 108.800 -0.680 0.000 2.302 626 G HA2 0.080 4.040 3.960 -0.000 0.000 0.264 626 G HA3 0.080 4.040 3.960 -0.000 0.000 0.264 626 G C -1.912 172.270 174.900 -1.197 0.000 1.335 626 G CA -1.000 43.045 45.100 -1.759 0.000 0.982 626 G HN 0.029 nan 8.290 nan 0.000 0.473 627 L N -0.040 120.550 121.223 -1.055 0.000 2.388 627 L HA 0.883 5.223 4.340 -0.000 0.000 0.264 627 L C -1.042 175.697 176.870 -0.218 0.000 0.998 627 L CA -0.995 53.535 54.840 -0.515 0.000 0.817 627 L CB 2.159 43.897 42.059 -0.537 0.000 1.338 627 L HN 0.667 nan 8.230 nan 0.000 0.414 628 L N 5.391 126.621 121.223 0.012 0.000 2.409 628 L HA 0.713 5.053 4.340 -0.000 0.000 0.272 628 L C -1.398 175.505 176.870 0.054 0.000 0.980 628 L CA -0.435 54.480 54.840 0.125 0.000 0.826 628 L CB 1.716 43.889 42.059 0.191 0.000 1.268 628 L HN 0.576 nan 8.230 nan 0.000 0.407 629 L N 1.295 122.544 121.223 0.044 0.000 2.775 629 L HA 0.648 4.988 4.340 -0.000 0.000 0.263 629 L C -1.707 175.179 176.870 0.026 0.000 1.017 629 L CA -0.978 53.885 54.840 0.037 0.000 0.891 629 L CB 2.019 44.108 42.059 0.049 0.000 1.482 629 L HN 0.443 nan 8.230 nan 0.000 0.410 630 N N 1.433 120.143 118.700 0.017 0.000 2.425 630 N HA 0.671 5.410 4.740 -0.000 0.000 0.268 630 N C -1.444 174.058 175.510 -0.014 0.000 0.991 630 N CA -0.312 52.742 53.050 0.007 0.000 0.931 630 N CB 1.348 39.840 38.487 0.008 0.000 1.130 630 N HN 0.785 nan 8.380 nan 0.000 0.493 631 I N 1.515 122.071 120.570 -0.023 0.000 2.647 631 I HA 0.312 4.482 4.170 -0.000 0.000 0.295 631 I C -0.672 175.432 176.117 -0.023 0.000 1.078 631 I CA -0.926 60.336 61.300 -0.062 0.000 1.048 631 I CB 1.607 39.516 38.000 -0.152 0.000 1.239 631 I HN 0.451 nan 8.210 nan 0.000 0.421 632 D N 5.007 125.397 120.400 -0.016 0.000 2.506 632 D HA -0.055 4.584 4.640 -0.000 0.000 0.234 632 D C 1.072 177.395 176.300 0.039 0.000 1.143 632 D CA 0.411 54.423 54.000 0.021 0.000 0.871 632 D CB 1.118 41.942 40.800 0.039 0.000 1.190 632 D HN 0.606 nan 8.370 nan 0.000 0.459 633 K N 1.817 122.243 120.400 0.044 0.000 2.217 633 K HA -0.106 4.214 4.320 -0.000 0.000 0.202 633 K C 0.590 177.218 176.600 0.047 0.000 1.051 633 K CA 0.902 57.214 56.287 0.043 0.000 0.952 633 K CB 0.146 32.666 32.500 0.035 0.000 0.736 633 K HN 0.244 nan 8.250 nan 0.000 0.453 634 D N 0.853 121.295 120.400 0.070 0.000 2.371 634 D HA -0.008 4.632 4.640 -0.000 0.000 0.221 634 D C 1.577 177.966 176.300 0.149 0.000 0.986 634 D CA 0.522 54.563 54.000 0.069 0.000 0.899 634 D CB 0.200 41.089 40.800 0.149 0.000 0.902 634 D HN 0.268 nan 8.370 nan 0.000 0.530 635 I N 0.101 120.769 120.570 0.163 0.000 2.731 635 I HA -0.008 4.162 4.170 -0.000 0.000 0.260 635 I C 1.949 178.142 176.117 0.126 0.000 1.138 635 I CA 0.413 61.829 61.300 0.193 0.000 1.461 635 I CB -0.427 37.643 38.000 0.117 0.000 1.128 635 I HN -0.063 nan 8.210 nan 0.000 0.438 636 R N 0.959 121.513 120.500 0.090 0.000 2.341 636 R HA -0.103 4.237 4.340 -0.000 0.000 0.213 636 R C 1.885 178.215 176.300 0.049 0.000 1.082 636 R CA 0.578 56.727 56.100 0.082 0.000 1.017 636 R CB -0.102 30.245 30.300 0.079 0.000 0.860 636 R HN 0.368 nan 8.270 nan 0.000 0.473 637 K N 0.986 121.402 120.400 0.025 0.000 2.186 637 K HA 0.014 4.334 4.320 -0.000 0.000 0.202 637 K C 1.833 178.425 176.600 -0.013 0.000 1.052 637 K CA 0.818 57.096 56.287 -0.015 0.000 0.965 637 K CB 0.255 32.705 32.500 -0.083 0.000 0.746 637 K HN 0.296 nan 8.250 nan 0.000 0.457 638 I N -1.291 119.291 120.570 0.019 0.000 3.904 638 I HA 0.217 4.386 4.170 -0.000 0.000 0.333 638 I C -0.353 175.780 176.117 0.027 0.000 1.361 638 I CA -0.163 61.158 61.300 0.035 0.000 1.116 638 I CB 0.147 38.217 38.000 0.117 0.000 1.028 638 I HN -0.177 nan 8.210 nan 0.000 0.398 639 L N 1.428 122.656 121.223 0.009 0.000 2.333 639 L HA 0.396 4.736 4.340 -0.000 0.000 0.280 639 L C 1.231 178.064 176.870 -0.063 0.000 1.004 639 L CA -0.452 54.355 54.840 -0.055 0.000 0.820 639 L CB 2.144 44.148 42.059 -0.090 0.000 1.247 639 L HN 0.196 nan 8.230 nan 0.000 0.416 640 S N 0.743 116.399 115.700 -0.074 0.000 2.458 640 S HA 0.404 4.874 4.470 -0.000 0.000 0.223 640 S C 0.747 175.319 174.600 -0.047 0.000 1.019 640 S CA 0.338 58.530 58.200 -0.013 0.000 0.937 640 S CB 0.538 63.766 63.200 0.046 0.000 0.788 640 S HN 0.912 nan 8.310 nan 0.000 0.511 641 G N -0.586 108.099 108.800 -0.193 0.000 2.367 641 G HA2 0.446 4.406 3.960 -0.000 0.000 0.272 641 G HA3 0.446 4.406 3.960 -0.000 0.000 0.272 641 G C -2.124 172.485 174.900 -0.485 0.000 1.271 641 G CA -0.947 44.028 45.100 -0.209 0.000 0.893 641 G HN 0.218 nan 8.290 nan 0.000 0.485 642 Y N -0.532 119.804 120.300 0.061 0.000 2.581 642 Y HA 0.740 5.290 4.550 -0.000 0.000 0.345 642 Y C 0.366 176.311 175.900 0.075 0.000 1.036 642 Y CA -1.039 57.101 58.100 0.067 0.000 1.042 642 Y CB 2.348 40.853 38.460 0.074 0.000 1.289 642 Y HN 0.663 nan 8.280 nan 0.000 0.471 643 I N 0.438 121.170 120.570 0.271 0.000 2.533 643 I HA 0.786 4.955 4.170 -0.000 0.000 0.290 643 I C -1.545 174.760 176.117 0.313 0.000 1.056 643 I CA -1.147 60.282 61.300 0.215 0.000 1.057 643 I CB 1.957 40.017 38.000 0.100 0.000 1.240 643 I HN 0.407 nan 8.210 nan 0.000 0.423 644 V N 5.954 125.954 119.914 0.143 0.000 2.487 644 V HA 0.588 4.708 4.120 -0.000 0.000 0.298 644 V C -0.486 175.577 176.094 -0.051 0.000 1.028 644 V CA 0.101 62.397 62.300 -0.007 0.000 0.860 644 V CB 1.842 33.525 31.823 -0.234 0.000 0.991 644 V HN 1.037 nan 8.190 nan 0.000 0.427 645 E N 6.659 126.820 120.200 -0.066 0.000 2.277 645 E HA 0.652 5.002 4.350 -0.000 0.000 0.266 645 E C -1.251 175.286 176.600 -0.105 0.000 0.901 645 E CA -1.107 55.258 56.400 -0.058 0.000 0.782 645 E CB 2.659 32.369 29.700 0.017 0.000 1.228 645 E HN 0.643 nan 8.360 nan 0.000 0.424 646 I N 1.671 122.191 120.570 -0.084 0.000 2.339 646 I HA 0.248 4.418 4.170 -0.000 0.000 0.290 646 I C -0.046 176.024 176.117 -0.079 0.000 0.994 646 I CA -0.640 60.622 61.300 -0.063 0.000 1.191 646 I CB 1.384 39.360 38.000 -0.039 0.000 1.343 646 I HN 0.623 nan 8.210 nan 0.000 0.458 647 E N 5.284 125.445 120.200 -0.066 0.000 2.191 647 E HA 0.200 4.550 4.350 -0.000 0.000 0.278 647 E C -0.798 175.659 176.600 -0.238 0.000 0.972 647 E CA -0.680 55.649 56.400 -0.120 0.000 0.804 647 E CB 1.382 31.039 29.700 -0.072 0.000 1.110 647 E HN 0.455 nan 8.360 nan 0.000 0.394 648 D N 1.592 121.722 120.400 -0.449 0.000 2.325 648 D HA 0.061 4.701 4.640 -0.000 0.000 0.262 648 D C 0.703 176.874 176.300 -0.214 0.000 1.263 648 D CA 0.175 53.687 54.000 -0.814 0.000 1.020 648 D CB 0.730 41.155 40.800 -0.625 0.000 1.117 648 D HN 0.423 nan 8.370 nan 0.000 0.545 649 T N -0.328 114.195 114.554 -0.051 0.000 3.107 649 T HA 0.066 4.416 4.350 -0.000 0.000 0.249 649 T C 0.939 175.648 174.700 0.015 0.000 1.096 649 T CA 0.331 62.484 62.100 0.088 0.000 1.012 649 T CB 0.224 69.199 68.868 0.178 0.000 0.977 649 T HN 0.316 nan 8.240 nan 0.000 0.527 650 E N 0.211 120.389 120.200 -0.038 0.000 2.514 650 E HA 0.352 4.702 4.350 -0.000 0.000 0.215 650 E C 1.284 177.856 176.600 -0.046 0.000 0.946 650 E CA 0.072 56.453 56.400 -0.032 0.000 1.038 650 E CB 1.021 30.702 29.700 -0.031 0.000 1.069 650 E HN 0.407 nan 8.360 nan 0.000 0.503 651 G N 1.916 110.673 108.800 -0.073 0.000 2.173 651 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.142 651 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.142 651 G C -0.129 174.721 174.900 -0.084 0.000 1.019 651 G CA -0.417 44.644 45.100 -0.065 0.000 0.699 651 G HN 0.193 nan 8.290 nan 0.000 0.495 652 L N 1.705 122.848 121.223 -0.132 0.000 2.385 652 L HA 0.597 4.937 4.340 -0.000 0.000 0.281 652 L C 0.146 176.928 176.870 -0.146 0.000 1.106 652 L CA -0.302 54.456 54.840 -0.137 0.000 0.856 652 L CB 0.121 42.078 42.059 -0.169 0.000 1.186 652 L HN 0.094 nan 8.230 nan 0.000 0.453 653 K N 5.239 125.586 120.400 -0.088 0.000 2.206 653 K HA 0.370 4.690 4.320 -0.000 0.000 0.264 653 K C -0.886 175.684 176.600 -0.050 0.000 0.967 653 K CA -0.540 55.706 56.287 -0.068 0.000 0.844 653 K CB 1.899 34.382 32.500 -0.027 0.000 1.099 653 K HN 0.483 nan 8.250 nan 0.000 0.441 654 E N 3.470 123.639 120.200 -0.051 0.000 2.235 654 E HA 0.136 4.486 4.350 -0.000 0.000 0.252 654 E C -1.018 175.567 176.600 -0.025 0.000 0.886 654 E CA -0.646 55.733 56.400 -0.034 0.000 0.767 654 E CB 1.381 31.058 29.700 -0.038 0.000 1.205 654 E HN 0.259 nan 8.360 nan 0.000 0.421 655 V N 6.383 126.293 119.914 -0.006 0.000 2.540 655 V HA -0.036 4.083 4.120 -0.000 0.000 0.297 655 V C 1.383 177.468 176.094 -0.015 0.000 1.024 655 V CA 0.609 62.909 62.300 0.001 0.000 1.105 655 V CB 0.857 32.689 31.823 0.015 0.000 0.938 655 V HN 0.812 nan 8.190 nan 0.000 0.482 656 I N 4.904 125.456 120.570 -0.029 0.000 3.749 656 I HA 0.115 4.285 4.170 -0.000 0.000 0.314 656 I C 0.268 176.387 176.117 0.005 0.000 1.267 656 I CA 0.214 61.499 61.300 -0.026 0.000 1.169 656 I CB -0.141 37.813 38.000 -0.076 0.000 1.009 656 I HN 0.959 nan 8.210 nan 0.000 0.444 657 N N -0.995 117.698 118.700 -0.013 0.000 3.029 657 N HA 0.017 4.757 4.740 -0.000 0.000 0.198 657 N C -0.826 174.630 175.510 -0.090 0.000 1.444 657 N CA -0.557 52.461 53.050 -0.053 0.000 0.784 657 N CB -0.835 37.623 38.487 -0.049 0.000 1.539 657 N HN -0.153 nan 8.380 nan 0.000 0.582 658 D N 0.869 121.227 120.400 -0.070 0.000 2.856 658 D HA 0.143 4.783 4.640 -0.000 0.000 0.242 658 D C -0.482 175.771 176.300 -0.079 0.000 1.226 658 D CA 0.260 54.227 54.000 -0.055 0.000 0.855 658 D CB 0.176 40.958 40.800 -0.029 0.000 1.065 658 D HN 0.347 nan 8.370 nan 0.000 0.462 659 R N -0.046 120.365 120.500 -0.148 0.000 2.686 659 R HA 0.161 4.501 4.340 -0.000 0.000 0.286 659 R C 0.588 176.757 176.300 -0.218 0.000 0.969 659 R CA -0.820 55.149 56.100 -0.218 0.000 0.898 659 R CB 0.981 31.071 30.300 -0.350 0.000 1.183 659 R HN 0.178 nan 8.270 nan 0.000 0.456 660 Y N -0.104 120.155 120.300 -0.068 0.000 2.403 660 Y HA -0.082 4.468 4.550 -0.000 0.000 0.291 660 Y C 0.562 176.450 175.900 -0.020 0.000 1.143 660 Y CA 0.885 58.968 58.100 -0.029 0.000 1.257 660 Y CB -0.224 38.235 38.460 -0.002 0.000 0.984 660 Y HN 0.490 nan 8.280 nan 0.000 0.550 661 D N -0.256 119.807 120.400 -0.560 0.000 2.894 661 D HA 0.170 4.810 4.640 -0.000 0.000 0.273 661 D C 0.182 176.221 176.300 -0.434 0.000 1.328 661 D CA -0.103 53.633 54.000 -0.439 0.000 0.845 661 D CB -0.470 40.048 40.800 -0.469 0.000 1.072 661 D HN 0.499 nan 8.370 nan 0.000 0.484 662 M N 0.492 119.828 119.600 -0.440 0.000 3.017 662 M HA 0.222 4.702 4.480 -0.000 0.000 0.423 662 M C 0.270 176.386 176.300 -0.307 0.000 1.395 662 M CA -0.026 54.825 55.300 -0.748 0.000 0.816 662 M CB 0.884 32.793 32.600 -1.151 0.000 1.440 662 M HN 0.047 nan 8.290 nan 0.000 0.506 663 L N -0.062 121.109 121.223 -0.087 0.000 2.590 663 L HA 0.132 4.472 4.340 -0.000 0.000 0.227 663 L C 1.363 178.316 176.870 0.140 0.000 1.099 663 L CA -0.028 54.842 54.840 0.049 0.000 0.872 663 L CB -0.568 41.500 42.059 0.015 0.000 1.088 663 L HN 0.401 nan 8.230 nan 0.000 0.479 664 N N 2.604 121.388 118.700 0.142 0.000 2.715 664 N HA -0.084 4.656 4.740 -0.000 0.000 0.254 664 N C 1.133 176.766 175.510 0.205 0.000 1.306 664 N CA 0.288 53.432 53.050 0.156 0.000 0.956 664 N CB -0.480 38.071 38.487 0.106 0.000 1.296 664 N HN 0.653 nan 8.380 nan 0.000 0.512 665 I N -3.926 116.790 120.570 0.243 0.000 2.876 665 I HA 0.064 4.233 4.170 -0.000 0.000 0.264 665 I C 0.874 177.034 176.117 0.073 0.000 1.204 665 I CA -0.198 61.194 61.300 0.153 0.000 1.485 665 I CB -0.263 37.849 38.000 0.188 0.000 1.103 665 I HN 0.044 nan 8.210 nan 0.000 0.446 666 S N 1.943 117.751 115.700 0.180 0.000 2.560 666 S HA 0.286 4.756 4.470 -0.000 0.000 0.284 666 S C 0.174 174.833 174.600 0.098 0.000 1.327 666 S CA 0.077 58.370 58.200 0.155 0.000 1.055 666 S CB 0.134 63.585 63.200 0.418 0.000 0.868 666 S HN 0.634 nan 8.310 nan 0.000 0.506 667 S N 4.790 120.532 115.700 0.070 0.000 2.572 667 S HA 0.507 4.977 4.470 -0.000 0.000 0.274 667 S C -0.514 174.136 174.600 0.084 0.000 1.150 667 S CA -0.961 57.285 58.200 0.077 0.000 0.944 667 S CB 0.754 64.001 63.200 0.078 0.000 1.071 667 S HN 0.698 nan 8.310 nan 0.000 0.479 668 L N 1.869 123.133 121.223 0.069 0.000 2.425 668 L HA 0.580 4.920 4.340 -0.000 0.000 0.225 668 L C 0.536 177.437 176.870 0.051 0.000 1.222 668 L CA -0.396 54.479 54.840 0.058 0.000 0.832 668 L CB 0.557 42.643 42.059 0.044 0.000 1.238 668 L HN 0.924 nan 8.230 nan 0.000 0.533 669 R N -1.259 119.262 120.500 0.035 0.000 2.633 669 R HA 0.075 4.415 4.340 -0.000 0.000 0.255 669 R C 0.129 176.434 176.300 0.010 0.000 1.106 669 R CA -0.447 55.665 56.100 0.021 0.000 0.959 669 R CB 1.110 31.423 30.300 0.022 0.000 1.259 669 R HN 0.641 nan 8.270 nan 0.000 0.453 670 Q N 1.288 121.088 119.800 -0.000 0.000 2.364 670 Q HA -0.201 4.139 4.340 -0.000 0.000 0.209 670 Q C 0.535 176.533 176.000 -0.004 0.000 0.977 670 Q CA 2.066 57.867 55.803 -0.003 0.000 0.885 670 Q CB 0.024 28.757 28.738 -0.009 0.000 0.941 670 Q HN 0.659 nan 8.270 nan 0.000 0.464 671 D N 0.510 120.906 120.400 -0.006 0.000 2.178 671 D HA -0.095 4.545 4.640 -0.000 0.000 0.201 671 D C 1.357 177.657 176.300 0.001 0.000 0.980 671 D CA 2.172 56.168 54.000 -0.007 0.000 0.842 671 D CB -0.254 40.538 40.800 -0.014 0.000 0.948 671 D HN 0.521 nan 8.370 nan 0.000 0.472 672 G N -0.561 108.244 108.800 0.008 0.000 2.195 672 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.224 672 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.224 672 G C 0.251 175.162 174.900 0.019 0.000 0.990 672 G CA 0.216 45.324 45.100 0.013 0.000 0.639 672 G HN 0.460 nan 8.290 nan 0.000 0.514 673 K N 1.000 121.413 120.400 0.020 0.000 2.221 673 K HA 0.636 4.956 4.320 -0.000 0.000 0.243 673 K C 0.216 176.845 176.600 0.049 0.000 0.968 673 K CA -0.049 56.255 56.287 0.029 0.000 0.846 673 K CB 1.628 34.142 32.500 0.023 0.000 1.141 673 K HN 0.270 nan 8.250 nan 0.000 0.434 674 T N -1.264 113.325 114.554 0.058 0.000 2.907 674 T HA 0.521 4.871 4.350 -0.000 0.000 0.284 674 T C -0.691 174.075 174.700 0.110 0.000 1.004 674 T CA -0.695 61.452 62.100 0.078 0.000 1.063 674 T CB 0.564 69.474 68.868 0.071 0.000 0.992 674 T HN 0.446 nan 8.240 nan 0.000 0.483 675 F N 2.866 122.777 119.950 -0.065 0.000 2.499 675 F HA 0.590 5.117 4.527 0.000 0.000 0.333 675 F C -0.917 174.792 175.800 -0.152 0.000 1.138 675 F CA -1.815 56.114 58.000 -0.119 0.000 0.945 675 F CB 0.860 39.795 39.000 -0.109 0.000 1.181 675 F HN 0.600 nan 8.300 nan 0.000 0.435 676 I N 5.324 125.357 120.570 -0.894 0.000 2.471 676 I HA 0.114 4.284 4.170 -0.000 0.000 0.286 676 I C -0.210 175.090 176.117 -1.360 0.000 1.079 676 I CA 0.069 60.835 61.300 -0.889 0.000 1.398 676 I CB 0.443 37.998 38.000 -0.742 0.000 1.403 676 I HN 0.497 nan 8.210 nan 0.000 0.530 677 D N 6.097 126.044 120.400 -0.756 0.000 2.280 677 D HA 0.194 4.834 4.640 -0.000 0.000 0.236 677 D C 0.330 176.555 176.300 -0.126 0.000 1.082 677 D CA -0.275 53.418 54.000 -0.511 0.000 0.834 677 D CB 1.045 41.740 40.800 -0.175 0.000 1.100 677 D HN 0.223 nan 8.370 nan 0.000 0.486 678 F N 2.607 122.451 119.950 -0.177 0.000 2.387 678 F HA 0.111 4.638 4.527 0.000 0.000 0.294 678 F C 2.073 177.850 175.800 -0.038 0.000 1.093 678 F CA 0.362 58.307 58.000 -0.091 0.000 1.420 678 F CB -0.292 38.660 39.000 -0.080 0.000 1.086 678 F HN 0.361 nan 8.300 nan 0.000 0.531 679 K N 0.661 121.153 120.400 0.153 0.000 2.063 679 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 679 K C 2.008 178.613 176.600 0.009 0.000 1.048 679 K CA 1.500 57.836 56.287 0.081 0.000 0.928 679 K CB -0.283 32.253 32.500 0.060 0.000 0.713 679 K HN 0.095 nan 8.250 nan 0.000 0.442 680 K N 0.472 120.831 120.400 -0.069 0.000 2.049 680 K HA -0.236 4.084 4.320 -0.000 0.000 0.219 680 K C 1.175 177.562 176.600 -0.354 0.000 1.056 680 K CA 2.014 58.133 56.287 -0.280 0.000 0.946 680 K CB -0.142 32.093 32.500 -0.442 0.000 0.723 680 K HN 0.188 nan 8.250 nan 0.000 0.453 681 Y N -0.934 119.388 120.300 0.036 0.000 2.507 681 Y HA 0.181 4.731 4.550 -0.000 0.000 0.254 681 Y C 0.613 176.523 175.900 0.016 0.000 1.171 681 Y CA -0.325 57.786 58.100 0.017 0.000 1.238 681 Y CB 0.373 38.837 38.460 0.006 0.000 1.148 681 Y HN 0.122 nan 8.280 nan 0.000 0.525 682 N N 1.122 119.897 118.700 0.125 0.000 2.376 682 N HA 0.027 4.766 4.740 -0.000 0.000 0.249 682 N C -0.836 174.714 175.510 0.067 0.000 1.140 682 N CA 0.191 53.294 53.050 0.088 0.000 0.870 682 N CB -0.508 38.026 38.487 0.077 0.000 1.124 682 N HN 0.090 nan 8.380 nan 0.000 0.505 683 D N 1.096 121.534 120.400 0.064 0.000 2.746 683 D HA -0.276 4.364 4.640 -0.000 0.000 0.236 683 D C 0.637 176.953 176.300 0.027 0.000 1.129 683 D CA 1.218 55.243 54.000 0.042 0.000 0.691 683 D CB -1.097 39.726 40.800 0.039 0.000 1.077 683 D HN 0.789 nan 8.370 nan 0.000 0.432 684 K N -2.306 118.104 120.400 0.017 0.000 3.606 684 K HA -0.288 4.032 4.320 -0.000 0.000 0.279 684 K C -0.404 176.214 176.600 0.031 0.000 1.137 684 K CA 1.476 57.770 56.287 0.012 0.000 1.058 684 K CB -1.356 31.147 32.500 0.005 0.000 1.343 684 K HN 0.438 nan 8.250 nan 0.000 0.462 685 L N 2.029 123.277 121.223 0.042 0.000 2.334 685 L HA 0.482 4.822 4.340 -0.000 0.000 0.277 685 L C -1.954 174.967 176.870 0.085 0.000 1.075 685 L CA -2.499 52.373 54.840 0.053 0.000 0.804 685 L CB 0.960 43.043 42.059 0.041 0.000 1.174 685 L HN -0.037 nan 8.230 nan 0.000 0.438 686 P HA -0.077 nan 4.420 nan 0.000 0.270 686 P C -0.407 176.982 177.300 0.148 0.000 1.221 686 P CA -0.253 62.930 63.100 0.138 0.000 0.788 686 P CB 0.487 32.262 31.700 0.124 0.000 0.904 687 L N 2.858 124.179 121.223 0.164 0.000 2.565 687 L HA 0.079 4.419 4.340 -0.000 0.000 0.275 687 L C -0.311 176.633 176.870 0.125 0.000 1.137 687 L CA -0.434 54.459 54.840 0.089 0.000 0.915 687 L CB -0.627 41.421 42.059 -0.018 0.000 1.232 687 L HN 0.284 nan 8.230 nan 0.000 0.473 688 Y N 7.379 127.692 120.300 0.021 0.000 2.531 688 Y HA 0.301 4.851 4.550 -0.000 0.000 0.347 688 Y C 0.235 176.150 175.900 0.026 0.000 1.024 688 Y CA -1.226 56.889 58.100 0.025 0.000 1.306 688 Y CB 0.143 38.618 38.460 0.025 0.000 1.149 688 Y HN 0.511 nan 8.280 nan 0.000 0.527 689 I N 2.695 123.013 120.570 -0.421 0.000 2.441 689 I HA 0.297 4.467 4.170 -0.000 0.000 0.287 689 I C 0.892 176.522 176.117 -0.812 0.000 1.049 689 I CA 0.141 61.167 61.300 -0.456 0.000 1.381 689 I CB 1.596 39.461 38.000 -0.225 0.000 1.409 689 I HN 0.637 nan 8.210 nan 0.000 0.523 690 S N 3.989 119.361 115.700 -0.546 0.000 2.387 690 S HA 0.010 4.480 4.470 -0.000 0.000 0.221 690 S C 0.688 175.131 174.600 -0.261 0.000 1.041 690 S CA 0.563 58.540 58.200 -0.373 0.000 0.959 690 S CB -0.170 63.001 63.200 -0.048 0.000 0.843 690 S HN 0.860 nan 8.310 nan 0.000 0.488 691 N N 0.307 118.737 118.700 -0.450 0.000 2.519 691 N HA 0.446 5.186 4.740 -0.000 0.000 0.286 691 N C -2.810 172.328 175.510 -0.621 0.000 1.079 691 N CA -1.939 50.775 53.050 -0.561 0.000 0.878 691 N CB 1.899 39.971 38.487 -0.692 0.000 1.375 691 N HN -0.127 nan 8.380 nan 0.000 0.514 692 P HA -0.065 nan 4.420 nan 0.000 0.234 692 P C 0.637 177.899 177.300 -0.064 0.000 1.162 692 P CA 0.765 63.782 63.100 -0.138 0.000 0.759 692 P CB 0.337 32.050 31.700 0.021 0.000 0.813 693 N N -0.061 118.542 118.700 -0.160 0.000 2.148 693 N HA -0.096 4.644 4.740 -0.000 0.000 0.186 693 N C 0.350 175.827 175.510 -0.056 0.000 1.031 693 N CA 0.612 53.663 53.050 0.002 0.000 0.848 693 N CB -0.487 37.990 38.487 -0.015 0.000 1.005 693 N HN 0.181 nan 8.380 nan 0.000 0.427 694 Y N 0.523 120.819 120.300 -0.007 0.000 2.301 694 Y HA 0.360 4.910 4.550 -0.000 0.000 0.325 694 Y C 0.554 176.405 175.900 -0.082 0.000 1.203 694 Y CA -1.417 56.658 58.100 -0.042 0.000 1.255 694 Y CB 0.411 38.850 38.460 -0.034 0.000 1.232 694 Y HN -0.056 nan 8.280 nan 0.000 0.501 695 K N 1.308 121.784 120.400 0.127 0.000 2.102 695 K HA 0.615 4.935 4.320 -0.000 0.000 0.244 695 K C -1.199 175.431 176.600 0.050 0.000 1.021 695 K CA -0.879 55.417 56.287 0.015 0.000 0.913 695 K CB 1.209 33.681 32.500 -0.048 0.000 1.062 695 K HN 0.540 nan 8.250 nan 0.000 0.485 696 V N 2.231 122.175 119.914 0.050 0.000 2.357 696 V HA 0.172 4.292 4.120 -0.000 0.000 0.284 696 V C -0.837 175.323 176.094 0.111 0.000 1.018 696 V CA -1.026 61.304 62.300 0.051 0.000 0.841 696 V CB 0.981 32.835 31.823 0.051 0.000 0.991 696 V HN 0.709 nan 8.190 nan 0.000 0.437 697 N N 3.623 122.300 118.700 -0.037 0.000 2.430 697 N HA 0.661 5.401 4.740 -0.000 0.000 0.292 697 N C -0.811 174.556 175.510 -0.238 0.000 1.051 697 N CA -0.269 52.705 53.050 -0.127 0.000 0.917 697 N CB 2.352 40.650 38.487 -0.316 0.000 1.164 697 N HN 0.380 nan 8.380 nan 0.000 0.484 698 V N 3.147 122.968 119.914 -0.155 0.000 2.709 698 V HA 0.590 4.710 4.120 -0.000 0.000 0.308 698 V C -1.041 175.049 176.094 -0.007 0.000 1.062 698 V CA -0.782 61.460 62.300 -0.096 0.000 0.901 698 V CB 1.379 33.169 31.823 -0.056 0.000 1.003 698 V HN 0.650 nan 8.190 nan 0.000 0.425 699 Y N 1.525 121.880 120.300 0.092 0.000 2.519 699 Y HA 0.872 5.422 4.550 -0.000 0.000 0.336 699 Y C -0.096 175.870 175.900 0.111 0.000 1.089 699 Y CA -1.412 56.732 58.100 0.074 0.000 1.025 699 Y CB 1.593 40.073 38.460 0.034 0.000 1.318 699 Y HN 0.700 nan 8.280 nan 0.000 0.452 700 A N 1.890 124.830 122.820 0.200 0.000 2.304 700 A HA 0.604 4.924 4.320 -0.000 0.000 0.271 700 A C -0.763 176.740 177.584 -0.134 0.000 1.091 700 A CA -0.639 51.356 52.037 -0.069 0.000 0.812 700 A CB 1.412 20.293 19.000 -0.198 0.000 1.056 700 A HN 0.921 nan 8.150 nan 0.000 0.489 701 V N 1.753 121.540 119.914 -0.212 0.000 2.409 701 V HA 0.521 4.641 4.120 -0.000 0.000 0.291 701 V C 0.241 176.262 176.094 -0.122 0.000 1.020 701 V CA -0.199 62.011 62.300 -0.149 0.000 0.848 701 V CB 1.302 33.051 31.823 -0.123 0.000 0.990 701 V HN 0.969 nan 8.190 nan 0.000 0.430 702 T N 6.279 120.781 114.554 -0.086 0.000 2.913 702 T HA 0.197 4.547 4.350 -0.000 0.000 0.297 702 T C 1.259 175.927 174.700 -0.053 0.000 1.029 702 T CA -0.170 61.897 62.100 -0.055 0.000 1.104 702 T CB 1.076 69.918 68.868 -0.043 0.000 0.964 702 T HN 0.818 nan 8.240 nan 0.000 0.532 703 K N 1.583 121.962 120.400 -0.034 0.000 2.103 703 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 703 K C 2.224 178.794 176.600 -0.051 0.000 1.048 703 K CA 1.655 57.922 56.287 -0.033 0.000 0.930 703 K CB 0.031 32.521 32.500 -0.017 0.000 0.716 703 K HN 0.760 nan 8.250 nan 0.000 0.444 704 E N 0.402 120.571 120.200 -0.053 0.000 2.268 704 E HA -0.133 4.216 4.350 -0.000 0.000 0.195 704 E C 0.991 177.541 176.600 -0.083 0.000 0.995 704 E CA 0.884 57.244 56.400 -0.066 0.000 0.836 704 E CB -0.022 29.635 29.700 -0.072 0.000 0.763 704 E HN 0.192 nan 8.360 nan 0.000 0.491 705 N N 0.765 119.414 118.700 -0.085 0.000 2.230 705 N HA 0.049 4.789 4.740 -0.000 0.000 0.202 705 N C -0.495 174.964 175.510 -0.085 0.000 1.119 705 N CA 0.218 53.213 53.050 -0.091 0.000 0.851 705 N CB 0.937 39.366 38.487 -0.097 0.000 0.990 705 N HN 0.045 nan 8.380 nan 0.000 0.497 706 T N 1.585 116.091 114.554 -0.079 0.000 2.901 706 T HA 0.334 4.684 4.350 -0.000 0.000 0.301 706 T C 0.675 175.308 174.700 -0.111 0.000 1.012 706 T CA 0.124 62.184 62.100 -0.066 0.000 1.135 706 T CB 1.185 70.024 68.868 -0.049 0.000 0.936 706 T HN -0.027 nan 8.240 nan 0.000 0.539 707 I N 4.005 124.525 120.570 -0.084 0.000 2.378 707 I HA 0.356 4.526 4.170 -0.000 0.000 0.291 707 I C 1.157 177.147 176.117 -0.212 0.000 0.992 707 I CA -0.624 60.575 61.300 -0.167 0.000 1.154 707 I CB 1.669 39.577 38.000 -0.153 0.000 1.315 707 I HN 0.708 nan 8.210 nan 0.000 0.448 708 I N 1.386 121.717 120.570 -0.398 0.000 4.181 708 I HA 0.384 4.554 4.170 -0.000 0.000 0.331 708 I C -0.142 175.683 176.117 -0.488 0.000 1.312 708 I CA -0.008 61.041 61.300 -0.418 0.000 1.146 708 I CB 0.291 37.949 38.000 -0.571 0.000 1.074 708 I HN 0.452 nan 8.210 nan 0.000 0.402 709 N N 1.687 119.976 118.700 -0.684 0.000 2.249 709 N HA 0.500 5.240 4.740 -0.000 0.000 0.296 709 N C -2.751 172.309 175.510 -0.750 0.000 1.051 709 N CA -1.267 51.378 53.050 -0.676 0.000 0.815 709 N CB 1.998 40.259 38.487 -0.377 0.000 1.487 709 N HN -0.123 nan 8.380 nan 0.000 0.475 710 P HA -0.030 nan 4.420 nan 0.000 0.267 710 P C -0.144 177.031 177.300 -0.208 0.000 1.201 710 P CA -0.132 62.790 63.100 -0.297 0.000 0.775 710 P CB 0.382 32.054 31.700 -0.046 0.000 0.854 711 S N 1.151 116.770 115.700 -0.134 0.000 2.611 711 S HA -0.063 4.407 4.470 -0.000 0.000 0.252 711 S C 1.382 175.934 174.600 -0.080 0.000 1.369 711 S CA 0.173 58.311 58.200 -0.103 0.000 0.975 711 S CB 0.009 63.168 63.200 -0.068 0.000 0.937 711 S HN 0.638 nan 8.310 nan 0.000 0.584 712 E N 0.932 121.093 120.200 -0.066 0.000 2.209 712 E HA -0.262 4.088 4.350 -0.000 0.000 0.196 712 E C 1.107 177.687 176.600 -0.034 0.000 0.993 712 E CA 1.562 57.933 56.400 -0.049 0.000 0.819 712 E CB -0.747 28.928 29.700 -0.042 0.000 0.745 712 E HN 0.661 nan 8.360 nan 0.000 0.477 713 N N 0.791 119.472 118.700 -0.031 0.000 2.453 713 N HA -0.010 4.730 4.740 -0.000 0.000 0.183 713 N C 1.316 176.819 175.510 -0.011 0.000 1.041 713 N CA 1.308 54.347 53.050 -0.018 0.000 0.900 713 N CB 0.047 38.525 38.487 -0.015 0.000 0.961 713 N HN 0.491 nan 8.380 nan 0.000 0.443 714 G N 0.347 109.137 108.800 -0.017 0.000 2.159 714 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.256 714 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.256 714 G C -0.285 174.626 174.900 0.018 0.000 0.977 714 G CA 0.222 45.321 45.100 -0.002 0.000 0.652 714 G HN 0.489 nan 8.290 nan 0.000 0.531 715 D N 0.159 120.564 120.400 0.009 0.000 2.458 715 D HA 0.473 5.113 4.640 -0.000 0.000 0.243 715 D C 1.523 177.867 176.300 0.073 0.000 1.146 715 D CA 1.004 55.020 54.000 0.026 0.000 0.877 715 D CB 0.645 41.450 40.800 0.007 0.000 1.176 715 D HN 0.067 nan 8.370 nan 0.000 0.461 716 T N 1.217 115.832 114.554 0.101 0.000 3.054 716 T HA 0.076 4.425 4.350 -0.000 0.000 0.255 716 T C 0.869 175.642 174.700 0.121 0.000 1.035 716 T CA -0.341 61.873 62.100 0.189 0.000 0.941 716 T CB 0.049 68.975 68.868 0.096 0.000 1.026 716 T HN 0.347 nan 8.240 nan 0.000 0.533 717 S N 1.048 116.787 115.700 0.065 0.000 2.563 717 S HA 0.016 4.486 4.470 -0.000 0.000 0.269 717 S C 1.464 176.087 174.600 0.039 0.000 1.364 717 S CA 0.108 58.326 58.200 0.030 0.000 1.010 717 S CB 0.565 63.773 63.200 0.013 0.000 0.877 717 S HN 0.289 nan 8.310 nan 0.000 0.549 718 T N 2.476 117.036 114.554 0.010 0.000 3.051 718 T HA 0.065 4.415 4.350 -0.000 0.000 0.255 718 T C 0.587 175.275 174.700 -0.020 0.000 1.085 718 T CA 0.308 62.408 62.100 0.000 0.000 1.109 718 T CB -0.413 68.445 68.868 -0.016 0.000 0.921 718 T HN 0.871 nan 8.240 nan 0.000 0.488 719 N N 1.443 120.133 118.700 -0.017 0.000 2.273 719 N HA 0.223 4.963 4.740 -0.000 0.000 0.227 719 N C 1.384 176.871 175.510 -0.037 0.000 1.292 719 N CA 0.948 53.982 53.050 -0.027 0.000 0.875 719 N CB -0.324 38.153 38.487 -0.017 0.000 1.105 719 N HN 0.242 nan 8.380 nan 0.000 0.434 720 G N -0.434 108.339 108.800 -0.046 0.000 2.435 720 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.245 720 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.245 720 G C 0.243 175.102 174.900 -0.069 0.000 1.073 720 G CA 0.393 45.462 45.100 -0.052 0.000 0.638 720 G HN 0.728 nan 8.290 nan 0.000 0.521 721 I N 2.163 122.688 120.570 -0.075 0.000 2.662 721 I HA 0.067 4.237 4.170 -0.000 0.000 0.285 721 I C 1.083 177.125 176.117 -0.126 0.000 1.161 721 I CA 0.240 61.485 61.300 -0.092 0.000 1.415 721 I CB 0.577 38.527 38.000 -0.084 0.000 1.385 721 I HN 0.080 nan 8.210 nan 0.000 0.552 722 K N 8.000 128.330 120.400 -0.117 0.000 2.436 722 K HA 0.071 4.391 4.320 -0.000 0.000 0.282 722 K C -0.266 176.232 176.600 -0.170 0.000 1.044 722 K CA 0.184 56.395 56.287 -0.127 0.000 1.028 722 K CB 0.458 32.895 32.500 -0.105 0.000 0.919 722 K HN 0.521 nan 8.250 nan 0.000 0.474 723 K N 3.206 123.472 120.400 -0.224 0.000 2.400 723 K HA 0.576 4.896 4.320 -0.000 0.000 0.246 723 K C -0.479 176.024 176.600 -0.162 0.000 0.995 723 K CA -0.933 55.162 56.287 -0.320 0.000 0.840 723 K CB 1.534 33.552 32.500 -0.803 0.000 1.293 723 K HN 0.320 nan 8.250 nan 0.000 0.445 724 I N 2.136 122.670 120.570 -0.061 0.000 2.503 724 I HA 0.186 4.356 4.170 -0.000 0.000 0.282 724 I C -0.299 175.935 176.117 0.194 0.000 1.059 724 I CA -0.922 60.416 61.300 0.063 0.000 1.081 724 I CB 1.587 39.605 38.000 0.030 0.000 1.210 724 I HN 0.452 nan 8.210 nan 0.000 0.450 725 L N 6.603 127.977 121.223 0.252 0.000 2.615 725 L HA -0.017 4.323 4.340 -0.000 0.000 0.284 725 L C 1.049 177.991 176.870 0.119 0.000 1.237 725 L CA 0.941 55.906 54.840 0.208 0.000 0.905 725 L CB 0.386 42.513 42.059 0.114 0.000 1.149 725 L HN 0.717 nan 8.230 nan 0.000 0.499 726 I N 0.305 120.936 120.570 0.103 0.000 4.453 726 I HA 0.392 4.562 4.170 -0.000 0.000 0.342 726 I C -0.410 175.820 176.117 0.189 0.000 1.341 726 I CA -0.343 61.007 61.300 0.083 0.000 1.217 726 I CB 0.732 38.663 38.000 -0.116 0.000 1.545 726 I HN 0.383 nan 8.210 nan 0.000 0.557 727 F N 1.910 121.830 119.950 -0.050 0.000 2.725 727 F HA 0.616 5.143 4.527 -0.000 0.000 0.311 727 F C -1.725 174.016 175.800 -0.097 0.000 1.121 727 F CA -0.011 57.956 58.000 -0.055 0.000 0.978 727 F CB 1.799 40.774 39.000 -0.041 0.000 1.274 727 F HN 0.139 nan 8.300 nan 0.000 0.440 728 S N 3.526 118.826 115.700 -0.666 0.000 2.482 728 S HA 0.517 4.987 4.470 -0.000 0.000 0.295 728 S C -2.073 172.201 174.600 -0.544 0.000 1.038 728 S CA -1.078 56.894 58.200 -0.381 0.000 0.968 728 S CB 1.104 64.183 63.200 -0.202 0.000 1.182 728 S HN 0.712 nan 8.310 nan 0.000 0.441 729 K N 2.015 122.192 120.400 -0.372 0.000 2.507 729 K HA 0.427 4.747 4.320 -0.000 0.000 0.251 729 K C 0.298 176.758 176.600 -0.233 0.000 0.943 729 K CA -0.922 55.177 56.287 -0.314 0.000 0.794 729 K CB 2.066 34.386 32.500 -0.298 0.000 1.188 729 K HN 0.494 nan 8.250 nan 0.000 0.428 730 K N 0.778 120.964 120.400 -0.357 0.000 2.304 730 K HA -0.246 4.074 4.320 -0.000 0.000 0.204 730 K C 1.104 177.449 176.600 -0.426 0.000 1.044 730 K CA 1.908 57.950 56.287 -0.409 0.000 0.932 730 K CB -0.046 32.100 32.500 -0.590 0.000 0.735 730 K HN 1.044 nan 8.250 nan 0.000 0.468 731 G N -0.283 108.253 108.800 -0.441 0.000 2.436 731 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.204 731 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.204 731 G C 0.544 175.332 174.900 -0.187 0.000 1.026 731 G CA 0.085 45.042 45.100 -0.239 0.000 0.658 731 G HN 0.273 nan 8.290 nan 0.000 0.499 732 Y N 0.327 120.602 120.300 -0.041 0.000 2.837 732 Y HA 0.580 5.130 4.550 -0.000 0.000 0.498 732 Y C 2.098 177.994 175.900 -0.008 0.000 1.430 732 Y CA 0.698 58.777 58.100 -0.035 0.000 2.159 732 Y CB -0.666 37.767 38.460 -0.044 0.000 1.806 732 Y HN 0.063 nan 8.280 nan 0.000 0.672 733 E N 0.985 121.413 120.200 0.380 0.000 2.136 733 E HA -0.293 4.057 4.350 -0.000 0.000 0.208 733 E C 1.847 178.534 176.600 0.145 0.000 1.035 733 E CA 2.756 59.281 56.400 0.209 0.000 0.838 733 E CB -0.532 29.273 29.700 0.174 0.000 0.748 733 E HN 0.790 nan 8.360 nan 0.000 0.459 734 I N -1.009 119.649 120.570 0.146 0.000 2.099 734 I HA -0.078 4.092 4.170 -0.000 0.000 0.239 734 I C 1.786 177.912 176.117 0.015 0.000 1.066 734 I CA 1.491 62.806 61.300 0.026 0.000 1.324 734 I CB -1.411 36.542 38.000 -0.078 0.000 1.037 734 I HN 0.011 nan 8.210 nan 0.000 0.401 735 G N 0.000 108.781 108.800 -0.032 0.000 5.446 735 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 735 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 735 G CA 0.000 45.138 45.100 0.063 0.000 0.502 735 G HN 0.000 nan 8.290 nan 0.000 0.925