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 3ju4_1_A DATA FIRST_RESID 241 DATA SEQUENCE VPRGSAKGDG VTDDTAALTS ALNDTPVGQK INGNGKTYKV TSLPDISRFI DATA SEQUENCE NTRFVYERIP GQPLYYASEE FVQGELFKIT DTPYYNAWPQ DKAFVYENVI DATA SEQUENCE YAPYMGSDRH GVSRLHVSWV KSGDDGQTWS TPEWLTDLHP DYPTVNYHCM DATA SEQUENCE SMGVCRNRLF AMIETRTLAK NALTNCALWD RPMSRSLHLT GGITKAANQR DATA SEQUENCE YATIHVPDHG LFVGDFVNFS NSAVTGVSGD MTVATVIDKD NFTVLTPNQQ DATA SEQUENCE TSDLNNAGKN WHMGTSFHKS PWRKTDLGLI PSVTEVHSFA TIDNNGFAMG DATA SEQUENCE YHQGDVAPRE VGLFYFPDAF NSPSNYVRRQ IPSEYEPDAS EPCIKYYDGV DATA SEQUENCE LYLITRGTRG DRLGSSLHRS RDIGQTWESL RFPHNVHHTT LPFAKVGDDL DATA SEQUENCE IMFGSERAEN EWEAGAPDDR YKASYPRTFY ARLNVNNWNA DDIEWVNITD DATA SEQUENCE QIYQGGIVNS GVGVGSVVVK DNYIYYMFGG EDHFNPWTYG DNSAKDPFKS DATA SEQUENCE DGHPSDLYCY KMKIGPDNRV SRDFRYGAVP NRAVPVFFDT NGVRTVPAPM DATA SEQUENCE EFTGDLGLGH VTIRASTSSN IRSEVLMEGE YGFIGKSIPT DNPAGQRIIF DATA SEQUENCE CGGEGTSSTT GAQITLYGAN NTDSRRIVYN GDEHLFQSAD VKPYNDNVTA DATA SEQUENCE LGGPSNRFTT AYLGSNPIVT 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 241 V HA 0.000 nan 4.120 nan 0.000 0.244 241 V C 0.000 176.099 176.094 0.008 0.000 1.182 241 V CA 0.000 62.304 62.300 0.006 0.000 1.235 241 V CB 0.000 31.827 31.823 0.006 0.000 1.184 242 P HA 0.459 nan 4.420 nan 0.000 0.271 242 P C -0.842 176.466 177.300 0.013 0.000 1.218 242 P CA -0.490 62.617 63.100 0.011 0.000 0.780 242 P CB 1.015 32.722 31.700 0.011 0.000 0.901 243 R N 0.743 121.252 120.500 0.015 0.000 2.732 243 R HA 0.625 4.967 4.340 0.003 0.000 0.278 243 R C -0.469 175.845 176.300 0.023 0.000 0.976 243 R CA -0.459 55.652 56.100 0.018 0.000 0.963 243 R CB 1.462 31.773 30.300 0.018 0.000 1.150 243 R HN 0.611 nan 8.270 nan 0.000 0.478 244 G N 1.084 109.901 108.800 0.027 0.000 2.389 244 G HA2 0.361 4.323 3.960 0.003 0.000 0.317 244 G HA3 0.361 4.323 3.960 0.003 0.000 0.317 244 G C -0.526 174.400 174.900 0.044 0.000 1.137 244 G CA -0.564 44.556 45.100 0.034 0.000 0.870 244 G HN 0.766 nan 8.290 nan 0.000 0.496 245 S N 0.270 116.000 115.700 0.050 0.000 2.681 245 S HA 0.707 5.178 4.470 0.003 0.000 0.270 245 S C 0.526 175.180 174.600 0.090 0.000 1.209 245 S CA -0.225 58.014 58.200 0.066 0.000 0.988 245 S CB 1.489 64.727 63.200 0.063 0.000 1.006 245 S HN 1.292 nan 8.310 nan 0.000 0.558 246 A N 0.944 123.841 122.820 0.127 0.000 2.488 246 A HA 0.356 4.677 4.320 0.003 0.000 0.249 246 A C 1.060 178.757 177.584 0.190 0.000 1.083 246 A CA -0.511 51.645 52.037 0.199 0.000 0.768 246 A CB 0.081 19.255 19.000 0.290 0.000 1.017 246 A HN 0.744 nan 8.150 nan 0.000 0.496 247 K N 2.044 122.527 120.400 0.138 0.000 2.166 247 K HA 0.097 4.419 4.320 0.003 0.000 0.201 247 K C 1.301 177.862 176.600 -0.066 0.000 1.052 247 K CA 0.982 57.296 56.287 0.045 0.000 0.969 247 K CB -0.367 32.145 32.500 0.020 0.000 0.761 247 K HN 1.626 nan 8.250 nan 0.000 0.459 248 G N 3.821 112.479 108.800 -0.237 0.000 2.323 248 G HA2 -0.239 3.723 3.960 0.003 0.000 0.292 248 G HA3 -0.239 3.723 3.960 0.003 0.000 0.292 248 G C -0.050 174.599 174.900 -0.417 0.000 1.040 248 G CA 0.887 45.493 45.100 -0.823 0.000 0.942 248 G HN 0.460 nan 8.290 nan 0.000 0.506 249 D N -1.816 118.451 120.400 -0.222 0.000 2.433 249 D HA 0.380 5.022 4.640 0.003 0.000 0.211 249 D C 1.745 177.997 176.300 -0.079 0.000 1.114 249 D CA 0.427 54.355 54.000 -0.120 0.000 0.837 249 D CB -0.339 40.423 40.800 -0.063 0.000 0.984 249 D HN 1.420 nan 8.370 nan 0.000 0.505 250 G N -0.422 108.328 108.800 -0.084 0.000 2.168 250 G HA2 -0.311 3.650 3.960 0.003 0.000 0.263 250 G HA3 -0.311 3.650 3.960 0.003 0.000 0.263 250 G C 0.781 175.687 174.900 0.010 0.000 0.977 250 G CA 0.705 45.798 45.100 -0.011 0.000 0.659 250 G HN 0.416 nan 8.290 nan 0.000 0.533 251 V N -0.818 119.097 119.914 0.001 0.000 3.177 251 V HA 0.199 4.320 4.120 0.003 0.000 0.219 251 V C 1.648 177.752 176.094 0.017 0.000 1.344 251 V CA 1.255 63.562 62.300 0.011 0.000 1.324 251 V CB -0.105 31.722 31.823 0.006 0.000 1.165 251 V HN 0.301 nan 8.190 nan 0.000 0.510 252 T N 2.468 117.031 114.554 0.015 0.000 2.934 252 T HA 0.007 4.359 4.350 0.003 0.000 0.306 252 T C -0.121 174.606 174.700 0.044 0.000 1.042 252 T CA 0.602 62.718 62.100 0.027 0.000 1.145 252 T CB 0.190 69.074 68.868 0.027 0.000 0.982 252 T HN 0.368 nan 8.240 nan 0.000 0.544 253 D N 2.220 122.646 120.400 0.044 0.000 2.359 253 D HA 0.039 4.681 4.640 0.003 0.000 0.250 253 D C 0.303 176.644 176.300 0.069 0.000 1.264 253 D CA -0.423 53.609 54.000 0.054 0.000 0.911 253 D CB 0.380 41.203 40.800 0.039 0.000 1.056 253 D HN 0.311 nan 8.370 nan 0.000 0.499 254 D N 2.498 122.960 120.400 0.104 0.000 2.328 254 D HA -0.017 4.625 4.640 0.003 0.000 0.226 254 D C 1.408 177.768 176.300 0.100 0.000 1.066 254 D CA 0.216 54.297 54.000 0.136 0.000 0.861 254 D CB 0.447 41.397 40.800 0.250 0.000 0.912 254 D HN 0.412 nan 8.370 nan 0.000 0.521 255 T N 0.327 114.918 114.554 0.060 0.000 2.684 255 T HA -0.189 4.163 4.350 0.003 0.000 0.267 255 T C 2.052 176.766 174.700 0.023 0.000 1.036 255 T CA 1.594 63.706 62.100 0.021 0.000 1.148 255 T CB -0.055 68.811 68.868 -0.005 0.000 0.863 255 T HN 0.240 nan 8.240 nan 0.000 0.436 256 A N 1.367 124.204 122.820 0.028 0.000 1.902 256 A HA 0.198 4.520 4.320 0.003 0.000 0.217 256 A C 2.647 180.252 177.584 0.035 0.000 1.181 256 A CA 1.813 53.864 52.037 0.024 0.000 0.623 256 A CB -1.099 17.914 19.000 0.022 0.000 0.818 256 A HN 0.515 nan 8.150 nan 0.000 0.443 257 A N -0.363 122.488 122.820 0.052 0.000 1.930 257 A HA 0.019 4.340 4.320 0.003 0.000 0.217 257 A C 2.156 179.781 177.584 0.068 0.000 1.175 257 A CA 1.396 53.470 52.037 0.061 0.000 0.627 257 A CB -0.540 18.509 19.000 0.082 0.000 0.815 257 A HN 0.465 nan 8.150 nan 0.000 0.443 258 L N -0.935 120.337 121.223 0.082 0.000 2.056 258 L HA -0.136 4.205 4.340 0.003 0.000 0.207 258 L C 2.771 179.694 176.870 0.087 0.000 1.078 258 L CA 1.658 56.567 54.840 0.114 0.000 0.749 258 L CB -0.908 41.228 42.059 0.129 0.000 0.901 258 L HN 0.315 nan 8.230 nan 0.000 0.433 259 T N -1.151 113.428 114.554 0.043 0.000 2.720 259 T HA -0.231 4.121 4.350 0.003 0.000 0.268 259 T C 2.170 176.877 174.700 0.012 0.000 1.037 259 T CA 1.794 63.904 62.100 0.017 0.000 1.144 259 T CB -0.183 68.683 68.868 -0.003 0.000 0.864 259 T HN 0.294 nan 8.240 nan 0.000 0.444 260 S N 0.876 116.586 115.700 0.017 0.000 2.359 260 S HA -0.131 4.340 4.470 0.003 0.000 0.224 260 S C 2.403 177.006 174.600 0.005 0.000 1.035 260 S CA 1.511 59.717 58.200 0.010 0.000 1.018 260 S CB -0.598 62.611 63.200 0.016 0.000 0.876 260 S HN 0.528 nan 8.310 nan 0.000 0.448 261 A N 1.322 124.151 122.820 0.014 0.000 1.877 261 A HA 0.011 4.333 4.320 0.003 0.000 0.216 261 A C 2.248 179.810 177.584 -0.038 0.000 1.186 261 A CA 1.610 53.644 52.037 -0.005 0.000 0.620 261 A CB -0.903 18.105 19.000 0.012 0.000 0.822 261 A HN 0.580 nan 8.150 nan 0.000 0.443 262 L N -0.254 120.950 121.223 -0.032 0.000 2.012 262 L HA -0.230 4.111 4.340 0.003 0.000 0.210 262 L C 2.258 179.096 176.870 -0.053 0.000 1.073 262 L CA 1.420 56.221 54.840 -0.066 0.000 0.748 262 L CB -0.654 41.383 42.059 -0.037 0.000 0.891 262 L HN 0.347 nan 8.230 nan 0.000 0.431 263 N N -0.277 118.404 118.700 -0.032 0.000 2.223 263 N HA -0.153 4.588 4.740 0.003 0.000 0.185 263 N C 1.106 176.599 175.510 -0.029 0.000 1.016 263 N CA 1.157 54.190 53.050 -0.029 0.000 0.863 263 N CB -0.243 38.232 38.487 -0.019 0.000 0.983 263 N HN 0.319 nan 8.380 nan 0.000 0.429 264 D N -0.761 119.622 120.400 -0.029 0.000 2.349 264 D HA 0.088 4.730 4.640 0.003 0.000 0.214 264 D C -0.164 176.116 176.300 -0.034 0.000 1.063 264 D CA 0.400 54.384 54.000 -0.026 0.000 0.847 264 D CB 0.364 41.154 40.800 -0.017 0.000 0.933 264 D HN 0.024 nan 8.370 nan 0.000 0.513 265 T N 1.592 116.116 114.554 -0.049 0.000 2.829 265 T HA 0.438 4.790 4.350 0.003 0.000 0.280 265 T C -2.488 172.175 174.700 -0.062 0.000 0.999 265 T CA -1.469 60.594 62.100 -0.061 0.000 0.983 265 T CB 2.319 71.133 68.868 -0.090 0.000 0.968 265 T HN -0.209 nan 8.240 nan 0.000 0.446 266 P HA 0.035 nan 4.420 nan 0.000 0.267 266 P C 1.291 178.552 177.300 -0.064 0.000 1.200 266 P CA -0.398 62.672 63.100 -0.050 0.000 0.772 266 P CB 0.403 32.078 31.700 -0.041 0.000 0.855 267 V N 0.558 120.437 119.914 -0.057 0.000 2.720 267 V HA -0.074 4.047 4.120 0.003 0.000 0.256 267 V C 1.773 177.828 176.094 -0.064 0.000 1.082 267 V CA 2.052 64.313 62.300 -0.065 0.000 1.101 267 V CB -1.698 30.095 31.823 -0.051 0.000 0.693 267 V HN 0.650 nan 8.190 nan 0.000 0.479 268 G N -0.413 108.357 108.800 -0.052 0.000 2.880 268 G HA2 0.027 3.989 3.960 0.003 0.000 0.209 268 G HA3 0.027 3.989 3.960 0.003 0.000 0.209 268 G C 0.722 175.591 174.900 -0.051 0.000 1.157 268 G CA 0.198 45.271 45.100 -0.044 0.000 0.779 268 G HN 0.592 nan 8.290 nan 0.000 0.539 269 Q N 1.503 121.264 119.800 -0.065 0.000 2.311 269 Q HA 0.192 4.534 4.340 0.003 0.000 0.272 269 Q C -0.115 175.829 176.000 -0.094 0.000 1.012 269 Q CA 0.057 55.817 55.803 -0.071 0.000 0.891 269 Q CB 0.565 29.255 28.738 -0.079 0.000 1.201 269 Q HN -0.046 nan 8.270 nan 0.000 0.391 270 K N 5.369 125.728 120.400 -0.068 0.000 2.284 270 K HA 0.242 4.563 4.320 0.003 0.000 0.287 270 K C -0.427 176.122 176.600 -0.084 0.000 1.081 270 K CA -0.170 56.078 56.287 -0.066 0.000 0.910 270 K CB 0.251 32.742 32.500 -0.016 0.000 1.088 270 K HN 0.676 nan 8.250 nan 0.000 0.478 271 I N 2.965 123.429 120.570 -0.177 0.000 2.379 271 I HA -0.005 4.167 4.170 0.003 0.000 0.290 271 I C 0.753 176.870 176.117 -0.001 0.000 1.063 271 I CA -0.363 60.833 61.300 -0.174 0.000 1.351 271 I CB 0.262 37.984 38.000 -0.464 0.000 1.410 271 I HN 0.351 nan 8.210 nan 0.000 0.505 272 N N 5.270 123.996 118.700 0.043 0.000 2.422 272 N HA 0.154 4.896 4.740 0.003 0.000 0.264 272 N C 0.818 176.411 175.510 0.138 0.000 1.063 272 N CA -0.032 53.078 53.050 0.099 0.000 0.959 272 N CB 1.846 40.376 38.487 0.072 0.000 1.087 272 N HN 0.760 nan 8.380 nan 0.000 0.483 273 G N 2.440 111.349 108.800 0.183 0.000 2.920 273 G HA2 -0.142 3.820 3.960 0.003 0.000 0.208 273 G HA3 -0.142 3.820 3.960 0.003 0.000 0.208 273 G C 0.762 175.836 174.900 0.290 0.000 1.159 273 G CA -0.169 45.065 45.100 0.222 0.000 0.784 273 G HN 0.816 nan 8.290 nan 0.000 0.535 274 N N -0.969 117.849 118.700 0.197 0.000 2.741 274 N HA -0.183 4.558 4.740 0.003 0.000 0.250 274 N C 1.433 177.032 175.510 0.148 0.000 1.115 274 N CA 1.712 54.850 53.050 0.148 0.000 0.724 274 N CB -1.357 37.209 38.487 0.131 0.000 1.090 274 N HN 1.119 nan 8.380 nan 0.000 0.558 275 G N -1.639 107.289 108.800 0.214 0.000 2.168 275 G HA2 -0.375 3.587 3.960 0.003 0.000 0.263 275 G HA3 -0.375 3.587 3.960 0.003 0.000 0.263 275 G C 0.174 175.266 174.900 0.319 0.000 0.977 275 G CA 0.972 46.227 45.100 0.257 0.000 0.659 275 G HN 0.672 nan 8.290 nan 0.000 0.533 276 K N 0.088 120.610 120.400 0.204 0.000 2.098 276 K HA 0.573 4.895 4.320 0.003 0.000 0.244 276 K C -0.046 176.474 176.600 -0.133 0.000 1.014 276 K CA -0.164 56.101 56.287 -0.037 0.000 0.917 276 K CB 0.791 33.124 32.500 -0.278 0.000 1.072 276 K HN 0.071 nan 8.250 nan 0.000 0.477 277 T N 1.683 116.060 114.554 -0.295 0.000 2.771 277 T HA 0.337 4.689 4.350 0.003 0.000 0.281 277 T C -1.108 173.353 174.700 -0.399 0.000 0.982 277 T CA -0.508 61.450 62.100 -0.237 0.000 0.978 277 T CB 0.152 68.990 68.868 -0.050 0.000 0.930 277 T HN 0.267 nan 8.240 nan 0.000 0.447 278 Y N 1.905 122.133 120.300 -0.119 0.000 2.328 278 Y HA 0.422 4.973 4.550 0.003 0.000 0.333 278 Y C 0.514 176.455 175.900 0.069 0.000 0.958 278 Y CA -1.124 56.961 58.100 -0.026 0.000 1.167 278 Y CB 1.304 39.736 38.460 -0.047 0.000 1.151 278 Y HN 0.463 nan 8.280 nan 0.000 0.470 279 K N 3.783 124.275 120.400 0.154 0.000 2.368 279 K HA 0.505 4.827 4.320 0.003 0.000 0.282 279 K C -0.791 175.894 176.600 0.142 0.000 1.035 279 K CA -0.340 56.023 56.287 0.128 0.000 0.973 279 K CB 0.423 32.966 32.500 0.070 0.000 0.957 279 K HN 0.568 nan 8.250 nan 0.000 0.474 280 V N 0.503 120.489 119.914 0.120 0.000 3.078 280 V HA 0.402 4.524 4.120 0.003 0.000 0.311 280 V C 0.624 176.753 176.094 0.058 0.000 1.138 280 V CA -0.291 62.034 62.300 0.041 0.000 1.007 280 V CB 1.399 33.175 31.823 -0.079 0.000 1.045 280 V HN 0.897 nan 8.190 nan 0.000 0.432 281 T N -1.508 113.051 114.554 0.008 0.000 3.067 281 T HA 0.323 4.674 4.350 0.003 0.000 0.257 281 T C 0.678 175.386 174.700 0.015 0.000 1.105 281 T CA 0.716 62.852 62.100 0.061 0.000 1.104 281 T CB -0.363 68.522 68.868 0.028 0.000 0.925 281 T HN 1.760 nan 8.240 nan 0.000 0.498 282 S N 0.042 115.573 115.700 -0.282 0.000 2.565 282 S HA 0.604 5.076 4.470 0.003 0.000 0.269 282 S C -1.070 173.056 174.600 -0.790 0.000 1.153 282 S CA -1.221 56.568 58.200 -0.685 0.000 0.835 282 S CB 0.852 63.837 63.200 -0.358 0.000 1.122 282 S HN 0.260 nan 8.310 nan 0.000 0.462 283 L N 2.724 123.334 121.223 -1.022 0.000 2.410 283 L HA 0.382 4.724 4.340 0.003 0.000 0.273 283 L C -1.388 175.106 176.870 -0.626 0.000 1.152 283 L CA -1.291 53.027 54.840 -0.870 0.000 0.855 283 L CB 0.125 41.678 42.059 -0.842 0.000 1.129 283 L HN 0.638 nan 8.230 nan 0.000 0.463 284 P HA 0.049 nan 4.420 nan 0.000 0.312 284 P C -0.828 176.298 177.300 -0.291 0.000 1.308 284 P CA -0.504 62.354 63.100 -0.403 0.000 0.743 284 P CB 0.513 31.994 31.700 -0.365 0.000 1.364 285 D N -0.236 120.112 120.400 -0.085 0.000 2.455 285 D HA 0.086 4.728 4.640 0.003 0.000 0.234 285 D C 1.292 177.669 176.300 0.128 0.000 1.224 285 D CA -0.020 53.972 54.000 -0.014 0.000 0.999 285 D CB -0.890 39.911 40.800 0.001 0.000 1.072 285 D HN 0.153 nan 8.370 nan 0.000 0.514 286 I N 1.537 122.125 120.570 0.030 0.000 2.361 286 I HA -0.294 3.877 4.170 0.003 0.000 0.251 286 I C 2.361 178.647 176.117 0.283 0.000 1.133 286 I CA 0.921 62.324 61.300 0.171 0.000 1.413 286 I CB -0.226 37.798 38.000 0.040 0.000 1.073 286 I HN 0.342 nan 8.210 nan 0.000 0.424 287 S N 1.102 116.884 115.700 0.137 0.000 2.440 287 S HA -0.179 4.292 4.470 0.003 0.000 0.238 287 S C 1.937 176.586 174.600 0.081 0.000 1.010 287 S CA 0.892 59.148 58.200 0.094 0.000 0.972 287 S CB -0.437 62.779 63.200 0.027 0.000 0.774 287 S HN 0.471 nan 8.310 nan 0.000 0.501 288 R N -0.427 120.112 120.500 0.065 0.000 2.310 288 R HA 0.329 4.671 4.340 0.003 0.000 0.202 288 R C -0.706 175.439 176.300 -0.257 0.000 0.933 288 R CA 0.051 56.074 56.100 -0.129 0.000 1.054 288 R CB 0.013 30.164 30.300 -0.249 0.000 0.985 288 R HN 0.404 nan 8.270 nan 0.000 0.489 289 F N 0.875 120.859 119.950 0.056 0.000 2.507 289 F HA 0.469 4.998 4.527 0.003 0.000 0.327 289 F C 0.450 176.290 175.800 0.067 0.000 1.068 289 F CA -1.400 56.639 58.000 0.064 0.000 0.965 289 F CB 1.266 40.339 39.000 0.122 0.000 1.192 289 F HN -0.198 nan 8.300 nan 0.000 0.476 290 I N -0.615 120.096 120.570 0.235 0.000 2.740 290 I HA 0.584 4.755 4.170 0.003 0.000 0.303 290 I C -0.102 176.141 176.117 0.209 0.000 1.044 290 I CA -1.196 60.217 61.300 0.188 0.000 1.064 290 I CB 1.841 39.910 38.000 0.116 0.000 1.249 290 I HN 0.659 nan 8.210 nan 0.000 0.433 291 N N 1.734 120.571 118.700 0.228 0.000 2.727 291 N HA -0.165 4.577 4.740 0.003 0.000 0.249 291 N C -1.167 174.560 175.510 0.363 0.000 1.048 291 N CA 1.297 54.512 53.050 0.276 0.000 0.714 291 N CB -0.850 37.732 38.487 0.159 0.000 0.959 291 N HN 0.965 nan 8.380 nan 0.000 0.544 292 T N 0.437 115.153 114.554 0.269 0.000 2.893 292 T HA 0.500 4.851 4.350 0.003 0.000 0.293 292 T C -0.254 174.122 174.700 -0.540 0.000 1.027 292 T CA -0.730 61.318 62.100 -0.087 0.000 0.988 292 T CB 2.212 70.881 68.868 -0.331 0.000 1.043 292 T HN 0.330 nan 8.240 nan 0.000 0.461 293 R N 1.538 121.564 120.500 -0.790 0.000 2.670 293 R HA 0.683 5.024 4.340 0.003 0.000 0.289 293 R C -1.553 174.356 176.300 -0.653 0.000 0.965 293 R CA -0.663 54.910 56.100 -0.879 0.000 0.899 293 R CB 0.921 30.536 30.300 -1.141 0.000 1.173 293 R HN 0.473 nan 8.270 nan 0.000 0.456 294 F N 2.428 122.352 119.950 -0.044 0.000 2.450 294 F HA 0.487 5.016 4.527 0.003 0.000 0.332 294 F C -0.072 175.788 175.800 0.099 0.000 1.093 294 F CA -0.818 57.198 58.000 0.027 0.000 1.003 294 F CB 1.950 40.913 39.000 -0.061 0.000 1.151 294 F HN 0.097 nan 8.300 nan 0.000 0.474 295 V N 4.680 124.716 119.914 0.204 0.000 2.495 295 V HA 0.578 4.700 4.120 0.003 0.000 0.298 295 V C -1.885 174.284 176.094 0.126 0.000 1.031 295 V CA -0.686 61.589 62.300 -0.041 0.000 0.871 295 V CB 1.573 33.230 31.823 -0.278 0.000 0.988 295 V HN 0.741 nan 8.190 nan 0.000 0.432 296 Y N 4.170 124.452 120.300 -0.030 0.000 2.479 296 Y HA 0.534 5.086 4.550 0.003 0.000 0.338 296 Y C -0.398 175.499 175.900 -0.005 0.000 1.055 296 Y CA -0.654 57.433 58.100 -0.022 0.000 1.023 296 Y CB 2.076 40.478 38.460 -0.098 0.000 1.287 296 Y HN 0.664 nan 8.280 nan 0.000 0.447 297 E N 6.389 126.349 120.200 -0.401 0.000 2.079 297 E HA 0.189 4.541 4.350 0.003 0.000 0.252 297 E C 0.679 176.827 176.600 -0.753 0.000 0.992 297 E CA -0.410 55.715 56.400 -0.459 0.000 0.829 297 E CB 0.977 30.550 29.700 -0.213 0.000 1.158 297 E HN 0.665 nan 8.360 nan 0.000 0.435 298 R N 2.381 122.232 120.500 -1.082 0.000 2.103 298 R HA -0.101 4.241 4.340 0.003 0.000 0.242 298 R C 0.487 176.621 176.300 -0.276 0.000 1.142 298 R CA 1.103 56.771 56.100 -0.719 0.000 0.960 298 R CB 0.279 30.370 30.300 -0.349 0.000 0.858 298 R HN 0.329 nan 8.270 nan 0.000 0.439 299 I N 2.570 123.005 120.570 -0.225 0.000 2.330 299 I HA 0.305 4.477 4.170 0.003 0.000 0.289 299 I C -2.283 173.741 176.117 -0.155 0.000 1.001 299 I CA -3.420 57.795 61.300 -0.141 0.000 1.193 299 I CB 1.001 38.936 38.000 -0.107 0.000 1.345 299 I HN -0.079 nan 8.210 nan 0.000 0.461 300 P HA 0.138 nan 4.420 nan 0.000 0.262 300 P C 0.927 178.170 177.300 -0.096 0.000 1.182 300 P CA 0.789 63.833 63.100 -0.093 0.000 0.761 300 P CB 0.565 32.231 31.700 -0.056 0.000 0.795 301 G N 2.379 111.125 108.800 -0.090 0.000 2.175 301 G HA2 -0.249 3.713 3.960 0.003 0.000 0.244 301 G HA3 -0.249 3.713 3.960 0.003 0.000 0.244 301 G C 0.107 174.908 174.900 -0.166 0.000 0.982 301 G CA -0.310 44.744 45.100 -0.076 0.000 0.641 301 G HN 0.588 nan 8.290 nan 0.000 0.527 302 Q N 1.056 120.716 119.800 -0.233 0.000 2.965 302 Q HA 0.270 4.612 4.340 0.003 0.000 0.288 302 Q C -2.684 173.205 176.000 -0.184 0.000 0.974 302 Q CA -1.701 53.897 55.803 -0.342 0.000 0.849 302 Q CB 2.332 30.824 28.738 -0.409 0.000 1.280 302 Q HN 0.374 nan 8.270 nan 0.000 0.441 303 P HA 0.093 nan 4.420 nan 0.000 0.271 303 P C -0.615 176.598 177.300 -0.145 0.000 1.216 303 P CA 0.278 63.281 63.100 -0.162 0.000 0.771 303 P CB 1.108 32.714 31.700 -0.157 0.000 0.864 304 L N 2.979 124.085 121.223 -0.195 0.000 2.327 304 L HA 0.526 4.867 4.340 0.003 0.000 0.258 304 L C -0.431 176.242 176.870 -0.328 0.000 1.024 304 L CA -1.116 53.635 54.840 -0.148 0.000 0.825 304 L CB 1.549 43.554 42.059 -0.089 0.000 1.386 304 L HN 0.288 nan 8.230 nan 0.000 0.417 305 Y N -0.280 119.911 120.300 -0.181 0.000 2.468 305 Y HA 0.597 5.148 4.550 0.003 0.000 0.342 305 Y C -1.095 174.572 175.900 -0.389 0.000 1.021 305 Y CA -0.705 57.326 58.100 -0.115 0.000 1.079 305 Y CB 1.725 40.120 38.460 -0.107 0.000 1.226 305 Y HN 0.208 nan 8.280 nan 0.000 0.460 306 Y N 0.531 120.929 120.300 0.163 0.000 2.354 306 Y HA 0.664 5.216 4.550 0.003 0.000 0.330 306 Y C -0.300 175.629 175.900 0.047 0.000 1.011 306 Y CA -1.299 56.868 58.100 0.111 0.000 1.099 306 Y CB 1.733 40.276 38.460 0.138 0.000 1.179 306 Y HN 0.694 nan 8.280 nan 0.000 0.442 307 A N 2.343 125.236 122.820 0.122 0.000 2.301 307 A HA 0.604 4.926 4.320 0.003 0.000 0.298 307 A C 0.302 177.976 177.584 0.150 0.000 1.185 307 A CA -0.498 51.572 52.037 0.056 0.000 0.830 307 A CB 0.241 19.340 19.000 0.166 0.000 1.112 307 A HN 0.771 nan 8.150 nan 0.000 0.508 308 S N 2.620 118.399 115.700 0.133 0.000 2.617 308 S HA 0.223 4.695 4.470 0.003 0.000 0.259 308 S C 0.129 174.860 174.600 0.218 0.000 1.301 308 S CA -0.533 57.792 58.200 0.208 0.000 0.984 308 S CB 0.250 63.591 63.200 0.235 0.000 0.954 308 S HN 0.690 nan 8.310 nan 0.000 0.572 309 E N 1.041 121.357 120.200 0.193 0.000 2.437 309 E HA -0.004 4.348 4.350 0.003 0.000 0.263 309 E C 0.380 177.090 176.600 0.182 0.000 1.030 309 E CA 0.581 57.082 56.400 0.168 0.000 0.934 309 E CB 0.043 29.817 29.700 0.123 0.000 0.943 309 E HN 0.813 nan 8.360 nan 0.000 0.444 310 E N 0.129 120.425 120.200 0.159 0.000 3.286 310 E HA -0.287 4.064 4.350 0.003 0.000 0.292 310 E C 0.415 177.110 176.600 0.158 0.000 0.928 310 E CA 0.512 56.989 56.400 0.128 0.000 0.982 310 E CB -1.589 28.169 29.700 0.098 0.000 1.500 310 E HN 0.549 nan 8.360 nan 0.000 0.441 311 F N 0.773 120.771 119.950 0.080 0.000 2.220 311 F HA 0.092 4.621 4.527 0.003 0.000 0.290 311 F C 0.982 176.826 175.800 0.073 0.000 1.080 311 F CA 0.689 58.731 58.000 0.069 0.000 1.318 311 F CB 0.703 39.743 39.000 0.066 0.000 1.063 311 F HN -0.133 nan 8.300 nan 0.000 0.498 312 V N 1.768 121.761 119.914 0.132 0.000 2.612 312 V HA 0.226 4.347 4.120 0.003 0.000 0.301 312 V C -0.385 175.753 176.094 0.073 0.000 1.046 312 V CA -0.897 61.441 62.300 0.063 0.000 0.946 312 V CB 1.481 33.404 31.823 0.167 0.000 1.003 312 V HN 0.033 nan 8.190 nan 0.000 0.459 313 Q N 2.619 122.437 119.800 0.030 0.000 2.402 313 Q HA 0.539 4.881 4.340 0.003 0.000 0.238 313 Q C 0.315 176.366 176.000 0.085 0.000 1.126 313 Q CA 0.041 55.874 55.803 0.049 0.000 0.904 313 Q CB 0.914 29.664 28.738 0.021 0.000 1.357 313 Q HN 0.975 nan 8.270 nan 0.000 0.491 314 G N 1.815 110.666 108.800 0.085 0.000 2.623 314 G HA2 0.497 4.459 3.960 0.003 0.000 0.290 314 G HA3 0.497 4.459 3.960 0.003 0.000 0.290 314 G C -1.828 172.960 174.900 -0.187 0.000 1.437 314 G CA -0.473 44.614 45.100 -0.021 0.000 0.798 314 G HN 0.406 nan 8.290 nan 0.000 0.488 315 E N -0.717 119.132 120.200 -0.585 0.000 2.375 315 E HA 0.477 4.829 4.350 0.003 0.000 0.280 315 E C -1.840 174.429 176.600 -0.552 0.000 0.972 315 E CA -0.783 55.356 56.400 -0.434 0.000 0.782 315 E CB 2.591 32.117 29.700 -0.291 0.000 1.229 315 E HN 0.470 nan 8.360 nan 0.000 0.439 316 L N 3.907 124.977 121.223 -0.256 0.000 2.334 316 L HA 0.587 4.928 4.340 0.003 0.000 0.277 316 L C -1.576 175.199 176.870 -0.158 0.000 1.075 316 L CA 0.140 54.990 54.840 0.017 0.000 0.804 316 L CB 0.584 42.763 42.059 0.200 0.000 1.174 316 L HN 0.488 nan 8.230 nan 0.000 0.438 317 F N 3.300 123.280 119.950 0.050 0.000 2.546 317 F HA 0.485 5.014 4.527 0.003 0.000 0.320 317 F C 0.014 175.773 175.800 -0.068 0.000 1.076 317 F CA -0.788 57.212 58.000 -0.000 0.000 0.928 317 F CB 1.633 40.642 39.000 0.016 0.000 1.189 317 F HN 0.333 nan 8.300 nan 0.000 0.465 318 K N 3.493 123.884 120.400 -0.016 0.000 2.201 318 K HA 0.445 4.766 4.320 0.003 0.000 0.278 318 K C 0.412 176.749 176.600 -0.438 0.000 1.027 318 K CA -0.244 55.772 56.287 -0.450 0.000 0.909 318 K CB 0.729 32.982 32.500 -0.412 0.000 1.062 318 K HN 0.834 nan 8.250 nan 0.000 0.465 319 I N -0.028 120.124 120.570 -0.697 0.000 4.456 319 I HA 0.167 4.339 4.170 0.003 0.000 0.329 319 I C 0.038 175.832 176.117 -0.539 0.000 1.313 319 I CA -0.376 60.460 61.300 -0.773 0.000 1.205 319 I CB 0.976 38.039 38.000 -1.560 0.000 1.179 319 I HN 0.469 nan 8.210 nan 0.000 0.419 320 T N -1.834 112.400 114.554 -0.533 0.000 2.916 320 T HA 0.580 4.932 4.350 0.003 0.000 0.292 320 T C -0.949 173.575 174.700 -0.294 0.000 1.055 320 T CA -0.421 61.468 62.100 -0.351 0.000 1.009 320 T CB 2.541 71.176 68.868 -0.388 0.000 1.118 320 T HN 0.129 nan 8.240 nan 0.000 0.497 321 D N 1.175 121.484 120.400 -0.152 0.000 2.934 321 D HA 0.286 4.927 4.640 0.003 0.000 0.249 321 D C -0.587 175.706 176.300 -0.012 0.000 1.293 321 D CA -0.148 53.793 54.000 -0.098 0.000 0.812 321 D CB 0.658 41.406 40.800 -0.086 0.000 1.439 321 D HN 0.927 nan 8.370 nan 0.000 0.555 322 T N -1.071 113.497 114.554 0.023 0.000 2.916 322 T HA 0.648 5.000 4.350 0.003 0.000 0.292 322 T C -2.167 172.584 174.700 0.085 0.000 1.055 322 T CA -1.911 60.255 62.100 0.111 0.000 1.009 322 T CB 2.286 71.303 68.868 0.248 0.000 1.118 322 T HN -0.206 nan 8.240 nan 0.000 0.497 323 P HA 0.127 nan 4.420 nan 0.000 0.229 323 P C -0.095 177.136 177.300 -0.117 0.000 1.160 323 P CA 0.331 63.352 63.100 -0.132 0.000 0.777 323 P CB -0.264 31.250 31.700 -0.309 0.000 0.814 324 Y N -1.377 118.979 120.300 0.093 0.000 2.459 324 Y HA -0.029 4.523 4.550 0.003 0.000 0.349 324 Y C 1.021 177.064 175.900 0.239 0.000 1.266 324 Y CA -0.293 57.928 58.100 0.202 0.000 1.483 324 Y CB -0.141 38.486 38.460 0.277 0.000 1.362 324 Y HN -0.091 nan 8.280 nan 0.000 0.628 325 Y N 3.453 123.924 120.300 0.285 0.000 2.680 325 Y HA 0.059 4.610 4.550 0.003 0.000 0.356 325 Y C -0.490 175.509 175.900 0.164 0.000 1.122 325 Y CA -0.720 57.456 58.100 0.128 0.000 1.509 325 Y CB -0.420 38.020 38.460 -0.033 0.000 1.245 325 Y HN 0.492 nan 8.280 nan 0.000 0.513 326 N N 5.553 124.391 118.700 0.230 0.000 2.457 326 N HA 0.588 5.329 4.740 0.003 0.000 0.250 326 N C -0.857 174.615 175.510 -0.064 0.000 0.982 326 N CA -0.080 53.082 53.050 0.187 0.000 0.941 326 N CB 1.639 40.113 38.487 -0.022 0.000 1.120 326 N HN 0.674 nan 8.380 nan 0.000 0.505 327 A N 1.008 123.802 122.820 -0.042 0.000 2.515 327 A HA 0.654 4.976 4.320 0.003 0.000 0.299 327 A C -1.300 176.251 177.584 -0.055 0.000 1.179 327 A CA -0.708 51.043 52.037 -0.476 0.000 0.656 327 A CB 0.723 18.953 19.000 -1.283 0.000 1.306 327 A HN 0.595 nan 8.150 nan 0.000 0.459 328 W N -2.407 119.005 121.300 0.187 0.000 5.820 328 W HA -0.107 4.555 4.660 0.003 0.000 0.415 328 W C -2.294 174.331 176.519 0.178 0.000 1.627 328 W CA 0.209 57.655 57.345 0.169 0.000 0.991 328 W CB -2.267 27.255 29.460 0.103 0.000 2.842 328 W HN 0.548 nan 8.180 nan 0.000 1.416 329 P HA -0.182 nan 4.420 nan 0.000 0.222 329 P C 1.137 178.592 177.300 0.258 0.000 1.147 329 P CA 1.771 65.025 63.100 0.257 0.000 0.790 329 P CB 0.147 31.943 31.700 0.160 0.000 0.780 330 Q N 0.824 120.809 119.800 0.308 0.000 2.310 330 Q HA -0.050 4.292 4.340 0.003 0.000 0.315 330 Q C -0.385 175.705 176.000 0.150 0.000 1.081 330 Q CA 0.319 56.302 55.803 0.299 0.000 0.981 330 Q CB -0.180 28.863 28.738 0.508 0.000 1.184 330 Q HN -0.046 nan 8.270 nan 0.000 0.389 331 D N 2.220 122.566 120.400 -0.090 0.000 2.460 331 D HA 0.208 4.850 4.640 0.003 0.000 0.268 331 D C -0.462 175.874 176.300 0.060 0.000 1.153 331 D CA -0.459 53.520 54.000 -0.036 0.000 0.929 331 D CB 0.470 41.148 40.800 -0.204 0.000 1.015 331 D HN 0.610 nan 8.370 nan 0.000 0.502 332 K N 0.695 121.178 120.400 0.138 0.000 2.450 332 K HA 0.358 4.679 4.320 0.003 0.000 0.206 332 K C 0.628 177.388 176.600 0.266 0.000 1.148 332 K CA -0.385 56.008 56.287 0.178 0.000 1.014 332 K CB 1.192 33.805 32.500 0.189 0.000 0.966 332 K HN 0.282 nan 8.250 nan 0.000 0.566 333 A N 1.748 124.699 122.820 0.219 0.000 2.425 333 A HA 0.494 4.816 4.320 0.003 0.000 0.242 333 A C -0.164 177.564 177.584 0.240 0.000 1.077 333 A CA 0.066 52.202 52.037 0.165 0.000 0.781 333 A CB -0.206 18.870 19.000 0.126 0.000 1.020 333 A HN 0.281 nan 8.150 nan 0.000 0.494 334 F N -1.417 118.579 119.950 0.076 0.000 2.741 334 F HA 0.641 5.170 4.527 0.003 0.000 0.311 334 F C -1.288 174.569 175.800 0.095 0.000 1.149 334 F CA -1.298 56.730 58.000 0.047 0.000 0.930 334 F CB 0.977 39.944 39.000 -0.055 0.000 1.312 334 F HN 0.350 nan 8.300 nan 0.000 0.450 335 V N 2.038 122.102 119.914 0.249 0.000 2.495 335 V HA 0.521 4.643 4.120 0.003 0.000 0.298 335 V C -1.675 174.641 176.094 0.370 0.000 1.031 335 V CA -0.706 61.705 62.300 0.183 0.000 0.871 335 V CB 1.560 33.437 31.823 0.089 0.000 0.988 335 V HN 0.821 nan 8.190 nan 0.000 0.432 336 Y N 2.469 122.902 120.300 0.222 0.000 2.361 336 Y HA 0.390 4.941 4.550 0.002 0.000 0.328 336 Y C 0.386 176.357 175.900 0.118 0.000 1.044 336 Y CA -0.812 57.395 58.100 0.179 0.000 1.085 336 Y CB 1.476 40.040 38.460 0.173 0.000 1.194 336 Y HN 0.870 nan 8.280 nan 0.000 0.438 337 E N 6.152 126.094 120.200 -0.430 0.000 2.183 337 E HA -0.397 3.955 4.350 0.003 0.000 0.196 337 E C -0.126 176.391 176.600 -0.138 0.000 1.364 337 E CA 0.994 57.187 56.400 -0.344 0.000 0.700 337 E CB -0.901 28.481 29.700 -0.528 0.000 1.106 337 E HN 0.911 nan 8.360 nan 0.000 0.347 338 N N -3.191 115.447 118.700 -0.103 0.000 2.965 338 N HA -0.175 4.567 4.740 0.003 0.000 0.232 338 N C -0.282 175.134 175.510 -0.156 0.000 0.913 338 N CA 1.247 54.234 53.050 -0.104 0.000 0.981 338 N CB -0.811 37.616 38.487 -0.100 0.000 1.077 338 N HN 0.177 nan 8.380 nan 0.000 0.589 339 V N 2.255 122.082 119.914 -0.145 0.000 2.435 339 V HA 0.479 4.601 4.120 0.003 0.000 0.290 339 V C 0.742 176.624 176.094 -0.354 0.000 1.030 339 V CA -0.584 61.523 62.300 -0.322 0.000 0.881 339 V CB 2.001 33.589 31.823 -0.392 0.000 0.983 339 V HN 0.059 nan 8.190 nan 0.000 0.445 340 I N 4.972 125.211 120.570 -0.552 0.000 2.325 340 I HA 0.349 4.520 4.170 0.003 0.000 0.291 340 I C -0.967 174.781 176.117 -0.614 0.000 1.019 340 I CA -0.304 60.697 61.300 -0.499 0.000 1.302 340 I CB 0.636 38.278 38.000 -0.597 0.000 1.401 340 I HN 0.494 nan 8.210 nan 0.000 0.485 341 Y N 4.574 124.501 120.300 -0.621 0.000 2.331 341 Y HA 0.569 5.121 4.550 0.003 0.000 0.338 341 Y C 0.369 176.049 175.900 -0.366 0.000 0.992 341 Y CA -0.849 56.806 58.100 -0.742 0.000 1.121 341 Y CB 1.880 39.398 38.460 -1.570 0.000 1.184 341 Y HN 0.580 nan 8.280 nan 0.000 0.469 342 A N 6.157 129.006 122.820 0.048 0.000 2.786 342 A HA 0.570 4.892 4.320 0.003 0.000 0.346 342 A C -2.903 174.881 177.584 0.333 0.000 1.265 342 A CA -1.743 50.377 52.037 0.139 0.000 0.858 342 A CB -0.255 18.754 19.000 0.015 0.000 1.118 342 A HN 0.378 nan 8.150 nan 0.000 0.482 343 P HA 0.532 nan 4.420 nan 0.000 0.277 343 P C -0.734 176.827 177.300 0.434 0.000 1.240 343 P CA 0.080 63.463 63.100 0.471 0.000 0.798 343 P CB 0.440 32.411 31.700 0.452 0.000 0.979 344 Y N -1.805 118.613 120.300 0.197 0.000 2.871 344 Y HA 0.697 5.248 4.550 0.003 0.000 0.331 344 Y C -1.546 174.457 175.900 0.172 0.000 1.378 344 Y CA -1.413 56.794 58.100 0.179 0.000 1.079 344 Y CB 0.837 39.382 38.460 0.142 0.000 1.441 344 Y HN 0.073 nan 8.280 nan 0.000 0.446 345 M N 1.643 121.444 119.600 0.335 0.000 2.321 345 M HA 0.581 5.063 4.480 0.003 0.000 0.315 345 M C -0.459 176.087 176.300 0.409 0.000 1.052 345 M CA -0.795 54.611 55.300 0.178 0.000 0.936 345 M CB 2.346 35.023 32.600 0.128 0.000 1.639 345 M HN 0.933 nan 8.290 nan 0.000 0.433 346 G N 1.647 110.534 108.800 0.146 0.000 2.415 346 G HA2 0.616 4.578 3.960 0.003 0.000 0.317 346 G HA3 0.616 4.578 3.960 0.003 0.000 0.317 346 G C -0.400 174.549 174.900 0.082 0.000 1.152 346 G CA -0.294 44.959 45.100 0.255 0.000 0.956 346 G HN 0.775 nan 8.290 nan 0.000 0.458 347 S N 0.660 116.529 115.700 0.282 0.000 2.971 347 S HA 0.626 5.097 4.470 0.003 0.000 0.320 347 S C 0.213 174.977 174.600 0.273 0.000 1.111 347 S CA -0.009 58.300 58.200 0.181 0.000 0.870 347 S CB 1.924 65.165 63.200 0.069 0.000 1.331 347 S HN 0.427 nan 8.310 nan 0.000 0.635 348 D N -0.629 119.825 120.400 0.089 0.000 2.433 348 D HA 0.250 4.892 4.640 0.003 0.000 0.211 348 D C 0.505 176.640 176.300 -0.276 0.000 1.114 348 D CA -0.275 53.650 54.000 -0.124 0.000 0.837 348 D CB -0.001 40.841 40.800 0.070 0.000 0.984 348 D HN 0.788 nan 8.370 nan 0.000 0.505 349 R N -1.859 118.508 120.500 -0.222 0.000 2.780 349 R HA 0.143 4.485 4.340 0.003 0.000 0.280 349 R C -1.145 174.950 176.300 -0.341 0.000 1.016 349 R CA -0.823 55.120 56.100 -0.263 0.000 0.854 349 R CB -0.131 30.128 30.300 -0.068 0.000 1.293 349 R HN -0.069 nan 8.270 nan 0.000 0.483 350 H N 0.306 119.212 119.070 -0.274 0.000 3.513 350 H HA 0.329 4.886 4.556 0.003 0.000 0.253 350 H C -0.396 174.815 175.328 -0.195 0.000 1.514 350 H CA 2.116 58.078 56.048 -0.143 0.000 1.565 350 H CB -0.442 29.332 29.762 0.020 0.000 1.776 350 H HN 0.804 nan 8.280 nan 0.000 0.562 351 G N 1.640 110.211 108.800 -0.382 0.000 2.320 351 G HA2 0.020 3.982 3.960 0.003 0.000 0.297 351 G HA3 0.020 3.982 3.960 0.003 0.000 0.297 351 G C 0.222 174.970 174.900 -0.253 0.000 1.344 351 G CA -0.116 44.830 45.100 -0.255 0.000 0.851 351 G HN 0.396 nan 8.290 nan 0.000 0.567 352 V N -2.067 117.740 119.914 -0.179 0.000 3.542 352 V HA 0.506 4.628 4.120 0.003 0.000 0.296 352 V C 1.220 177.287 176.094 -0.045 0.000 1.364 352 V CA 0.939 63.162 62.300 -0.129 0.000 1.118 352 V CB 0.068 31.814 31.823 -0.129 0.000 0.972 352 V HN 1.205 nan 8.190 nan 0.000 0.430 353 S N 1.519 117.202 115.700 -0.028 0.000 2.537 353 S HA 0.286 4.758 4.470 0.003 0.000 0.286 353 S C 1.112 175.774 174.600 0.103 0.000 1.299 353 S CA 0.329 58.575 58.200 0.078 0.000 1.067 353 S CB -0.301 62.920 63.200 0.036 0.000 0.864 353 S HN 0.735 nan 8.310 nan 0.000 0.494 354 R N 0.394 121.002 120.500 0.180 0.000 3.946 354 R HA -0.198 4.144 4.340 0.003 0.000 0.329 354 R C -0.147 176.059 176.300 -0.156 0.000 1.209 354 R CA 0.771 56.897 56.100 0.044 0.000 0.909 354 R CB -2.141 28.296 30.300 0.228 0.000 1.355 354 R HN 0.670 nan 8.270 nan 0.000 0.539 355 L N 1.685 122.768 121.223 -0.234 0.000 2.326 355 L HA 0.269 4.610 4.340 0.003 0.000 0.278 355 L C 0.142 176.634 176.870 -0.630 0.000 1.092 355 L CA -0.355 54.306 54.840 -0.298 0.000 0.810 355 L CB 0.597 42.552 42.059 -0.173 0.000 1.153 355 L HN 0.055 nan 8.230 nan 0.000 0.439 356 H N 4.218 123.016 119.070 -0.454 0.000 2.547 356 H HA 0.266 4.824 4.556 0.003 0.000 0.342 356 H C -0.727 174.390 175.328 -0.351 0.000 1.048 356 H CA -0.721 55.016 56.048 -0.518 0.000 1.204 356 H CB 2.046 31.176 29.762 -1.053 0.000 1.493 356 H HN 0.345 nan 8.280 nan 0.000 0.511 357 V N 3.426 123.234 119.914 -0.178 0.000 2.529 357 V HA 0.050 4.172 4.120 0.003 0.000 0.292 357 V C 0.519 176.493 176.094 -0.200 0.000 1.028 357 V CA 0.515 62.695 62.300 -0.200 0.000 1.074 357 V CB 0.515 32.204 31.823 -0.223 0.000 0.958 357 V HN 0.732 nan 8.190 nan 0.000 0.481 358 S N 3.468 118.968 115.700 -0.332 0.000 2.667 358 S HA 0.860 5.332 4.470 0.003 0.000 0.292 358 S C -1.206 173.266 174.600 -0.214 0.000 1.126 358 S CA -0.665 57.319 58.200 -0.361 0.000 0.881 358 S CB 2.170 64.962 63.200 -0.680 0.000 1.132 358 S HN 0.868 nan 8.310 nan 0.000 0.492 359 W N 0.402 121.706 121.300 0.007 0.000 3.118 359 W HA 0.780 5.441 4.660 0.002 0.000 0.328 359 W C -1.481 175.215 176.519 0.295 0.000 1.239 359 W CA -1.452 56.015 57.345 0.204 0.000 1.176 359 W CB -0.388 29.195 29.460 0.206 0.000 1.433 359 W HN 0.599 nan 8.180 nan 0.000 0.562 360 V N -0.268 120.009 119.914 0.604 0.000 2.919 360 V HA 0.845 4.967 4.120 0.003 0.000 0.316 360 V C -0.569 175.632 176.094 0.178 0.000 1.077 360 V CA -1.640 60.877 62.300 0.361 0.000 0.977 360 V CB 1.736 33.726 31.823 0.278 0.000 1.039 360 V HN 0.652 nan 8.190 nan 0.000 0.441 361 K N 1.054 121.470 120.400 0.026 0.000 2.477 361 K HA 0.717 5.039 4.320 0.003 0.000 0.255 361 K C -1.096 175.191 176.600 -0.522 0.000 0.952 361 K CA -0.545 55.502 56.287 -0.399 0.000 0.826 361 K CB 2.215 34.256 32.500 -0.766 0.000 1.331 361 K HN 0.784 nan 8.250 nan 0.000 0.437 362 S N -0.081 115.015 115.700 -1.007 0.000 2.519 362 S HA 0.480 4.952 4.470 0.003 0.000 0.309 362 S C 0.305 174.438 174.600 -0.778 0.000 1.100 362 S CA -0.563 56.901 58.200 -1.226 0.000 1.059 362 S CB 1.106 63.045 63.200 -2.101 0.000 1.008 362 S HN 0.791 nan 8.310 nan 0.000 0.478 363 G N 2.078 110.544 108.800 -0.556 0.000 3.233 363 G HA2 0.192 4.154 3.960 0.003 0.000 0.234 363 G HA3 0.192 4.154 3.960 0.003 0.000 0.234 363 G C -0.041 174.682 174.900 -0.296 0.000 1.137 363 G CA -0.123 44.754 45.100 -0.372 0.000 0.763 363 G HN 0.787 nan 8.290 nan 0.000 0.549 364 D N -0.976 119.212 120.400 -0.354 0.000 2.865 364 D HA 0.143 4.785 4.640 0.003 0.000 0.347 364 D C -0.179 175.943 176.300 -0.297 0.000 1.498 364 D CA -0.749 53.117 54.000 -0.225 0.000 0.787 364 D CB -0.327 40.435 40.800 -0.062 0.000 1.190 364 D HN -0.049 nan 8.370 nan 0.000 0.445 365 D N 0.292 120.474 120.400 -0.364 0.000 2.800 365 D HA -0.106 4.536 4.640 0.003 0.000 0.232 365 D C 1.337 177.426 176.300 -0.352 0.000 1.137 365 D CA 1.629 55.441 54.000 -0.313 0.000 0.718 365 D CB -1.485 39.207 40.800 -0.180 0.000 1.084 365 D HN 0.782 nan 8.370 nan 0.000 0.432 366 G N -0.698 107.737 108.800 -0.608 0.000 2.175 366 G HA2 -0.401 3.561 3.960 0.003 0.000 0.244 366 G HA3 -0.401 3.561 3.960 0.003 0.000 0.244 366 G C 0.959 175.396 174.900 -0.771 0.000 0.982 366 G CA 0.651 45.381 45.100 -0.617 0.000 0.641 366 G HN 0.476 nan 8.290 nan 0.000 0.527 367 Q N -0.090 119.334 119.800 -0.626 0.000 2.083 367 Q HA 0.101 4.443 4.340 0.003 0.000 0.198 367 Q C 1.495 177.388 176.000 -0.179 0.000 0.969 367 Q CA 1.622 57.160 55.803 -0.440 0.000 0.838 367 Q CB 0.074 28.526 28.738 -0.476 0.000 0.900 367 Q HN 0.832 nan 8.270 nan 0.000 0.436 368 T N -3.077 111.309 114.554 -0.281 0.000 2.896 368 T HA 0.531 4.883 4.350 0.003 0.000 0.297 368 T C -1.579 172.827 174.700 -0.491 0.000 1.108 368 T CA -0.905 61.108 62.100 -0.145 0.000 1.004 368 T CB 1.388 70.248 68.868 -0.014 0.000 1.159 368 T HN 0.161 nan 8.240 nan 0.000 0.499 369 W N 0.846 122.045 121.300 -0.169 0.000 2.962 369 W HA 0.663 5.324 4.660 0.003 0.000 0.341 369 W C 0.443 176.883 176.519 -0.132 0.000 1.155 369 W CA -0.712 56.529 57.345 -0.174 0.000 1.165 369 W CB 1.923 31.273 29.460 -0.183 0.000 1.435 369 W HN 1.003 nan 8.180 nan 0.000 0.546 370 S N -0.391 115.357 115.700 0.080 0.000 2.645 370 S HA 0.504 4.976 4.470 0.003 0.000 0.266 370 S C 0.032 174.680 174.600 0.081 0.000 1.258 370 S CA -0.643 57.579 58.200 0.036 0.000 0.990 370 S CB 0.644 63.838 63.200 -0.010 0.000 0.967 370 S HN 0.345 nan 8.310 nan 0.000 0.556 371 T N 3.594 118.179 114.554 0.050 0.000 2.916 371 T HA 0.292 4.644 4.350 0.003 0.000 0.303 371 T C -2.321 172.430 174.700 0.086 0.000 1.025 371 T CA -0.376 61.750 62.100 0.044 0.000 1.142 371 T CB -0.120 68.746 68.868 -0.003 0.000 0.947 371 T HN 0.509 nan 8.240 nan 0.000 0.544 372 P HA 0.124 nan 4.420 nan 0.000 0.266 372 P C -0.321 177.004 177.300 0.042 0.000 1.195 372 P CA -0.026 63.178 63.100 0.173 0.000 0.768 372 P CB 0.474 32.310 31.700 0.227 0.000 0.838 373 E N 2.382 122.658 120.200 0.126 0.000 2.187 373 E HA 0.218 4.570 4.350 0.003 0.000 0.268 373 E C -1.001 175.609 176.600 0.017 0.000 0.896 373 E CA -0.756 55.655 56.400 0.019 0.000 0.766 373 E CB 0.629 30.415 29.700 0.143 0.000 1.142 373 E HN 0.281 nan 8.360 nan 0.000 0.408 374 W N 5.869 127.088 121.300 -0.135 0.000 2.345 374 W HA 0.198 4.860 4.660 0.003 0.000 0.308 374 W C 0.633 177.084 176.519 -0.114 0.000 1.273 374 W CA -0.590 56.650 57.345 -0.174 0.000 1.243 374 W CB 0.349 29.651 29.460 -0.263 0.000 1.260 374 W HN 0.700 nan 8.180 nan 0.000 0.509 375 L N 2.292 123.551 121.223 0.061 0.000 2.354 375 L HA 0.037 4.378 4.340 0.003 0.000 0.212 375 L C 1.288 178.259 176.870 0.169 0.000 1.091 375 L CA 0.841 55.722 54.840 0.068 0.000 0.828 375 L CB -0.447 41.542 42.059 -0.117 0.000 0.973 375 L HN 0.296 nan 8.230 nan 0.000 0.461 376 T N -3.792 110.806 114.554 0.072 0.000 2.887 376 T HA 0.397 4.749 4.350 0.003 0.000 0.288 376 T C -0.470 174.343 174.700 0.188 0.000 1.021 376 T CA -0.950 61.172 62.100 0.037 0.000 1.000 376 T CB 2.418 71.153 68.868 -0.222 0.000 1.034 376 T HN -0.173 nan 8.240 nan 0.000 0.467 377 D N 1.156 121.677 120.400 0.203 0.000 2.383 377 D HA 0.309 4.951 4.640 0.003 0.000 0.248 377 D C 0.592 176.930 176.300 0.063 0.000 1.170 377 D CA -0.448 53.662 54.000 0.184 0.000 0.977 377 D CB 0.932 41.836 40.800 0.172 0.000 1.120 377 D HN 0.516 nan 8.370 nan 0.000 0.481 378 L N 1.378 122.514 121.223 -0.146 0.000 2.514 378 L HA -0.033 4.308 4.340 0.003 0.000 0.280 378 L C 1.280 178.128 176.870 -0.035 0.000 1.223 378 L CA 0.138 54.815 54.840 -0.271 0.000 0.864 378 L CB 0.093 41.822 42.059 -0.549 0.000 1.118 378 L HN 0.351 nan 8.230 nan 0.000 0.494 379 H N 5.445 124.370 119.070 -0.240 0.000 2.948 379 H HA 0.007 4.564 4.556 0.003 0.000 0.351 379 H C -1.732 173.552 175.328 -0.073 0.000 1.079 379 H CA -1.205 54.643 56.048 -0.333 0.000 1.407 379 H CB 1.387 30.751 29.762 -0.664 0.000 1.373 379 H HN 0.353 nan 8.280 nan 0.000 0.605 380 P HA -0.099 nan 4.420 nan 0.000 0.219 380 P C 0.309 177.711 177.300 0.170 0.000 1.146 380 P CA 1.254 64.363 63.100 0.016 0.000 0.808 380 P CB 0.338 31.994 31.700 -0.073 0.000 0.779 381 D N -2.607 118.041 120.400 0.413 0.000 2.388 381 D HA 0.026 4.667 4.640 0.003 0.000 0.221 381 D C 0.237 176.587 176.300 0.083 0.000 1.133 381 D CA -0.390 53.727 54.000 0.195 0.000 0.831 381 D CB -0.573 40.297 40.800 0.116 0.000 0.962 381 D HN 0.196 nan 8.370 nan 0.000 0.502 382 Y N 3.098 123.399 120.300 0.001 0.000 2.702 382 Y HA 0.018 4.569 4.550 0.003 0.000 0.336 382 Y C -1.148 174.729 175.900 -0.040 0.000 1.235 382 Y CA -0.763 57.299 58.100 -0.064 0.000 1.492 382 Y CB 0.896 39.319 38.460 -0.061 0.000 1.308 382 Y HN -0.048 nan 8.280 nan 0.000 0.589 383 P HA 0.096 nan 4.420 nan 0.000 0.254 383 P C 0.372 177.353 177.300 -0.532 0.000 1.494 383 P CA 0.298 62.849 63.100 -0.915 0.000 0.961 383 P CB 0.388 31.688 31.700 -0.667 0.000 1.493 384 T N -0.406 113.953 114.554 -0.326 0.000 2.809 384 T HA 0.043 4.395 4.350 0.003 0.000 0.260 384 T C 1.138 175.662 174.700 -0.295 0.000 1.039 384 T CA 1.114 63.062 62.100 -0.254 0.000 1.141 384 T CB -0.138 68.626 68.868 -0.172 0.000 0.869 384 T HN 0.129 nan 8.240 nan 0.000 0.437 385 V N -0.689 119.015 119.914 -0.350 0.000 3.102 385 V HA 0.909 5.031 4.120 0.003 0.000 0.312 385 V C -1.155 174.704 176.094 -0.391 0.000 1.135 385 V CA -1.237 60.818 62.300 -0.409 0.000 1.022 385 V CB 2.220 33.716 31.823 -0.545 0.000 1.056 385 V HN 0.147 nan 8.190 nan 0.000 0.436 386 N N -0.970 117.519 118.700 -0.351 0.000 3.020 386 N HA 0.546 5.287 4.740 0.003 0.000 0.248 386 N C -1.588 173.757 175.510 -0.276 0.000 1.480 386 N CA -0.585 52.308 53.050 -0.263 0.000 0.874 386 N CB 1.446 39.932 38.487 -0.003 0.000 1.433 386 N HN 0.728 nan 8.380 nan 0.000 0.530 387 Y N 0.476 120.741 120.300 -0.059 0.000 2.281 387 Y HA 0.395 4.947 4.550 0.003 0.000 0.337 387 Y C 0.688 176.530 175.900 -0.097 0.000 1.304 387 Y CA 0.277 58.305 58.100 -0.120 0.000 1.465 387 Y CB 0.454 38.784 38.460 -0.218 0.000 1.350 387 Y HN 0.351 nan 8.280 nan 0.000 0.575 388 H N -0.253 118.781 119.070 -0.060 0.000 3.094 388 H HA 0.414 4.971 4.556 0.003 0.000 0.346 388 H C -1.908 173.327 175.328 -0.155 0.000 1.238 388 H CA -0.839 55.123 56.048 -0.144 0.000 1.209 388 H CB 1.862 31.528 29.762 -0.161 0.000 1.911 388 H HN 0.819 nan 8.280 nan 0.000 0.540 389 C N 6.113 125.162 119.300 -0.420 0.000 2.871 389 C HA 0.445 4.907 4.460 0.003 0.000 0.378 389 C C -0.002 174.851 174.990 -0.229 0.000 1.052 389 C CA -0.382 58.487 59.018 -0.249 0.000 1.250 389 C CB 0.401 28.002 27.740 -0.232 0.000 1.689 389 C HN 0.949 nan 8.230 nan 0.000 0.506 390 M N 3.304 122.867 119.600 -0.061 0.000 2.340 390 M HA 0.251 4.732 4.480 0.003 0.000 0.345 390 M C 0.254 176.587 176.300 0.055 0.000 1.008 390 M CA 0.299 55.625 55.300 0.044 0.000 0.987 390 M CB 0.760 33.485 32.600 0.208 0.000 1.598 390 M HN 0.616 nan 8.290 nan 0.000 0.569 391 S N 1.646 117.387 115.700 0.068 0.000 2.672 391 S HA 0.792 5.264 4.470 0.003 0.000 0.291 391 S C -1.088 173.557 174.600 0.075 0.000 1.145 391 S CA -0.519 57.757 58.200 0.126 0.000 1.013 391 S CB 1.279 64.608 63.200 0.214 0.000 1.017 391 S HN 0.383 nan 8.310 nan 0.000 0.487 392 M N 4.698 124.302 119.600 0.006 0.000 2.471 392 M HA 0.680 5.161 4.480 0.003 0.000 0.284 392 M C -0.831 175.050 176.300 -0.699 0.000 1.203 392 M CA -0.082 55.074 55.300 -0.240 0.000 0.915 392 M CB 1.647 34.229 32.600 -0.030 0.000 1.734 392 M HN 0.879 nan 8.290 nan 0.000 0.485 393 G N 1.494 109.443 108.800 -1.417 0.000 2.427 393 G HA2 0.565 4.527 3.960 0.003 0.000 0.306 393 G HA3 0.565 4.527 3.960 0.003 0.000 0.306 393 G C -2.351 171.730 174.900 -1.365 0.000 1.280 393 G CA -0.547 43.559 45.100 -1.658 0.000 0.837 393 G HN 0.680 nan 8.290 nan 0.000 0.482 394 V N -0.527 118.896 119.914 -0.820 0.000 2.604 394 V HA 0.666 4.787 4.120 0.003 0.000 0.305 394 V C -0.644 175.509 176.094 0.098 0.000 1.043 394 V CA -0.633 61.447 62.300 -0.365 0.000 0.888 394 V CB 1.397 32.971 31.823 -0.415 0.000 0.995 394 V HN 1.108 nan 8.190 nan 0.000 0.429 395 C N 6.032 125.526 119.300 0.322 0.000 2.481 395 C HA 0.632 5.094 4.460 0.003 0.000 0.324 395 C C 0.635 175.949 174.990 0.541 0.000 1.170 395 C CA -0.695 58.603 59.018 0.466 0.000 1.361 395 C CB 0.520 28.585 27.740 0.542 0.000 1.977 395 C HN 1.025 nan 8.230 nan 0.000 0.459 396 R N 4.748 125.452 120.500 0.339 0.000 3.225 396 R HA -0.170 4.172 4.340 0.003 0.000 0.245 396 R C 0.507 176.941 176.300 0.223 0.000 0.928 396 R CA 1.255 57.471 56.100 0.193 0.000 0.632 396 R CB -1.399 28.841 30.300 -0.099 0.000 1.038 396 R HN 1.051 nan 8.270 nan 0.000 0.461 397 N N -1.554 117.264 118.700 0.198 0.000 2.850 397 N HA -0.197 4.545 4.740 0.003 0.000 0.249 397 N C -0.747 174.742 175.510 -0.036 0.000 1.060 397 N CA 1.846 54.962 53.050 0.111 0.000 0.825 397 N CB -0.542 38.038 38.487 0.155 0.000 1.132 397 N HN 0.619 nan 8.380 nan 0.000 0.564 398 R N 0.209 120.717 120.500 0.013 0.000 2.670 398 R HA 0.488 4.829 4.340 0.003 0.000 0.289 398 R C -0.224 175.932 176.300 -0.239 0.000 0.965 398 R CA -0.937 55.060 56.100 -0.171 0.000 0.899 398 R CB 1.833 31.961 30.300 -0.287 0.000 1.173 398 R HN 0.005 nan 8.270 nan 0.000 0.456 399 L N 2.734 123.754 121.223 -0.337 0.000 2.367 399 L HA 0.351 4.692 4.340 0.003 0.000 0.275 399 L C -1.274 175.402 176.870 -0.323 0.000 1.129 399 L CA 0.604 55.248 54.840 -0.327 0.000 0.839 399 L CB 0.178 42.165 42.059 -0.119 0.000 1.133 399 L HN 0.413 nan 8.230 nan 0.000 0.453 400 F N 4.084 123.855 119.950 -0.299 0.000 2.532 400 F HA 0.788 5.317 4.527 0.003 0.000 0.321 400 F C 0.165 175.817 175.800 -0.246 0.000 1.089 400 F CA -0.380 57.492 58.000 -0.215 0.000 0.926 400 F CB 2.001 40.786 39.000 -0.358 0.000 1.168 400 F HN 0.598 nan 8.300 nan 0.000 0.459 401 A N 3.105 125.963 122.820 0.064 0.000 2.520 401 A HA 0.719 5.040 4.320 0.003 0.000 0.298 401 A C -1.479 176.068 177.584 -0.062 0.000 1.051 401 A CA -0.727 51.285 52.037 -0.041 0.000 0.690 401 A CB 1.517 20.452 19.000 -0.107 0.000 1.281 401 A HN 0.714 nan 8.150 nan 0.000 0.402 402 M N 3.717 123.285 119.600 -0.053 0.000 2.151 402 M HA 0.399 4.881 4.480 0.003 0.000 0.349 402 M C -1.181 174.995 176.300 -0.207 0.000 1.284 402 M CA -0.501 54.756 55.300 -0.072 0.000 1.173 402 M CB -0.320 32.304 32.600 0.041 0.000 1.469 402 M HN 0.463 nan 8.290 nan 0.000 0.439 403 I N 5.033 125.348 120.570 -0.425 0.000 2.301 403 I HA 0.237 4.409 4.170 0.003 0.000 0.292 403 I C 0.170 176.097 176.117 -0.317 0.000 1.046 403 I CA -0.064 60.844 61.300 -0.653 0.000 1.282 403 I CB 0.147 37.157 38.000 -1.652 0.000 1.409 403 I HN 0.676 nan 8.210 nan 0.000 0.484 404 E N 4.070 124.191 120.200 -0.131 0.000 2.283 404 E HA 0.426 4.777 4.350 0.003 0.000 0.271 404 E C -0.409 176.225 176.600 0.057 0.000 1.031 404 E CA -0.520 55.874 56.400 -0.011 0.000 0.868 404 E CB 1.413 31.137 29.700 0.040 0.000 1.094 404 E HN 0.410 nan 8.360 nan 0.000 0.401 405 T N 2.713 117.282 114.554 0.026 0.000 2.794 405 T HA 0.481 4.833 4.350 0.003 0.000 0.280 405 T C -0.299 174.320 174.700 -0.135 0.000 0.987 405 T CA -0.737 61.329 62.100 -0.056 0.000 0.993 405 T CB 0.718 69.550 68.868 -0.059 0.000 0.939 405 T HN 0.301 nan 8.240 nan 0.000 0.449 406 R N 0.886 121.268 120.500 -0.197 0.000 2.808 406 R HA 0.612 4.954 4.340 0.003 0.000 0.272 406 R C -0.225 175.939 176.300 -0.228 0.000 0.995 406 R CA -1.081 54.891 56.100 -0.213 0.000 0.917 406 R CB 1.399 31.537 30.300 -0.271 0.000 1.217 406 R HN 0.719 nan 8.270 nan 0.000 0.471 407 T N -0.649 113.787 114.554 -0.197 0.000 2.907 407 T HA 0.156 4.508 4.350 0.003 0.000 0.298 407 T C 1.220 175.809 174.700 -0.186 0.000 1.017 407 T CA -0.626 61.360 62.100 -0.190 0.000 1.118 407 T CB 0.695 69.473 68.868 -0.149 0.000 0.948 407 T HN 0.335 nan 8.240 nan 0.000 0.531 408 L N 2.584 123.685 121.223 -0.203 0.000 2.093 408 L HA 0.089 4.431 4.340 0.003 0.000 0.208 408 L C 2.917 179.707 176.870 -0.133 0.000 1.085 408 L CA 2.070 56.800 54.840 -0.183 0.000 0.755 408 L CB -1.216 40.702 42.059 -0.236 0.000 0.904 408 L HN 0.979 nan 8.230 nan 0.000 0.435 409 A N -0.817 121.931 122.820 -0.121 0.000 1.898 409 A HA -0.151 4.171 4.320 0.003 0.000 0.216 409 A C 2.042 179.587 177.584 -0.065 0.000 1.181 409 A CA 1.698 53.685 52.037 -0.084 0.000 0.620 409 A CB -0.133 18.821 19.000 -0.077 0.000 0.819 409 A HN 0.438 nan 8.150 nan 0.000 0.442 410 K N -2.604 117.751 120.400 -0.075 0.000 2.517 410 K HA 0.122 4.444 4.320 0.003 0.000 0.210 410 K C 0.031 176.586 176.600 -0.075 0.000 1.166 410 K CA 0.176 56.428 56.287 -0.058 0.000 1.030 410 K CB 0.677 33.148 32.500 -0.049 0.000 0.974 410 K HN 0.256 nan 8.250 nan 0.000 0.585 411 N N 1.479 120.111 118.700 -0.114 0.000 2.725 411 N HA -0.181 4.561 4.740 0.003 0.000 0.249 411 N C -0.999 174.413 175.510 -0.164 0.000 1.103 411 N CA 0.823 53.774 53.050 -0.164 0.000 0.707 411 N CB -0.997 37.396 38.487 -0.157 0.000 1.043 411 N HN 0.417 nan 8.380 nan 0.000 0.553 412 A N 0.195 122.936 122.820 -0.133 0.000 2.331 412 A HA 0.534 4.855 4.320 0.003 0.000 0.283 412 A C 0.375 177.882 177.584 -0.129 0.000 1.142 412 A CA -0.543 51.428 52.037 -0.111 0.000 0.812 412 A CB 0.622 19.573 19.000 -0.083 0.000 1.074 412 A HN 0.400 nan 8.150 nan 0.000 0.497 413 L N 3.219 124.374 121.223 -0.114 0.000 2.455 413 L HA 0.326 4.668 4.340 0.003 0.000 0.272 413 L C 1.418 178.242 176.870 -0.078 0.000 1.174 413 L CA 1.702 56.481 54.840 -0.102 0.000 0.869 413 L CB 0.768 42.782 42.059 -0.075 0.000 1.130 413 L HN 0.856 nan 8.230 nan 0.000 0.474 414 T N 0.740 115.246 114.554 -0.080 0.000 2.959 414 T HA 0.276 4.628 4.350 0.003 0.000 0.254 414 T C 0.529 175.209 174.700 -0.032 0.000 1.003 414 T CA -0.155 61.908 62.100 -0.062 0.000 0.950 414 T CB -0.194 68.621 68.868 -0.089 0.000 1.090 414 T HN 0.608 nan 8.240 nan 0.000 0.503 415 N N -0.646 118.042 118.700 -0.020 0.000 2.636 415 N HA 0.330 5.072 4.740 0.003 0.000 0.261 415 N C -2.007 173.512 175.510 0.015 0.000 1.195 415 N CA -0.432 52.627 53.050 0.014 0.000 0.902 415 N CB 2.051 40.569 38.487 0.053 0.000 1.627 415 N HN 0.190 nan 8.380 nan 0.000 0.491 416 C N 1.773 121.083 119.300 0.017 0.000 2.379 416 C HA 0.929 5.391 4.460 0.003 0.000 0.323 416 C C 0.080 175.094 174.990 0.040 0.000 1.262 416 C CA -0.368 58.654 59.018 0.005 0.000 1.581 416 C CB 0.177 27.899 27.740 -0.031 0.000 2.221 416 C HN 0.708 nan 8.230 nan 0.000 0.497 417 A N 2.656 125.496 122.820 0.033 0.000 2.422 417 A HA 0.762 5.084 4.320 0.003 0.000 0.302 417 A C -1.244 176.401 177.584 0.101 0.000 1.041 417 A CA -0.457 51.655 52.037 0.125 0.000 0.708 417 A CB 0.906 20.077 19.000 0.285 0.000 1.257 417 A HN 0.839 nan 8.150 nan 0.000 0.414 418 L N 2.549 123.882 121.223 0.183 0.000 2.278 418 L HA 0.625 4.967 4.340 0.003 0.000 0.287 418 L C -1.391 175.688 176.870 0.347 0.000 1.072 418 L CA -0.040 54.913 54.840 0.188 0.000 0.819 418 L CB -0.084 42.069 42.059 0.157 0.000 1.176 418 L HN 0.629 nan 8.230 nan 0.000 0.435 419 W N 3.964 125.209 121.300 -0.092 0.000 2.520 419 W HA 0.529 5.190 4.660 0.002 0.000 0.323 419 W C -0.529 175.996 176.519 0.011 0.000 1.062 419 W CA -1.200 56.064 57.345 -0.136 0.000 1.215 419 W CB 1.356 30.479 29.460 -0.562 0.000 1.340 419 W HN 0.668 nan 8.180 nan 0.000 0.516 420 D N 0.607 121.170 120.400 0.272 0.000 2.596 420 D HA 0.758 5.400 4.640 0.003 0.000 0.234 420 D C -1.188 175.081 176.300 -0.051 0.000 1.181 420 D CA -1.035 52.916 54.000 -0.081 0.000 0.856 420 D CB 2.156 42.434 40.800 -0.870 0.000 1.498 420 D HN 0.315 nan 8.370 nan 0.000 0.446 421 R N 0.340 120.668 120.500 -0.287 0.000 2.594 421 R HA 0.437 4.779 4.340 0.003 0.000 0.265 421 R C -2.908 173.195 176.300 -0.329 0.000 1.070 421 R CA -1.991 53.849 56.100 -0.433 0.000 0.909 421 R CB 2.184 31.905 30.300 -0.964 0.000 1.243 421 R HN 0.408 nan 8.270 nan 0.000 0.455 422 P HA 0.080 nan 4.420 nan 0.000 0.271 422 P C -0.579 176.670 177.300 -0.085 0.000 1.216 422 P CA -0.157 62.828 63.100 -0.193 0.000 0.776 422 P CB 0.693 32.291 31.700 -0.170 0.000 0.881 423 M N 1.284 120.803 119.600 -0.135 0.000 2.250 423 M HA 0.130 4.612 4.480 0.003 0.000 0.344 423 M C 1.038 177.342 176.300 0.007 0.000 1.150 423 M CA -0.076 55.130 55.300 -0.157 0.000 1.147 423 M CB 0.382 32.623 32.600 -0.598 0.000 1.498 423 M HN 0.346 nan 8.290 nan 0.000 0.461 424 S N 3.739 119.471 115.700 0.054 0.000 2.549 424 S HA 0.513 4.985 4.470 0.003 0.000 0.279 424 S C -0.251 174.446 174.600 0.161 0.000 1.321 424 S CA -0.388 57.872 58.200 0.100 0.000 1.054 424 S CB 0.515 63.771 63.200 0.092 0.000 0.899 424 S HN 0.780 nan 8.310 nan 0.000 0.497 425 R N 1.481 122.060 120.500 0.131 0.000 2.692 425 R HA 0.577 4.919 4.340 0.003 0.000 0.269 425 R C -1.650 174.693 176.300 0.071 0.000 1.030 425 R CA -0.902 55.267 56.100 0.114 0.000 0.882 425 R CB 0.825 31.210 30.300 0.142 0.000 1.250 425 R HN 0.602 nan 8.270 nan 0.000 0.465 426 S N 1.928 117.654 115.700 0.043 0.000 2.449 426 S HA 0.600 5.072 4.470 0.003 0.000 0.310 426 S C -0.228 174.381 174.600 0.015 0.000 1.096 426 S CA -0.890 57.327 58.200 0.028 0.000 1.095 426 S CB 1.143 64.353 63.200 0.015 0.000 1.007 426 S HN 0.480 nan 8.310 nan 0.000 0.474 427 L N 3.435 124.656 121.223 -0.004 0.000 2.341 427 L HA 0.484 4.825 4.340 0.003 0.000 0.278 427 L C -0.052 176.780 176.870 -0.064 0.000 1.005 427 L CA -0.647 54.161 54.840 -0.052 0.000 0.818 427 L CB 1.718 43.712 42.059 -0.108 0.000 1.259 427 L HN 0.808 nan 8.230 nan 0.000 0.418 428 H N 4.624 123.586 119.070 -0.180 0.000 2.581 428 H HA 0.614 5.172 4.556 0.003 0.000 0.308 428 H C -1.285 173.820 175.328 -0.372 0.000 1.040 428 H CA -0.620 55.279 56.048 -0.249 0.000 1.231 428 H CB 1.069 30.771 29.762 -0.099 0.000 1.396 428 H HN 0.446 nan 8.280 nan 0.000 0.467 429 L N 3.369 124.199 121.223 -0.656 0.000 2.309 429 L HA 0.430 4.772 4.340 0.003 0.000 0.261 429 L C -0.343 176.202 176.870 -0.542 0.000 1.021 429 L CA -0.904 53.535 54.840 -0.668 0.000 0.823 429 L CB 2.576 44.051 42.059 -0.973 0.000 1.366 429 L HN 0.548 nan 8.230 nan 0.000 0.423 430 T N 0.780 115.224 114.554 -0.182 0.000 2.809 430 T HA 0.631 4.983 4.350 0.003 0.000 0.284 430 T C 0.106 174.946 174.700 0.232 0.000 0.992 430 T CA 0.085 62.206 62.100 0.035 0.000 0.957 430 T CB 1.528 70.375 68.868 -0.035 0.000 0.942 430 T HN 1.052 nan 8.240 nan 0.000 0.439 431 G N 1.893 110.922 108.800 0.382 0.000 2.752 431 G HA2 0.236 4.198 3.960 0.003 0.000 0.234 431 G HA3 0.236 4.198 3.960 0.003 0.000 0.234 431 G C 0.716 175.852 174.900 0.392 0.000 1.367 431 G CA 0.251 45.516 45.100 0.275 0.000 0.879 431 G HN 1.960 nan 8.290 nan 0.000 0.563 432 G N -2.167 106.743 108.800 0.183 0.000 2.179 432 G HA2 -0.059 3.902 3.960 0.003 0.000 0.220 432 G HA3 -0.059 3.902 3.960 0.003 0.000 0.220 432 G C 0.287 175.218 174.900 0.052 0.000 0.990 432 G CA 0.580 45.802 45.100 0.203 0.000 0.646 432 G HN 1.557 nan 8.290 nan 0.000 0.517 433 I N 2.478 122.971 120.570 -0.128 0.000 2.362 433 I HA 0.547 4.718 4.170 0.003 0.000 0.289 433 I C 0.371 176.368 176.117 -0.199 0.000 0.994 433 I CA -0.302 60.835 61.300 -0.272 0.000 1.158 433 I CB 1.931 39.598 38.000 -0.555 0.000 1.315 433 I HN 0.233 nan 8.210 nan 0.000 0.451 434 T N 2.440 116.896 114.554 -0.163 0.000 2.893 434 T HA 0.568 4.919 4.350 0.003 0.000 0.291 434 T C -0.731 173.897 174.700 -0.121 0.000 1.028 434 T CA -0.974 61.053 62.100 -0.122 0.000 0.995 434 T CB 2.561 71.380 68.868 -0.082 0.000 1.051 434 T HN 0.595 nan 8.240 nan 0.000 0.470 435 K N 1.392 121.732 120.400 -0.100 0.000 2.637 435 K HA 0.619 4.941 4.320 0.003 0.000 0.248 435 K C -0.608 175.959 176.600 -0.054 0.000 0.971 435 K CA -0.691 55.547 56.287 -0.082 0.000 0.858 435 K CB 1.570 34.004 32.500 -0.109 0.000 1.170 435 K HN 0.968 nan 8.250 nan 0.000 0.443 436 A N 2.794 125.595 122.820 -0.032 0.000 2.425 436 A HA 0.574 4.896 4.320 0.003 0.000 0.249 436 A C 0.210 177.782 177.584 -0.020 0.000 1.084 436 A CA -0.048 51.976 52.037 -0.022 0.000 0.781 436 A CB 0.477 19.471 19.000 -0.010 0.000 1.019 436 A HN 0.866 nan 8.150 nan 0.000 0.490 437 A N 2.386 125.193 122.820 -0.021 0.000 2.555 437 A HA 0.357 4.679 4.320 0.003 0.000 0.233 437 A C 0.920 178.497 177.584 -0.012 0.000 1.060 437 A CA 0.473 52.498 52.037 -0.020 0.000 0.759 437 A CB -0.324 18.664 19.000 -0.019 0.000 0.995 437 A HN 1.370 nan 8.150 nan 0.000 0.506 438 N N -1.207 117.484 118.700 -0.014 0.000 2.782 438 N HA -0.191 4.551 4.740 0.003 0.000 0.251 438 N C -0.179 175.332 175.510 0.002 0.000 1.101 438 N CA 1.811 54.856 53.050 -0.009 0.000 0.764 438 N CB -1.533 36.950 38.487 -0.006 0.000 1.122 438 N HN 1.029 nan 8.380 nan 0.000 0.561 439 Q N -2.022 117.781 119.800 0.004 0.000 2.626 439 Q HA 0.620 4.962 4.340 0.003 0.000 0.300 439 Q C 0.228 176.225 176.000 -0.005 0.000 0.988 439 Q CA -0.849 54.971 55.803 0.028 0.000 0.761 439 Q CB 0.797 29.581 28.738 0.077 0.000 1.494 439 Q HN -0.106 nan 8.270 nan 0.000 0.439 440 R N -0.648 119.839 120.500 -0.023 0.000 2.365 440 R HA 0.252 4.594 4.340 0.003 0.000 0.223 440 R C -0.303 175.824 176.300 -0.289 0.000 0.899 440 R CA 0.136 56.123 56.100 -0.188 0.000 1.059 440 R CB 0.282 30.395 30.300 -0.313 0.000 1.086 440 R HN 0.535 nan 8.270 nan 0.000 0.522 441 Y N 0.675 120.942 120.300 -0.055 0.000 2.320 441 Y HA 0.476 5.028 4.550 0.004 0.000 0.324 441 Y C 0.581 176.424 175.900 -0.095 0.000 1.190 441 Y CA -0.760 57.301 58.100 -0.064 0.000 1.215 441 Y CB 1.190 39.627 38.460 -0.038 0.000 1.221 441 Y HN -0.056 nan 8.280 nan 0.000 0.486 442 A N 1.216 124.044 122.820 0.014 0.000 2.365 442 A HA 0.718 5.040 4.320 0.003 0.000 0.318 442 A C -0.755 176.772 177.584 -0.095 0.000 1.091 442 A CA -0.744 51.236 52.037 -0.094 0.000 0.763 442 A CB 0.814 19.679 19.000 -0.225 0.000 1.248 442 A HN 0.653 nan 8.150 nan 0.000 0.442 443 T N 3.279 117.762 114.554 -0.119 0.000 2.767 443 T HA 0.507 4.859 4.350 0.003 0.000 0.284 443 T C -0.221 174.345 174.700 -0.223 0.000 0.973 443 T CA -0.093 61.921 62.100 -0.142 0.000 0.996 443 T CB 0.321 69.144 68.868 -0.074 0.000 0.927 443 T HN 0.391 nan 8.240 nan 0.000 0.456 444 I N 3.419 123.757 120.570 -0.388 0.000 2.355 444 I HA 0.242 4.414 4.170 0.003 0.000 0.288 444 I C -0.036 175.911 176.117 -0.282 0.000 0.999 444 I CA -0.804 60.237 61.300 -0.433 0.000 1.163 444 I CB 0.901 38.396 38.000 -0.842 0.000 1.316 444 I HN 0.719 nan 8.210 nan 0.000 0.454 445 H N 6.297 125.327 119.070 -0.066 0.000 2.761 445 H HA 0.593 5.150 4.556 0.002 0.000 0.284 445 H C -1.279 174.149 175.328 0.168 0.000 1.105 445 H CA -0.212 55.868 56.048 0.054 0.000 1.352 445 H CB 0.840 30.643 29.762 0.070 0.000 1.423 445 H HN 0.308 nan 8.280 nan 0.000 0.464 446 V N 8.539 128.381 119.914 -0.119 0.000 2.445 446 V HA 0.244 4.366 4.120 0.003 0.000 0.283 446 V C -2.326 173.756 176.094 -0.020 0.000 1.014 446 V CA -1.777 60.535 62.300 0.020 0.000 0.852 446 V CB 1.414 33.415 31.823 0.297 0.000 1.021 446 V HN 0.811 nan 8.190 nan 0.000 0.435 447 P HA 0.090 nan 4.420 nan 0.000 0.264 447 P C 0.070 177.352 177.300 -0.031 0.000 1.183 447 P CA 0.616 63.655 63.100 -0.102 0.000 0.763 447 P CB 0.214 31.874 31.700 -0.068 0.000 0.807 448 D N 1.035 121.380 120.400 -0.092 0.000 2.689 448 D HA -0.207 4.435 4.640 0.003 0.000 0.237 448 D C 0.918 177.137 176.300 -0.136 0.000 1.148 448 D CA 1.054 54.958 54.000 -0.160 0.000 0.656 448 D CB -1.372 39.376 40.800 -0.088 0.000 1.050 448 D HN 0.709 nan 8.370 nan 0.000 0.426 449 H N -1.503 117.575 119.070 0.013 0.000 2.423 449 H HA 0.163 4.720 4.556 0.003 0.000 0.297 449 H C 1.924 177.239 175.328 -0.021 0.000 1.075 449 H CA 1.587 57.657 56.048 0.037 0.000 1.342 449 H CB -0.241 29.599 29.762 0.130 0.000 1.395 449 H HN 0.315 nan 8.280 nan 0.000 0.530 450 G N 0.216 108.894 108.800 -0.203 0.000 2.168 450 G HA2 -0.296 3.666 3.960 0.003 0.000 0.257 450 G HA3 -0.296 3.666 3.960 0.003 0.000 0.257 450 G C -0.072 174.780 174.900 -0.080 0.000 0.997 450 G CA 0.509 45.586 45.100 -0.037 0.000 0.708 450 G HN 0.461 nan 8.290 nan 0.000 0.520 451 L N -0.698 120.607 121.223 0.136 0.000 2.360 451 L HA 0.823 5.165 4.340 0.003 0.000 0.271 451 L C 0.330 177.145 176.870 -0.091 0.000 1.057 451 L CA -1.189 53.573 54.840 -0.130 0.000 0.803 451 L CB 0.853 42.751 42.059 -0.268 0.000 1.207 451 L HN -0.040 nan 8.230 nan 0.000 0.445 452 F N -0.276 119.702 119.950 0.047 0.000 2.575 452 F HA 0.436 4.964 4.527 0.002 0.000 0.330 452 F C 0.232 176.028 175.800 -0.007 0.000 1.056 452 F CA -1.332 56.697 58.000 0.049 0.000 0.964 452 F CB 1.153 40.173 39.000 0.034 0.000 1.258 452 F HN -0.062 nan 8.300 nan 0.000 0.484 453 V N 1.806 121.862 119.914 0.238 0.000 2.681 453 V HA 0.264 4.385 4.120 0.003 0.000 0.306 453 V C 1.027 177.180 176.094 0.098 0.000 1.077 453 V CA 1.785 64.161 62.300 0.128 0.000 1.224 453 V CB -0.056 31.827 31.823 0.101 0.000 0.879 453 V HN 1.092 nan 8.190 nan 0.000 0.494 454 G N 3.579 112.417 108.800 0.064 0.000 2.217 454 G HA2 -0.196 3.765 3.960 0.003 0.000 0.246 454 G HA3 -0.196 3.765 3.960 0.003 0.000 0.246 454 G C -0.014 174.906 174.900 0.032 0.000 0.990 454 G CA 0.110 45.238 45.100 0.046 0.000 0.627 454 G HN 0.684 nan 8.290 nan 0.000 0.522 455 D N -0.181 120.226 120.400 0.013 0.000 2.362 455 D HA 0.461 5.102 4.640 0.003 0.000 0.242 455 D C 0.390 176.699 176.300 0.015 0.000 1.132 455 D CA -0.374 53.621 54.000 -0.009 0.000 0.907 455 D CB 0.545 41.302 40.800 -0.072 0.000 1.195 455 D HN 0.139 nan 8.370 nan 0.000 0.429 456 F N 1.656 121.553 119.950 -0.088 0.000 2.484 456 F HA 0.316 4.845 4.527 0.003 0.000 0.360 456 F C -0.229 175.527 175.800 -0.073 0.000 1.101 456 F CA -0.016 57.951 58.000 -0.055 0.000 1.251 456 F CB 0.645 39.613 39.000 -0.053 0.000 1.132 456 F HN -0.039 nan 8.300 nan 0.000 0.570 457 V N 7.859 127.359 119.914 -0.691 0.000 2.711 457 V HA 0.332 4.454 4.120 0.003 0.000 0.304 457 V C -1.629 174.011 176.094 -0.757 0.000 1.097 457 V CA -0.683 61.291 62.300 -0.543 0.000 0.906 457 V CB 1.606 33.284 31.823 -0.242 0.000 1.015 457 V HN 0.919 nan 8.190 nan 0.000 0.427 458 N N 5.549 123.883 118.700 -0.610 0.000 2.399 458 N HA 0.552 5.293 4.740 0.003 0.000 0.295 458 N C -1.777 173.501 175.510 -0.387 0.000 1.048 458 N CA -0.189 52.664 53.050 -0.327 0.000 0.886 458 N CB 1.658 40.165 38.487 0.033 0.000 1.185 458 N HN 0.509 nan 8.380 nan 0.000 0.487 459 F N 0.522 120.538 119.950 0.110 0.000 2.532 459 F HA 0.413 4.942 4.527 0.002 0.000 0.321 459 F C 0.158 176.074 175.800 0.193 0.000 1.089 459 F CA -0.529 57.594 58.000 0.204 0.000 0.926 459 F CB 2.171 41.240 39.000 0.116 0.000 1.168 459 F HN 0.234 nan 8.300 nan 0.000 0.459 460 S N 1.316 117.285 115.700 0.449 0.000 2.547 460 S HA 0.365 4.837 4.470 0.003 0.000 0.281 460 S C -0.479 174.380 174.600 0.432 0.000 1.118 460 S CA -1.229 57.187 58.200 0.360 0.000 0.947 460 S CB 1.466 64.838 63.200 0.287 0.000 1.053 460 S HN 0.762 nan 8.310 nan 0.000 0.482 461 N N 0.615 119.495 118.700 0.300 0.000 2.741 461 N HA -0.221 4.521 4.740 0.003 0.000 0.250 461 N C 1.090 176.745 175.510 0.241 0.000 1.115 461 N CA 0.864 54.075 53.050 0.268 0.000 0.724 461 N CB -1.504 37.179 38.487 0.327 0.000 1.090 461 N HN 0.690 nan 8.380 nan 0.000 0.558 462 S N -0.464 115.329 115.700 0.155 0.000 2.419 462 S HA 0.137 4.609 4.470 0.003 0.000 0.233 462 S C 1.620 176.135 174.600 -0.141 0.000 1.016 462 S CA 0.893 59.044 58.200 -0.082 0.000 0.974 462 S CB -0.166 62.886 63.200 -0.246 0.000 0.786 462 S HN 1.403 nan 8.310 nan 0.000 0.492 463 A N -0.732 122.057 122.820 -0.052 0.000 2.847 463 A HA -0.092 4.229 4.320 0.003 0.000 0.263 463 A C 0.255 177.773 177.584 -0.111 0.000 1.391 463 A CA 0.842 52.844 52.037 -0.058 0.000 0.866 463 A CB -2.383 16.599 19.000 -0.030 0.000 1.057 463 A HN 1.046 nan 8.150 nan 0.000 0.673 464 V N 1.138 120.958 119.914 -0.156 0.000 2.409 464 V HA 0.397 4.519 4.120 0.003 0.000 0.290 464 V C 0.640 176.638 176.094 -0.161 0.000 1.017 464 V CA -0.030 62.161 62.300 -0.181 0.000 0.841 464 V CB 1.502 33.167 31.823 -0.264 0.000 1.003 464 V HN 0.490 nan 8.190 nan 0.000 0.426 465 T N 3.857 118.339 114.554 -0.120 0.000 2.866 465 T HA 0.350 4.701 4.350 0.003 0.000 0.293 465 T C 1.363 175.987 174.700 -0.127 0.000 1.005 465 T CA 1.410 63.450 62.100 -0.101 0.000 1.162 465 T CB 0.485 69.307 68.868 -0.078 0.000 0.968 465 T HN 1.489 nan 8.240 nan 0.000 0.530 466 G N 2.275 111.006 108.800 -0.115 0.000 2.225 466 G HA2 -0.257 3.705 3.960 0.003 0.000 0.254 466 G HA3 -0.257 3.705 3.960 0.003 0.000 0.254 466 G C 0.265 175.055 174.900 -0.184 0.000 0.988 466 G CA -0.078 44.944 45.100 -0.130 0.000 0.625 466 G HN 0.781 nan 8.290 nan 0.000 0.527 467 V N 1.651 121.415 119.914 -0.249 0.000 2.284 467 V HA 0.699 4.821 4.120 0.003 0.000 0.260 467 V C 0.349 176.296 176.094 -0.244 0.000 1.084 467 V CA 0.548 62.588 62.300 -0.432 0.000 0.894 467 V CB 0.814 32.256 31.823 -0.637 0.000 1.119 467 V HN 0.809 nan 8.190 nan 0.000 0.484 468 S N 3.454 119.107 115.700 -0.078 0.000 2.548 468 S HA 0.704 5.176 4.470 0.003 0.000 0.278 468 S C -0.089 174.594 174.600 0.138 0.000 1.150 468 S CA 0.601 58.850 58.200 0.081 0.000 0.907 468 S CB 1.381 64.594 63.200 0.023 0.000 1.108 468 S HN 1.864 nan 8.310 nan 0.000 0.459 469 G N 3.763 112.673 108.800 0.184 0.000 2.645 469 G HA2 -0.147 3.814 3.960 0.003 0.000 0.239 469 G HA3 -0.147 3.814 3.960 0.003 0.000 0.239 469 G C -1.275 173.695 174.900 0.117 0.000 1.331 469 G CA 0.069 45.250 45.100 0.135 0.000 0.890 469 G HN 0.821 nan 8.290 nan 0.000 0.572 470 D N 1.386 121.826 120.400 0.068 0.000 2.343 470 D HA 0.588 5.230 4.640 0.003 0.000 0.255 470 D C 0.967 177.221 176.300 -0.078 0.000 1.187 470 D CA 0.695 54.663 54.000 -0.052 0.000 0.875 470 D CB 0.728 41.613 40.800 0.142 0.000 1.136 470 D HN 0.522 nan 8.370 nan 0.000 0.469 471 M N 0.504 119.982 119.600 -0.203 0.000 2.846 471 M HA 0.456 4.938 4.480 0.003 0.000 0.282 471 M C -0.283 175.934 176.300 -0.140 0.000 1.266 471 M CA -0.806 54.459 55.300 -0.058 0.000 0.766 471 M CB 2.260 34.941 32.600 0.134 0.000 1.739 471 M HN 0.015 nan 8.290 nan 0.000 0.442 472 T N 0.482 115.030 114.554 -0.009 0.000 2.906 472 T HA 0.496 4.848 4.350 0.003 0.000 0.295 472 T C -0.780 173.962 174.700 0.069 0.000 1.061 472 T CA -0.643 61.461 62.100 0.006 0.000 1.000 472 T CB 2.162 71.049 68.868 0.032 0.000 1.103 472 T HN 0.367 nan 8.240 nan 0.000 0.486 473 V N 2.652 122.583 119.914 0.028 0.000 2.479 473 V HA 0.326 4.447 4.120 0.003 0.000 0.281 473 V C 1.246 177.412 176.094 0.121 0.000 1.031 473 V CA 0.236 62.575 62.300 0.066 0.000 1.038 473 V CB 0.500 32.255 31.823 -0.112 0.000 0.981 473 V HN 1.164 nan 8.190 nan 0.000 0.478 474 A N 4.555 127.490 122.820 0.191 0.000 1.911 474 A HA 0.237 4.558 4.320 0.003 0.000 0.212 474 A C 1.132 178.804 177.584 0.147 0.000 1.189 474 A CA 1.195 53.343 52.037 0.186 0.000 0.639 474 A CB 0.107 19.284 19.000 0.295 0.000 0.839 474 A HN 0.873 nan 8.150 nan 0.000 0.449 475 T N -3.864 110.787 114.554 0.163 0.000 2.883 475 T HA 0.569 4.920 4.350 0.003 0.000 0.301 475 T C -1.261 173.559 174.700 0.200 0.000 1.158 475 T CA -0.612 61.568 62.100 0.132 0.000 1.007 475 T CB 1.628 70.533 68.868 0.062 0.000 1.186 475 T HN 0.236 nan 8.240 nan 0.000 0.499 476 V N 3.548 123.582 119.914 0.201 0.000 2.357 476 V HA 0.393 4.514 4.120 0.003 0.000 0.284 476 V C 1.116 177.342 176.094 0.219 0.000 1.018 476 V CA -0.680 61.785 62.300 0.274 0.000 0.841 476 V CB 0.762 32.789 31.823 0.340 0.000 0.991 476 V HN 0.939 nan 8.190 nan 0.000 0.437 477 I N 2.935 123.636 120.570 0.219 0.000 2.277 477 I HA 0.035 4.206 4.170 0.003 0.000 0.243 477 I C 0.784 176.999 176.117 0.163 0.000 1.094 477 I CA 1.180 62.574 61.300 0.156 0.000 1.393 477 I CB 0.187 38.263 38.000 0.126 0.000 1.078 477 I HN 0.872 nan 8.210 nan 0.000 0.417 478 D N -1.301 119.230 120.400 0.219 0.000 2.838 478 D HA 0.057 4.698 4.640 0.003 0.000 0.334 478 D C 0.282 176.707 176.300 0.209 0.000 1.315 478 D CA -0.764 53.344 54.000 0.179 0.000 0.917 478 D CB 0.307 41.184 40.800 0.129 0.000 1.435 478 D HN 0.000 nan 8.370 nan 0.000 0.517 479 K N -1.022 119.423 120.400 0.075 0.000 2.442 479 K HA -0.017 4.305 4.320 0.003 0.000 0.198 479 K C -0.233 176.264 176.600 -0.171 0.000 1.042 479 K CA 1.144 57.365 56.287 -0.110 0.000 0.958 479 K CB -0.157 32.258 32.500 -0.142 0.000 0.766 479 K HN 0.230 nan 8.250 nan 0.000 0.474 480 D N 0.078 120.534 120.400 0.094 0.000 2.433 480 D HA 0.133 4.774 4.640 0.003 0.000 0.211 480 D C -0.479 175.988 176.300 0.279 0.000 1.114 480 D CA 0.003 54.084 54.000 0.135 0.000 0.837 480 D CB 0.362 41.206 40.800 0.072 0.000 0.984 480 D HN 0.185 nan 8.370 nan 0.000 0.505 481 N N 0.532 119.478 118.700 0.411 0.000 2.324 481 N HA 0.321 5.063 4.740 0.003 0.000 0.285 481 N C -1.147 174.530 175.510 0.277 0.000 1.076 481 N CA -0.468 52.733 53.050 0.251 0.000 0.864 481 N CB 2.512 41.117 38.487 0.196 0.000 1.632 481 N HN -0.078 nan 8.380 nan 0.000 0.478 482 F N -1.131 118.830 119.950 0.019 0.000 2.664 482 F HA 0.767 5.295 4.527 0.002 0.000 0.317 482 F C -0.194 175.624 175.800 0.030 0.000 1.108 482 F CA -0.863 57.129 58.000 -0.015 0.000 0.957 482 F CB 1.362 40.251 39.000 -0.185 0.000 1.365 482 F HN 0.282 nan 8.300 nan 0.000 0.475 483 T N -0.083 114.616 114.554 0.242 0.000 2.924 483 T HA 0.800 5.152 4.350 0.003 0.000 0.291 483 T C -0.890 173.991 174.700 0.302 0.000 1.045 483 T CA -0.343 61.850 62.100 0.156 0.000 1.015 483 T CB 1.540 70.482 68.868 0.123 0.000 1.103 483 T HN 1.616 nan 8.240 nan 0.000 0.496 484 V N 0.231 120.268 119.914 0.204 0.000 2.914 484 V HA 0.836 4.958 4.120 0.003 0.000 0.314 484 V C -0.828 175.320 176.094 0.090 0.000 1.084 484 V CA -1.334 61.069 62.300 0.172 0.000 0.963 484 V CB 1.499 33.381 31.823 0.099 0.000 1.025 484 V HN 0.990 nan 8.190 nan 0.000 0.432 485 L N 4.120 125.334 121.223 -0.014 0.000 2.260 485 L HA 0.708 5.050 4.340 0.003 0.000 0.289 485 L C 0.593 177.309 176.870 -0.257 0.000 1.057 485 L CA 0.730 55.365 54.840 -0.341 0.000 0.811 485 L CB 0.988 42.871 42.059 -0.294 0.000 1.184 485 L HN 1.192 nan 8.230 nan 0.000 0.429 486 T N 2.399 116.773 114.554 -0.300 0.000 2.902 486 T HA 0.562 4.914 4.350 0.003 0.000 0.280 486 T C -1.969 172.616 174.700 -0.192 0.000 0.992 486 T CA -1.637 60.335 62.100 -0.213 0.000 1.015 486 T CB 1.272 70.020 68.868 -0.199 0.000 1.044 486 T HN 0.545 nan 8.240 nan 0.000 0.520 487 P HA 0.184 nan 4.420 nan 0.000 0.249 487 P C -0.541 176.701 177.300 -0.097 0.000 1.229 487 P CA 0.118 63.155 63.100 -0.105 0.000 0.788 487 P CB -0.281 31.377 31.700 -0.071 0.000 1.072 488 N N -0.976 117.659 118.700 -0.108 0.000 3.039 488 N HA 0.378 5.120 4.740 0.003 0.000 0.257 488 N C -1.356 174.102 175.510 -0.087 0.000 1.497 488 N CA -0.937 52.063 53.050 -0.084 0.000 0.861 488 N CB 0.840 39.286 38.487 -0.068 0.000 1.479 488 N HN -0.130 nan 8.380 nan 0.000 0.547 489 Q N -1.279 118.481 119.800 -0.065 0.000 2.418 489 Q HA 0.652 4.994 4.340 0.003 0.000 0.282 489 Q C -1.579 174.394 176.000 -0.045 0.000 1.044 489 Q CA -0.948 54.822 55.803 -0.056 0.000 0.813 489 Q CB 2.008 30.720 28.738 -0.043 0.000 1.428 489 Q HN 0.549 nan 8.270 nan 0.000 0.402 490 Q N 0.299 120.073 119.800 -0.042 0.000 2.416 490 Q HA 0.413 4.754 4.340 0.003 0.000 0.279 490 Q C 0.097 176.079 176.000 -0.030 0.000 1.101 490 Q CA -0.326 55.455 55.803 -0.037 0.000 0.830 490 Q CB 2.163 30.875 28.738 -0.043 0.000 1.402 490 Q HN 0.871 nan 8.270 nan 0.000 0.445 491 T N -3.350 111.189 114.554 -0.025 0.000 3.107 491 T HA 0.292 4.644 4.350 0.003 0.000 0.249 491 T C 0.278 174.965 174.700 -0.021 0.000 1.096 491 T CA -0.088 62.000 62.100 -0.021 0.000 1.012 491 T CB 0.166 69.023 68.868 -0.017 0.000 0.977 491 T HN 0.227 nan 8.240 nan 0.000 0.527 492 S N 1.512 117.197 115.700 -0.025 0.000 2.526 492 S HA 0.482 4.954 4.470 0.003 0.000 0.293 492 S C -0.973 173.608 174.600 -0.032 0.000 1.092 492 S CA -0.896 57.289 58.200 -0.026 0.000 0.980 492 S CB 1.513 64.698 63.200 -0.025 0.000 1.048 492 S HN 0.283 nan 8.310 nan 0.000 0.483 493 D N 1.821 122.203 120.400 -0.031 0.000 2.399 493 D HA 0.315 4.957 4.640 0.003 0.000 0.241 493 D C -0.368 175.904 176.300 -0.046 0.000 1.133 493 D CA 0.337 54.314 54.000 -0.038 0.000 0.890 493 D CB 0.431 41.211 40.800 -0.033 0.000 1.201 493 D HN 0.284 nan 8.370 nan 0.000 0.432 494 L N 2.143 123.330 121.223 -0.059 0.000 2.354 494 L HA 0.485 4.826 4.340 0.003 0.000 0.269 494 L C 0.008 176.829 176.870 -0.083 0.000 1.005 494 L CA -0.866 53.931 54.840 -0.072 0.000 0.819 494 L CB 1.686 43.691 42.059 -0.090 0.000 1.311 494 L HN 0.231 nan 8.230 nan 0.000 0.423 495 N N 1.477 120.128 118.700 -0.081 0.000 2.578 495 N HA 0.098 4.839 4.740 0.003 0.000 0.282 495 N C -0.928 174.534 175.510 -0.081 0.000 1.119 495 N CA -0.492 52.508 53.050 -0.083 0.000 0.948 495 N CB 1.279 39.730 38.487 -0.058 0.000 1.546 495 N HN 0.646 nan 8.380 nan 0.000 0.525 496 N N 2.144 120.780 118.700 -0.108 0.000 2.346 496 N HA 0.143 4.885 4.740 0.003 0.000 0.225 496 N C -0.042 175.458 175.510 -0.018 0.000 1.144 496 N CA -0.333 52.665 53.050 -0.087 0.000 0.837 496 N CB -0.113 38.268 38.487 -0.177 0.000 1.069 496 N HN 0.514 nan 8.380 nan 0.000 0.487 497 A N -0.191 122.622 122.820 -0.012 0.000 2.584 497 A HA 0.429 4.751 4.320 0.003 0.000 0.239 497 A C 1.602 179.201 177.584 0.026 0.000 1.043 497 A CA 0.559 52.605 52.037 0.015 0.000 0.756 497 A CB -0.838 18.161 19.000 -0.002 0.000 0.963 497 A HN 1.039 nan 8.150 nan 0.000 0.511 498 G N 1.721 110.547 108.800 0.043 0.000 2.179 498 G HA2 -0.246 3.716 3.960 0.003 0.000 0.260 498 G HA3 -0.246 3.716 3.960 0.003 0.000 0.260 498 G C 0.217 175.146 174.900 0.049 0.000 0.977 498 G CA 0.881 46.002 45.100 0.036 0.000 0.641 498 G HN 0.892 nan 8.290 nan 0.000 0.533 499 K N 0.632 121.081 120.400 0.081 0.000 2.182 499 K HA 0.462 4.784 4.320 0.003 0.000 0.262 499 K C -0.574 176.136 176.600 0.184 0.000 0.957 499 K CA -0.932 55.418 56.287 0.104 0.000 0.842 499 K CB 0.848 33.399 32.500 0.084 0.000 1.099 499 K HN 0.084 nan 8.250 nan 0.000 0.438 500 N N 3.122 121.896 118.700 0.124 0.000 2.479 500 N HA 0.333 5.075 4.740 0.003 0.000 0.285 500 N C -0.712 174.899 175.510 0.169 0.000 1.075 500 N CA -0.309 52.770 53.050 0.048 0.000 0.967 500 N CB 0.772 39.234 38.487 -0.042 0.000 1.137 500 N HN 0.594 nan 8.380 nan 0.000 0.472 501 W N 0.848 122.057 121.300 -0.151 0.000 3.003 501 W HA 0.457 5.118 4.660 0.002 0.000 0.362 501 W C -1.252 175.082 176.519 -0.309 0.000 1.213 501 W CA -0.518 56.735 57.345 -0.153 0.000 1.157 501 W CB 0.624 30.102 29.460 0.030 0.000 1.493 501 W HN 0.297 nan 8.180 nan 0.000 0.589 502 H N 1.179 120.432 119.070 0.305 0.000 2.679 502 H HA 0.572 5.130 4.556 0.003 0.000 0.360 502 H C -0.968 174.439 175.328 0.132 0.000 1.105 502 H CA -0.859 55.216 56.048 0.045 0.000 1.196 502 H CB 3.082 32.881 29.762 0.062 0.000 1.636 502 H HN 0.253 nan 8.280 nan 0.000 0.531 503 M N 1.412 121.016 119.600 0.006 0.000 2.535 503 M HA 0.559 5.040 4.480 0.003 0.000 0.314 503 M C -0.580 175.704 176.300 -0.025 0.000 1.153 503 M CA -0.613 54.669 55.300 -0.029 0.000 0.924 503 M CB 2.463 35.036 32.600 -0.045 0.000 1.710 503 M HN 0.783 nan 8.290 nan 0.000 0.451 504 G N 1.313 110.084 108.800 -0.048 0.000 2.591 504 G HA2 0.653 4.615 3.960 0.003 0.000 0.306 504 G HA3 0.653 4.615 3.960 0.003 0.000 0.306 504 G C -0.887 174.069 174.900 0.094 0.000 1.334 504 G CA -0.487 44.643 45.100 0.050 0.000 0.981 504 G HN 0.714 nan 8.290 nan 0.000 0.491 505 T N -1.760 112.872 114.554 0.129 0.000 2.948 505 T HA 0.787 5.139 4.350 0.003 0.000 0.285 505 T C -0.123 174.690 174.700 0.188 0.000 1.019 505 T CA -0.901 61.304 62.100 0.175 0.000 1.013 505 T CB 1.982 70.896 68.868 0.077 0.000 1.117 505 T HN 1.023 nan 8.240 nan 0.000 0.533 506 S N -0.138 115.643 115.700 0.136 0.000 2.649 506 S HA 0.368 4.840 4.470 0.003 0.000 0.274 506 S C -0.006 174.546 174.600 -0.079 0.000 1.176 506 S CA -0.848 57.326 58.200 -0.043 0.000 0.988 506 S CB 0.775 63.724 63.200 -0.418 0.000 1.071 506 S HN 0.729 nan 8.310 nan 0.000 0.478 507 F N 4.600 124.389 119.950 -0.269 0.000 2.102 507 F HA -0.044 4.485 4.527 0.002 0.000 0.298 507 F C 1.802 177.311 175.800 -0.484 0.000 1.105 507 F CA 2.181 59.922 58.000 -0.432 0.000 1.239 507 F CB -0.218 38.485 39.000 -0.495 0.000 0.991 507 F HN 0.888 nan 8.300 nan 0.000 0.474 508 H N -0.396 118.640 119.070 -0.057 0.000 2.423 508 H HA -0.018 4.540 4.556 0.003 0.000 0.297 508 H C 1.446 176.613 175.328 -0.267 0.000 1.075 508 H CA 1.455 57.405 56.048 -0.164 0.000 1.342 508 H CB -0.027 29.706 29.762 -0.048 0.000 1.395 508 H HN 0.154 nan 8.280 nan 0.000 0.530 509 K N 0.580 120.851 120.400 -0.215 0.000 2.387 509 K HA 0.195 4.517 4.320 0.003 0.000 0.198 509 K C -0.151 176.371 176.600 -0.131 0.000 1.022 509 K CA 0.058 56.209 56.287 -0.228 0.000 1.128 509 K CB 0.996 33.198 32.500 -0.497 0.000 0.853 509 K HN 0.049 nan 8.250 nan 0.000 0.523 510 S N 2.409 117.982 115.700 -0.212 0.000 2.501 510 S HA 0.387 4.859 4.470 0.003 0.000 0.301 510 S C -2.435 171.969 174.600 -0.326 0.000 1.096 510 S CA -1.292 56.792 58.200 -0.194 0.000 1.063 510 S CB 1.911 64.994 63.200 -0.196 0.000 1.042 510 S HN 0.064 nan 8.310 nan 0.000 0.494 511 P HA 0.195 nan 4.420 nan 0.000 0.276 511 P C -1.010 176.103 177.300 -0.312 0.000 1.244 511 P CA -0.657 62.292 63.100 -0.251 0.000 0.801 511 P CB 0.454 32.082 31.700 -0.120 0.000 1.006 512 W N 1.229 122.330 121.300 -0.332 0.000 2.193 512 W HA 0.210 4.871 4.660 0.002 0.000 0.338 512 W C 1.489 177.828 176.519 -0.301 0.000 1.310 512 W CA -0.080 57.047 57.345 -0.364 0.000 1.243 512 W CB 0.147 29.278 29.460 -0.550 0.000 1.165 512 W HN 0.280 nan 8.180 nan 0.000 0.566 513 R N 3.462 123.990 120.500 0.048 0.000 2.265 513 R HA 0.259 4.600 4.340 0.003 0.000 0.314 513 R C -0.705 175.553 176.300 -0.070 0.000 1.053 513 R CA -0.410 55.685 56.100 -0.008 0.000 0.931 513 R CB 0.372 30.707 30.300 0.059 0.000 1.024 513 R HN 0.431 nan 8.270 nan 0.000 0.457 514 K N 3.115 123.413 120.400 -0.170 0.000 2.450 514 K HA 0.256 4.578 4.320 0.003 0.000 0.257 514 K C -1.213 175.367 176.600 -0.034 0.000 0.953 514 K CA -0.613 55.535 56.287 -0.231 0.000 0.844 514 K CB 2.366 34.539 32.500 -0.544 0.000 1.103 514 K HN 0.479 nan 8.250 nan 0.000 0.429 515 T N 1.789 116.393 114.554 0.083 0.000 2.788 515 T HA 0.073 4.425 4.350 0.003 0.000 0.296 515 T C -0.764 174.014 174.700 0.131 0.000 1.009 515 T CA -0.626 61.532 62.100 0.096 0.000 0.949 515 T CB 0.726 69.668 68.868 0.123 0.000 0.946 515 T HN 0.393 nan 8.240 nan 0.000 0.453 516 D N 2.983 123.443 120.400 0.100 0.000 2.343 516 D HA 0.122 4.764 4.640 0.003 0.000 0.255 516 D C 0.702 177.062 176.300 0.099 0.000 1.187 516 D CA -0.344 53.719 54.000 0.105 0.000 0.875 516 D CB 0.749 41.596 40.800 0.079 0.000 1.136 516 D HN 0.448 nan 8.370 nan 0.000 0.469 517 L N 3.106 124.389 121.223 0.100 0.000 2.640 517 L HA 0.314 4.656 4.340 0.003 0.000 0.230 517 L C 1.520 178.426 176.870 0.060 0.000 1.123 517 L CA 0.003 54.902 54.840 0.097 0.000 0.900 517 L CB -0.593 41.515 42.059 0.081 0.000 1.146 517 L HN 0.658 nan 8.230 nan 0.000 0.484 518 G N 1.271 110.101 108.800 0.050 0.000 2.698 518 G HA2 -0.305 3.657 3.960 0.003 0.000 0.233 518 G HA3 -0.305 3.657 3.960 0.003 0.000 0.233 518 G C -0.707 174.203 174.900 0.016 0.000 1.352 518 G CA -0.405 44.715 45.100 0.033 0.000 0.879 518 G HN 0.028 nan 8.290 nan 0.000 0.567 519 L N 1.171 122.399 121.223 0.009 0.000 2.401 519 L HA 0.536 4.878 4.340 0.003 0.000 0.283 519 L C 0.969 177.836 176.870 -0.005 0.000 1.151 519 L CA -0.491 54.347 54.840 -0.002 0.000 0.942 519 L CB -0.507 41.549 42.059 -0.004 0.000 1.283 519 L HN 0.425 nan 8.230 nan 0.000 0.442 520 I N 7.540 128.096 120.570 -0.024 0.000 2.741 520 I HA 0.052 4.224 4.170 0.003 0.000 0.288 520 I C -1.574 174.541 176.117 -0.003 0.000 1.192 520 I CA -1.279 59.998 61.300 -0.040 0.000 1.426 520 I CB 0.090 37.991 38.000 -0.165 0.000 1.367 520 I HN 0.494 nan 8.210 nan 0.000 0.563 521 P HA -0.025 nan 4.420 nan 0.000 0.272 521 P C 0.146 177.485 177.300 0.064 0.000 1.223 521 P CA -0.082 63.039 63.100 0.035 0.000 0.784 521 P CB 0.889 32.609 31.700 0.035 0.000 0.923 522 S N -0.367 115.375 115.700 0.071 0.000 3.628 522 S HA -0.086 4.385 4.470 0.003 0.000 0.373 522 S C -0.393 174.302 174.600 0.157 0.000 0.968 522 S CA 0.370 58.634 58.200 0.107 0.000 1.215 522 S CB -1.362 61.914 63.200 0.125 0.000 0.912 522 S HN 0.315 nan 8.310 nan 0.000 0.495 523 V N 1.971 121.954 119.914 0.115 0.000 2.686 523 V HA 0.437 4.558 4.120 0.003 0.000 0.306 523 V C 0.981 177.094 176.094 0.031 0.000 1.065 523 V CA -0.196 62.190 62.300 0.143 0.000 0.894 523 V CB 2.083 33.995 31.823 0.148 0.000 1.004 523 V HN 0.498 nan 8.190 nan 0.000 0.424 524 T N 2.444 116.953 114.554 -0.075 0.000 3.004 524 T HA 0.246 4.597 4.350 0.003 0.000 0.243 524 T C 0.258 174.876 174.700 -0.137 0.000 1.020 524 T CA 0.546 62.546 62.100 -0.167 0.000 1.145 524 T CB 0.291 68.972 68.868 -0.311 0.000 0.876 524 T HN 0.678 nan 8.240 nan 0.000 0.449 525 E N 0.396 120.505 120.200 -0.152 0.000 2.331 525 E HA 0.527 4.879 4.350 0.003 0.000 0.275 525 E C -1.671 175.059 176.600 0.217 0.000 0.895 525 E CA -0.540 55.898 56.400 0.064 0.000 0.753 525 E CB 3.106 32.910 29.700 0.174 0.000 1.216 525 E HN -0.079 nan 8.360 nan 0.000 0.434 526 V N 2.873 122.953 119.914 0.277 0.000 2.439 526 V HA 0.358 4.480 4.120 0.003 0.000 0.282 526 V C -0.274 176.049 176.094 0.382 0.000 1.039 526 V CA -0.396 62.120 62.300 0.359 0.000 0.913 526 V CB 1.206 33.215 31.823 0.309 0.000 0.983 526 V HN 0.612 nan 8.190 nan 0.000 0.460 527 H N 3.645 122.886 119.070 0.286 0.000 3.099 527 H HA 0.431 4.989 4.556 0.003 0.000 0.342 527 H C -0.579 174.917 175.328 0.280 0.000 1.054 527 H CA 0.670 56.877 56.048 0.265 0.000 1.328 527 H CB 1.987 31.913 29.762 0.273 0.000 1.876 527 H HN 0.843 nan 8.280 nan 0.000 0.495 528 S N 2.962 118.623 115.700 -0.064 0.000 3.461 528 S HA -0.130 4.342 4.470 0.003 0.000 0.820 528 S C -1.491 173.273 174.600 0.273 0.000 1.142 528 S CA 0.230 58.474 58.200 0.073 0.000 1.078 528 S CB -0.549 62.748 63.200 0.162 0.000 0.674 528 S HN 0.620 nan 8.310 nan 0.000 0.333 529 F N 2.177 122.187 119.950 0.101 0.000 2.588 529 F HA 0.667 5.195 4.527 0.003 0.000 0.314 529 F C -0.467 175.405 175.800 0.118 0.000 1.134 529 F CA 0.392 58.452 58.000 0.099 0.000 0.961 529 F CB 1.574 40.573 39.000 -0.002 0.000 1.239 529 F HN 0.949 nan 8.300 nan 0.000 0.448 530 A N 4.056 126.860 122.820 -0.026 0.000 2.340 530 A HA 0.565 4.887 4.320 0.003 0.000 0.297 530 A C -0.629 176.934 177.584 -0.035 0.000 1.195 530 A CA -0.589 51.496 52.037 0.080 0.000 0.769 530 A CB 0.602 19.678 19.000 0.128 0.000 1.163 530 A HN 0.655 nan 8.150 nan 0.000 0.472 531 T N 3.601 118.256 114.554 0.168 0.000 2.867 531 T HA 0.148 4.499 4.350 0.003 0.000 0.297 531 T C 1.330 176.093 174.700 0.105 0.000 0.989 531 T CA 0.060 62.282 62.100 0.203 0.000 1.159 531 T CB 0.229 69.282 68.868 0.308 0.000 0.928 531 T HN 0.450 nan 8.240 nan 0.000 0.538 532 I N 1.993 122.575 120.570 0.020 0.000 2.729 532 I HA 0.169 4.341 4.170 0.003 0.000 0.256 532 I C 1.015 177.160 176.117 0.047 0.000 1.115 532 I CA 0.882 62.055 61.300 -0.212 0.000 1.446 532 I CB -0.519 37.264 38.000 -0.361 0.000 1.176 532 I HN 0.747 nan 8.210 nan 0.000 0.446 533 D N -2.085 118.383 120.400 0.113 0.000 3.145 533 D HA 0.005 4.647 4.640 0.003 0.000 0.345 533 D C 0.220 176.602 176.300 0.137 0.000 1.391 533 D CA -0.538 53.543 54.000 0.136 0.000 0.930 533 D CB 0.135 41.005 40.800 0.115 0.000 1.451 533 D HN -0.226 nan 8.370 nan 0.000 0.555 534 N N -1.338 117.421 118.700 0.097 0.000 2.550 534 N HA 0.023 4.765 4.740 0.003 0.000 0.186 534 N C 0.238 175.770 175.510 0.036 0.000 1.110 534 N CA 0.849 53.931 53.050 0.054 0.000 0.912 534 N CB -0.037 38.453 38.487 0.005 0.000 0.968 534 N HN 0.293 nan 8.380 nan 0.000 0.448 535 N N -1.408 117.353 118.700 0.102 0.000 2.332 535 N HA 0.233 4.975 4.740 0.003 0.000 0.190 535 N C 0.459 176.092 175.510 0.205 0.000 1.117 535 N CA 0.598 53.737 53.050 0.149 0.000 0.883 535 N CB 1.257 39.797 38.487 0.088 0.000 1.089 535 N HN 0.201 nan 8.380 nan 0.000 0.480 536 G N -0.083 108.795 108.800 0.131 0.000 2.561 536 G HA2 0.542 4.504 3.960 0.003 0.000 0.310 536 G HA3 0.542 4.504 3.960 0.003 0.000 0.310 536 G C -1.953 172.972 174.900 0.040 0.000 1.292 536 G CA -0.671 44.385 45.100 -0.074 0.000 0.811 536 G HN 0.075 nan 8.290 nan 0.000 0.482 537 F N -2.491 117.469 119.950 0.018 0.000 2.807 537 F HA 0.893 5.422 4.527 0.004 0.000 0.316 537 F C -0.441 175.375 175.800 0.027 0.000 1.162 537 F CA -1.322 56.580 58.000 -0.163 0.000 0.910 537 F CB 1.080 39.703 39.000 -0.629 0.000 1.314 537 F HN 1.157 nan 8.300 nan 0.000 0.454 538 A N 1.753 124.660 122.820 0.146 0.000 2.356 538 A HA 0.923 5.244 4.320 0.003 0.000 0.323 538 A C -1.215 176.484 177.584 0.191 0.000 1.119 538 A CA -0.943 51.245 52.037 0.252 0.000 0.790 538 A CB 1.574 20.666 19.000 0.153 0.000 1.273 538 A HN 0.810 nan 8.150 nan 0.000 0.452 539 M N 1.515 121.336 119.600 0.369 0.000 2.395 539 M HA 0.463 4.945 4.480 0.003 0.000 0.307 539 M C 0.516 177.049 176.300 0.388 0.000 1.091 539 M CA -0.426 55.090 55.300 0.361 0.000 0.919 539 M CB 2.287 35.155 32.600 0.446 0.000 1.662 539 M HN 0.879 nan 8.290 nan 0.000 0.440 540 G N 1.655 110.668 108.800 0.354 0.000 2.572 540 G HA2 0.517 4.478 3.960 0.003 0.000 0.261 540 G HA3 0.517 4.478 3.960 0.003 0.000 0.261 540 G C -1.442 173.699 174.900 0.401 0.000 1.197 540 G CA -0.019 45.284 45.100 0.338 0.000 0.870 540 G HN 0.787 nan 8.290 nan 0.000 0.548 541 Y N -0.626 119.749 120.300 0.125 0.000 2.656 541 Y HA 0.724 5.276 4.550 0.003 0.000 0.334 541 Y C -0.828 175.154 175.900 0.137 0.000 1.179 541 Y CA -1.482 56.691 58.100 0.122 0.000 1.050 541 Y CB 1.332 39.808 38.460 0.028 0.000 1.308 541 Y HN 0.923 nan 8.280 nan 0.000 0.456 542 H N 0.920 119.958 119.070 -0.052 0.000 3.008 542 H HA 0.499 5.057 4.556 0.003 0.000 0.354 542 H C -1.945 173.464 175.328 0.135 0.000 1.252 542 H CA -0.927 55.019 56.048 -0.170 0.000 1.117 542 H CB 2.347 32.041 29.762 -0.114 0.000 1.857 542 H HN 0.778 nan 8.280 nan 0.000 0.547 543 Q N 0.896 120.727 119.800 0.051 0.000 2.325 543 Q HA 0.423 4.765 4.340 0.003 0.000 0.270 543 Q C -0.596 175.499 176.000 0.159 0.000 1.020 543 Q CA -0.306 55.529 55.803 0.054 0.000 0.785 543 Q CB 1.649 30.477 28.738 0.149 0.000 1.259 543 Q HN 1.068 nan 8.270 nan 0.000 0.452 544 G N 3.186 112.079 108.800 0.157 0.000 3.815 544 G HA2 0.061 4.023 3.960 0.003 0.000 0.265 544 G HA3 0.061 4.023 3.960 0.003 0.000 0.265 544 G C 0.267 175.235 174.900 0.113 0.000 1.026 544 G CA -0.104 45.115 45.100 0.199 0.000 0.868 544 G HN 0.569 nan 8.290 nan 0.000 0.476 545 D N 0.402 120.845 120.400 0.072 0.000 2.213 545 D HA 0.051 4.693 4.640 0.003 0.000 0.205 545 D C 1.296 177.620 176.300 0.040 0.000 0.961 545 D CA 1.117 55.145 54.000 0.047 0.000 0.853 545 D CB 1.024 41.840 40.800 0.026 0.000 0.967 545 D HN 0.373 nan 8.370 nan 0.000 0.496 546 V N -2.476 117.464 119.914 0.042 0.000 3.040 546 V HA 0.800 4.922 4.120 0.003 0.000 0.312 546 V C -0.623 175.495 176.094 0.040 0.000 1.115 546 V CA -1.381 60.941 62.300 0.035 0.000 0.998 546 V CB 1.713 33.554 31.823 0.030 0.000 1.042 546 V HN -0.003 nan 8.190 nan 0.000 0.433 547 A N 3.407 126.246 122.820 0.031 0.000 2.388 547 A HA 0.792 5.114 4.320 0.003 0.000 0.257 547 A C -1.670 175.933 177.584 0.031 0.000 1.095 547 A CA -0.959 51.096 52.037 0.029 0.000 0.791 547 A CB -0.423 18.589 19.000 0.020 0.000 1.029 547 A HN 0.954 nan 8.150 nan 0.000 0.489 548 P HA 0.374 nan 4.420 nan 0.000 0.286 548 P C -0.605 176.723 177.300 0.046 0.000 1.261 548 P CA -0.650 62.470 63.100 0.033 0.000 0.821 548 P CB 0.874 32.592 31.700 0.029 0.000 1.013 549 R N 1.191 121.717 120.500 0.043 0.000 2.756 549 R HA 0.152 4.494 4.340 0.003 0.000 0.264 549 R C 0.429 176.760 176.300 0.051 0.000 1.026 549 R CA 0.339 56.473 56.100 0.057 0.000 1.121 549 R CB 0.316 30.644 30.300 0.048 0.000 0.999 549 R HN 0.520 nan 8.270 nan 0.000 0.449 550 E N 0.679 120.917 120.200 0.063 0.000 2.227 550 E HA 0.456 4.808 4.350 0.003 0.000 0.268 550 E C -1.191 175.339 176.600 -0.116 0.000 0.907 550 E CA -0.862 55.550 56.400 0.021 0.000 0.786 550 E CB 2.503 32.294 29.700 0.152 0.000 1.191 550 E HN 0.126 nan 8.360 nan 0.000 0.411 551 V N 1.173 120.943 119.914 -0.240 0.000 2.686 551 V HA 0.805 4.927 4.120 0.003 0.000 0.306 551 V C 0.180 175.973 176.094 -0.503 0.000 1.065 551 V CA -0.404 61.656 62.300 -0.401 0.000 0.894 551 V CB 1.676 33.360 31.823 -0.231 0.000 1.004 551 V HN 0.927 nan 8.190 nan 0.000 0.424 552 G N 3.300 111.672 108.800 -0.713 0.000 2.474 552 G HA2 0.663 4.625 3.960 0.003 0.000 0.234 552 G HA3 0.663 4.625 3.960 0.003 0.000 0.234 552 G C -1.916 172.923 174.900 -0.101 0.000 1.204 552 G CA 0.024 44.941 45.100 -0.306 0.000 0.939 552 G HN 1.214 nan 8.290 nan 0.000 0.491 553 L N -2.784 118.540 121.223 0.168 0.000 2.415 553 L HA 0.949 5.291 4.340 0.003 0.000 0.256 553 L C -1.571 175.327 176.870 0.047 0.000 1.010 553 L CA -1.207 53.755 54.840 0.203 0.000 0.826 553 L CB 1.637 43.853 42.059 0.261 0.000 1.405 553 L HN 0.359 nan 8.230 nan 0.000 0.410 554 F N 1.482 121.634 119.950 0.338 0.000 2.426 554 F HA 0.518 5.046 4.527 0.002 0.000 0.348 554 F C -0.643 175.293 175.800 0.227 0.000 1.124 554 F CA -0.408 57.696 58.000 0.173 0.000 1.008 554 F CB 1.471 40.459 39.000 -0.020 0.000 1.139 554 F HN 0.480 nan 8.300 nan 0.000 0.452 555 Y N 4.315 124.702 120.300 0.146 0.000 2.335 555 Y HA 0.501 5.053 4.550 0.002 0.000 0.339 555 Y C -1.473 174.349 175.900 -0.130 0.000 0.987 555 Y CA -2.253 55.866 58.100 0.030 0.000 1.140 555 Y CB 0.540 38.990 38.460 -0.016 0.000 1.173 555 Y HN 0.446 nan 8.280 nan 0.000 0.486 556 F N 9.213 128.885 119.950 -0.463 0.000 2.303 556 F HA 0.349 4.877 4.527 0.002 0.000 0.368 556 F C -1.620 173.620 175.800 -0.933 0.000 1.105 556 F CA -1.945 55.655 58.000 -0.666 0.000 1.153 556 F CB 1.051 39.533 39.000 -0.863 0.000 1.362 556 F HN 0.462 nan 8.300 nan 0.000 0.511 557 P HA -0.104 nan 4.420 nan 0.000 0.222 557 P C 0.084 177.214 177.300 -0.284 0.000 1.153 557 P CA 1.212 63.825 63.100 -0.811 0.000 0.798 557 P CB 0.408 31.725 31.700 -0.638 0.000 0.796 558 D N -1.014 119.276 120.400 -0.183 0.000 2.405 558 D HA 0.359 5.000 4.640 0.003 0.000 0.264 558 D C 0.692 177.016 176.300 0.039 0.000 1.240 558 D CA -0.647 53.348 54.000 -0.008 0.000 0.893 558 D CB 0.352 41.165 40.800 0.023 0.000 1.198 558 D HN -0.163 nan 8.370 nan 0.000 0.514 559 A N 2.093 124.912 122.820 -0.001 0.000 2.119 559 A HA 0.014 4.336 4.320 0.003 0.000 0.217 559 A C 1.397 179.053 177.584 0.121 0.000 1.153 559 A CA 0.637 52.653 52.037 -0.034 0.000 0.692 559 A CB -0.430 18.312 19.000 -0.430 0.000 0.799 559 A HN 0.462 nan 8.150 nan 0.000 0.458 560 F N 0.385 120.487 119.950 0.253 0.000 2.094 560 F HA -0.046 4.483 4.527 0.003 0.000 0.291 560 F C 2.287 178.209 175.800 0.204 0.000 1.109 560 F CA 1.475 59.699 58.000 0.375 0.000 1.221 560 F CB -0.252 38.955 39.000 0.345 0.000 1.014 560 F HN 0.184 nan 8.300 nan 0.000 0.473 561 N N -0.732 118.139 118.700 0.285 0.000 2.300 561 N HA -0.021 4.721 4.740 0.003 0.000 0.179 561 N C 0.146 175.696 175.510 0.068 0.000 1.016 561 N CA 0.940 54.071 53.050 0.136 0.000 0.876 561 N CB -0.006 38.549 38.487 0.115 0.000 0.979 561 N HN 0.031 nan 8.380 nan 0.000 0.432 562 S N 1.132 116.879 115.700 0.078 0.000 2.300 562 S HA 0.222 4.694 4.470 0.003 0.000 0.172 562 S C -1.982 172.673 174.600 0.093 0.000 1.484 562 S CA -0.861 57.368 58.200 0.048 0.000 1.265 562 S CB 1.801 65.008 63.200 0.011 0.000 1.313 562 S HN 0.154 nan 8.310 nan 0.000 0.387 563 P HA -0.019 nan 4.420 nan 0.000 0.225 563 P C 1.016 178.505 177.300 0.314 0.000 1.148 563 P CA 0.862 64.092 63.100 0.217 0.000 0.779 563 P CB 0.122 31.929 31.700 0.177 0.000 0.780 564 S N -0.834 114.984 115.700 0.198 0.000 2.522 564 S HA -0.025 4.447 4.470 0.003 0.000 0.227 564 S C 1.003 175.671 174.600 0.112 0.000 0.986 564 S CA 0.203 58.511 58.200 0.181 0.000 0.929 564 S CB -0.716 62.526 63.200 0.070 0.000 0.769 564 S HN 0.201 nan 8.310 nan 0.000 0.529 565 N N 1.149 119.871 118.700 0.037 0.000 2.437 565 N HA 0.421 5.162 4.740 0.003 0.000 0.259 565 N C -1.006 174.309 175.510 -0.324 0.000 0.983 565 N CA -0.612 52.324 53.050 -0.190 0.000 0.937 565 N CB 0.464 38.860 38.487 -0.150 0.000 1.122 565 N HN 0.262 nan 8.380 nan 0.000 0.499 566 Y N 0.508 120.501 120.300 -0.511 0.000 2.625 566 Y HA 0.730 5.282 4.550 0.003 0.000 0.338 566 Y C -1.480 174.196 175.900 -0.372 0.000 1.123 566 Y CA -1.382 56.275 58.100 -0.739 0.000 1.046 566 Y CB 0.793 38.343 38.460 -1.517 0.000 1.299 566 Y HN 0.106 nan 8.280 nan 0.000 0.464 567 V N 3.343 123.204 119.914 -0.089 0.000 2.656 567 V HA 0.625 4.747 4.120 0.003 0.000 0.307 567 V C -1.144 175.114 176.094 0.274 0.000 1.051 567 V CA -0.956 61.365 62.300 0.035 0.000 0.893 567 V CB 1.674 33.505 31.823 0.013 0.000 0.999 567 V HN 0.903 nan 8.190 nan 0.000 0.426 568 R N 6.426 127.099 120.500 0.288 0.000 2.254 568 R HA 0.585 4.926 4.340 0.003 0.000 0.318 568 R C -0.816 175.597 176.300 0.188 0.000 1.031 568 R CA -0.453 55.815 56.100 0.280 0.000 0.905 568 R CB 0.556 31.028 30.300 0.287 0.000 1.050 568 R HN 0.658 nan 8.270 nan 0.000 0.456 569 R N 2.871 123.489 120.500 0.198 0.000 2.483 569 R HA 0.241 4.583 4.340 0.003 0.000 0.303 569 R C -0.442 176.026 176.300 0.281 0.000 0.987 569 R CA -0.621 55.613 56.100 0.223 0.000 0.881 569 R CB 2.426 32.848 30.300 0.203 0.000 1.177 569 R HN 0.603 nan 8.270 nan 0.000 0.451 570 Q N 2.429 122.380 119.800 0.253 0.000 2.227 570 Q HA 0.390 4.732 4.340 0.003 0.000 0.245 570 Q C 0.740 176.839 176.000 0.164 0.000 0.926 570 Q CA -0.643 55.254 55.803 0.156 0.000 0.895 570 Q CB 1.867 30.672 28.738 0.112 0.000 1.230 570 Q HN 0.559 nan 8.270 nan 0.000 0.450 571 I N -1.459 118.992 120.570 -0.198 0.000 3.138 571 I HA 0.311 4.483 4.170 0.003 0.000 0.288 571 I C -2.266 173.696 176.117 -0.259 0.000 1.148 571 I CA -2.308 58.589 61.300 -0.671 0.000 1.315 571 I CB -0.011 37.324 38.000 -1.110 0.000 1.426 571 I HN 0.317 nan 8.210 nan 0.000 0.615 572 P HA 0.009 nan 4.420 nan 0.000 0.267 572 P C 0.552 177.896 177.300 0.073 0.000 1.200 572 P CA 0.010 63.158 63.100 0.081 0.000 0.772 572 P CB 0.799 32.641 31.700 0.238 0.000 0.855 573 S N 2.349 118.080 115.700 0.051 0.000 2.400 573 S HA -0.256 4.216 4.470 0.003 0.000 0.232 573 S C 1.580 176.162 174.600 -0.030 0.000 1.025 573 S CA 1.489 59.697 58.200 0.013 0.000 0.993 573 S CB -1.069 62.139 63.200 0.013 0.000 0.808 573 S HN 0.683 nan 8.310 nan 0.000 0.478 574 E N 0.050 120.199 120.200 -0.085 0.000 2.265 574 E HA -0.182 4.170 4.350 0.003 0.000 0.196 574 E C 1.068 177.456 176.600 -0.353 0.000 0.996 574 E CA 1.028 57.270 56.400 -0.262 0.000 0.832 574 E CB -0.502 28.947 29.700 -0.418 0.000 0.756 574 E HN 0.785 nan 8.360 nan 0.000 0.491 575 Y N 0.757 121.041 120.300 -0.028 0.000 2.458 575 Y HA 0.253 4.804 4.550 0.003 0.000 0.256 575 Y C 1.441 177.303 175.900 -0.064 0.000 1.159 575 Y CA 0.024 58.111 58.100 -0.022 0.000 1.261 575 Y CB 0.551 39.034 38.460 0.039 0.000 1.119 575 Y HN 0.061 nan 8.280 nan 0.000 0.524 576 E N 0.317 120.534 120.200 0.028 0.000 2.230 576 E HA -0.003 4.349 4.350 0.003 0.000 0.192 576 E C -1.781 174.813 176.600 -0.009 0.000 0.987 576 E CA -0.323 56.070 56.400 -0.011 0.000 0.841 576 E CB -0.848 28.837 29.700 -0.024 0.000 0.783 576 E HN 0.261 nan 8.360 nan 0.000 0.481 577 P HA -0.033 nan 4.420 nan 0.000 0.269 577 P C -0.761 176.530 177.300 -0.016 0.000 1.209 577 P CA 0.542 63.632 63.100 -0.018 0.000 0.776 577 P CB 0.350 32.031 31.700 -0.032 0.000 0.876 578 D N -1.042 119.349 120.400 -0.016 0.000 2.751 578 D HA -0.179 4.462 4.640 0.003 0.000 0.233 578 D C -0.177 176.106 176.300 -0.029 0.000 1.149 578 D CA 1.450 55.437 54.000 -0.022 0.000 0.682 578 D CB -1.314 39.465 40.800 -0.033 0.000 1.068 578 D HN 0.490 nan 8.370 nan 0.000 0.429 579 A N -0.244 122.552 122.820 -0.040 0.000 2.475 579 A HA 0.819 5.141 4.320 0.003 0.000 0.301 579 A C 0.078 177.563 177.584 -0.164 0.000 1.059 579 A CA 0.285 52.281 52.037 -0.067 0.000 0.710 579 A CB 2.289 21.272 19.000 -0.029 0.000 1.288 579 A HN 0.463 nan 8.150 nan 0.000 0.408 580 S N 0.265 115.813 115.700 -0.254 0.000 2.672 580 S HA 0.632 5.104 4.470 0.003 0.000 0.271 580 S C -0.689 173.689 174.600 -0.369 0.000 1.171 580 S CA -0.226 57.614 58.200 -0.601 0.000 0.817 580 S CB 0.513 63.157 63.200 -0.925 0.000 1.150 580 S HN 1.086 nan 8.310 nan 0.000 0.478 581 E N 1.017 120.989 120.200 -0.379 0.000 2.197 581 E HA -0.122 4.229 4.350 0.003 0.000 0.184 581 E C -2.415 174.073 176.600 -0.188 0.000 1.439 581 E CA 0.612 56.770 56.400 -0.404 0.000 0.688 581 E CB -1.340 28.002 29.700 -0.598 0.000 1.090 581 E HN 0.541 nan 8.360 nan 0.000 0.341 582 P HA 0.056 nan 4.420 nan 0.000 0.275 582 P C -0.079 177.511 177.300 0.483 0.000 1.227 582 P CA -0.326 62.912 63.100 0.230 0.000 0.781 582 P CB 0.905 32.693 31.700 0.147 0.000 0.906 583 C N 4.631 124.228 119.300 0.495 0.000 2.330 583 C HA 0.634 5.096 4.460 0.003 0.000 0.344 583 C C 0.851 176.201 174.990 0.600 0.000 1.273 583 C CA -0.223 59.120 59.018 0.542 0.000 1.879 583 C CB -0.958 27.142 27.740 0.599 0.000 2.376 583 C HN 0.481 nan 8.230 nan 0.000 0.534 584 I N 1.300 122.147 120.570 0.462 0.000 2.582 584 I HA 0.782 4.954 4.170 0.003 0.000 0.292 584 I C -0.851 175.478 176.117 0.353 0.000 1.066 584 I CA -0.533 61.062 61.300 0.491 0.000 1.053 584 I CB 1.682 39.916 38.000 0.389 0.000 1.241 584 I HN 0.309 nan 8.210 nan 0.000 0.421 585 K N 3.776 124.458 120.400 0.470 0.000 2.536 585 K HA 0.453 4.775 4.320 0.003 0.000 0.269 585 K C -2.059 174.826 176.600 0.476 0.000 0.965 585 K CA -0.820 55.649 56.287 0.303 0.000 0.860 585 K CB 2.835 35.390 32.500 0.092 0.000 1.423 585 K HN 0.727 nan 8.250 nan 0.000 0.438 586 Y N 1.123 121.437 120.300 0.023 0.000 2.338 586 Y HA 0.488 5.039 4.550 0.002 0.000 0.333 586 Y C -1.675 174.146 175.900 -0.132 0.000 0.968 586 Y CA -0.702 57.430 58.100 0.054 0.000 1.123 586 Y CB 1.109 39.574 38.460 0.007 0.000 1.165 586 Y HN 0.514 nan 8.280 nan 0.000 0.452 587 Y N 4.173 124.451 120.300 -0.037 0.000 2.396 587 Y HA 0.245 4.796 4.550 0.003 0.000 0.332 587 Y C -0.381 175.414 175.900 -0.175 0.000 1.034 587 Y CA -1.447 56.642 58.100 -0.018 0.000 1.057 587 Y CB 1.618 40.203 38.460 0.207 0.000 1.220 587 Y HN 0.646 nan 8.280 nan 0.000 0.440 588 D N 2.888 123.257 120.400 -0.051 0.000 2.686 588 D HA -0.189 4.452 4.640 0.003 0.000 0.235 588 D C 1.238 177.424 176.300 -0.189 0.000 1.160 588 D CA 2.037 55.997 54.000 -0.067 0.000 0.645 588 D CB -0.974 39.850 40.800 0.041 0.000 1.039 588 D HN 1.165 nan 8.370 nan 0.000 0.423 589 G N -2.203 106.316 108.800 -0.469 0.000 2.162 589 G HA2 -0.284 3.678 3.960 0.003 0.000 0.260 589 G HA3 -0.284 3.678 3.960 0.003 0.000 0.260 589 G C 0.290 175.005 174.900 -0.307 0.000 0.976 589 G CA 0.317 45.206 45.100 -0.353 0.000 0.655 589 G HN 0.663 nan 8.290 nan 0.000 0.533 590 V N 1.892 121.558 119.914 -0.413 0.000 2.487 590 V HA 0.630 4.751 4.120 0.003 0.000 0.298 590 V C 0.232 176.196 176.094 -0.217 0.000 1.028 590 V CA -1.126 60.985 62.300 -0.315 0.000 0.860 590 V CB 1.911 33.488 31.823 -0.409 0.000 0.991 590 V HN 0.292 nan 8.190 nan 0.000 0.427 591 L N 6.269 127.472 121.223 -0.034 0.000 2.265 591 L HA 0.537 4.878 4.340 0.003 0.000 0.288 591 L C -1.189 175.748 176.870 0.111 0.000 1.058 591 L CA 0.097 55.060 54.840 0.205 0.000 0.809 591 L CB 0.621 42.784 42.059 0.173 0.000 1.179 591 L HN 0.602 nan 8.230 nan 0.000 0.429 592 Y N 5.296 125.907 120.300 0.519 0.000 2.387 592 Y HA 0.583 5.135 4.550 0.003 0.000 0.336 592 Y C -0.005 176.251 175.900 0.593 0.000 1.067 592 Y CA -0.599 57.823 58.100 0.536 0.000 1.114 592 Y CB 2.035 40.811 38.460 0.526 0.000 1.208 592 Y HN 0.515 nan 8.280 nan 0.000 0.458 593 L N 4.798 126.376 121.223 0.592 0.000 2.438 593 L HA 0.690 5.032 4.340 0.003 0.000 0.270 593 L C -1.737 175.326 176.870 0.321 0.000 0.972 593 L CA -0.448 54.665 54.840 0.455 0.000 0.831 593 L CB 1.291 43.519 42.059 0.283 0.000 1.273 593 L HN 0.624 nan 8.230 nan 0.000 0.405 594 I N 3.650 124.417 120.570 0.327 0.000 2.466 594 I HA 0.369 4.540 4.170 0.003 0.000 0.289 594 I C 0.210 176.475 176.117 0.248 0.000 1.026 594 I CA -0.558 60.894 61.300 0.253 0.000 1.078 594 I CB 2.295 40.420 38.000 0.209 0.000 1.249 594 I HN 0.607 nan 8.210 nan 0.000 0.429 595 T N 2.701 117.370 114.554 0.191 0.000 2.899 595 T HA 0.414 4.765 4.350 0.003 0.000 0.284 595 T C -0.073 174.676 174.700 0.082 0.000 1.004 595 T CA -0.761 61.405 62.100 0.111 0.000 1.043 595 T CB 1.755 70.666 68.868 0.072 0.000 1.013 595 T HN 0.652 nan 8.240 nan 0.000 0.518 596 R N 0.560 121.067 120.500 0.013 0.000 2.297 596 R HA 0.543 4.884 4.340 0.003 0.000 0.308 596 R C 0.397 176.675 176.300 -0.037 0.000 1.029 596 R CA -0.536 55.551 56.100 -0.021 0.000 0.929 596 R CB 0.392 30.666 30.300 -0.044 0.000 1.046 596 R HN 0.925 nan 8.270 nan 0.000 0.461 597 G N 0.856 109.630 108.800 -0.044 0.000 2.395 597 G HA2 0.169 4.131 3.960 0.003 0.000 0.283 597 G HA3 0.169 4.131 3.960 0.003 0.000 0.283 597 G C 0.742 175.636 174.900 -0.010 0.000 1.178 597 G CA -0.385 44.694 45.100 -0.035 0.000 0.837 597 G HN 0.781 nan 8.290 nan 0.000 0.518 598 T N -1.279 113.271 114.554 -0.007 0.000 3.044 598 T HA 0.278 4.630 4.350 0.003 0.000 0.250 598 T C 0.908 175.628 174.700 0.033 0.000 1.081 598 T CA 0.025 62.157 62.100 0.054 0.000 1.040 598 T CB 0.208 69.095 68.868 0.031 0.000 0.962 598 T HN 0.415 nan 8.240 nan 0.000 0.506 599 R N -0.379 120.058 120.500 -0.105 0.000 2.564 599 R HA 0.539 4.881 4.340 0.003 0.000 0.284 599 R C 0.895 176.872 176.300 -0.538 0.000 1.031 599 R CA -0.595 55.367 56.100 -0.231 0.000 0.904 599 R CB 1.689 31.907 30.300 -0.136 0.000 1.199 599 R HN 0.154 nan 8.270 nan 0.000 0.443 600 G N 0.895 109.117 108.800 -0.963 0.000 2.744 600 G HA2 -0.168 3.794 3.960 0.003 0.000 0.211 600 G HA3 -0.168 3.794 3.960 0.003 0.000 0.211 600 G C 0.483 175.063 174.900 -0.532 0.000 1.143 600 G CA 0.421 44.734 45.100 -1.312 0.000 0.788 600 G HN 0.695 nan 8.290 nan 0.000 0.534 601 D N -1.021 119.179 120.400 -0.333 0.000 2.402 601 D HA 0.144 4.785 4.640 0.003 0.000 0.216 601 D C 0.770 176.985 176.300 -0.142 0.000 1.128 601 D CA -0.244 53.643 54.000 -0.188 0.000 0.833 601 D CB 0.602 41.322 40.800 -0.134 0.000 0.971 601 D HN -0.005 nan 8.370 nan 0.000 0.503 602 R N 0.176 120.582 120.500 -0.156 0.000 2.836 602 R HA 0.449 4.791 4.340 0.003 0.000 0.269 602 R C -0.130 176.109 176.300 -0.101 0.000 1.010 602 R CA -0.953 55.083 56.100 -0.107 0.000 0.930 602 R CB 1.433 31.681 30.300 -0.087 0.000 1.218 602 R HN 0.014 nan 8.270 nan 0.000 0.473 603 L N 1.149 122.330 121.223 -0.071 0.000 2.559 603 L HA 0.094 4.436 4.340 0.003 0.000 0.282 603 L C 1.365 178.214 176.870 -0.034 0.000 1.232 603 L CA 0.460 55.270 54.840 -0.049 0.000 0.885 603 L CB -0.023 42.011 42.059 -0.043 0.000 1.131 603 L HN 0.773 nan 8.230 nan 0.000 0.498 604 G N 1.595 110.386 108.800 -0.014 0.000 3.039 604 G HA2 0.292 4.254 3.960 0.003 0.000 0.159 604 G HA3 0.292 4.254 3.960 0.003 0.000 0.159 604 G C -0.452 174.482 174.900 0.058 0.000 1.284 604 G CA -0.504 44.588 45.100 -0.013 0.000 0.996 604 G HN 0.547 nan 8.290 nan 0.000 0.592 605 S N 0.000 115.732 115.700 0.053 0.000 2.561 605 S HA 0.353 4.825 4.470 0.003 0.000 0.294 605 S C 0.479 175.269 174.600 0.317 0.000 1.294 605 S CA 0.487 58.779 58.200 0.153 0.000 1.055 605 S CB 0.299 63.547 63.200 0.080 0.000 0.819 605 S HN 1.040 nan 8.310 nan 0.000 0.503 606 S N 2.074 117.912 115.700 0.230 0.000 2.599 606 S HA 0.778 5.250 4.470 0.003 0.000 0.287 606 S C -1.143 173.347 174.600 -0.182 0.000 1.105 606 S CA -1.036 57.138 58.200 -0.043 0.000 0.899 606 S CB 1.491 64.668 63.200 -0.038 0.000 1.100 606 S HN 0.516 nan 8.310 nan 0.000 0.482 607 L N 1.698 122.517 121.223 -0.673 0.000 2.365 607 L HA 0.698 5.039 4.340 0.003 0.000 0.273 607 L C -1.288 175.102 176.870 -0.799 0.000 1.000 607 L CA -0.102 54.413 54.840 -0.541 0.000 0.819 607 L CB 1.481 43.166 42.059 -0.623 0.000 1.284 607 L HN 0.929 nan 8.230 nan 0.000 0.418 608 H N 4.118 123.230 119.070 0.071 0.000 2.806 608 H HA 0.614 5.171 4.556 0.003 0.000 0.367 608 H C -1.028 174.603 175.328 0.504 0.000 1.136 608 H CA -0.805 55.364 56.048 0.202 0.000 1.178 608 H CB 2.196 31.771 29.762 -0.310 0.000 1.718 608 H HN 0.698 nan 8.280 nan 0.000 0.540 609 R N 0.362 121.202 120.500 0.566 0.000 2.744 609 R HA 0.722 5.063 4.340 0.003 0.000 0.279 609 R C -1.287 175.080 176.300 0.112 0.000 0.977 609 R CA -0.929 55.284 56.100 0.188 0.000 0.906 609 R CB 2.367 32.499 30.300 -0.279 0.000 1.197 609 R HN 0.454 nan 8.270 nan 0.000 0.463 610 S N 0.554 116.162 115.700 -0.153 0.000 2.548 610 S HA 0.397 4.868 4.470 0.003 0.000 0.276 610 S C -0.296 174.131 174.600 -0.289 0.000 1.129 610 S CA -0.888 57.094 58.200 -0.363 0.000 0.931 610 S CB 1.729 64.398 63.200 -0.885 0.000 1.068 610 S HN 0.790 nan 8.310 nan 0.000 0.480 611 R N 1.456 121.807 120.500 -0.250 0.000 2.427 611 R HA 0.197 4.538 4.340 0.003 0.000 0.262 611 R C -0.568 175.644 176.300 -0.147 0.000 0.943 611 R CA 0.291 56.290 56.100 -0.168 0.000 1.081 611 R CB 0.110 30.325 30.300 -0.142 0.000 1.166 611 R HN 0.671 nan 8.270 nan 0.000 0.534 612 D N -0.721 119.548 120.400 -0.219 0.000 2.760 612 D HA 0.077 4.719 4.640 0.003 0.000 0.314 612 D C 0.152 176.292 176.300 -0.266 0.000 1.464 612 D CA -0.552 53.330 54.000 -0.198 0.000 0.797 612 D CB -0.454 40.243 40.800 -0.172 0.000 1.149 612 D HN 0.093 nan 8.370 nan 0.000 0.455 613 I N 0.323 120.710 120.570 -0.306 0.000 6.532 613 I HA -0.251 3.921 4.170 0.003 0.000 0.126 613 I C 1.192 177.087 176.117 -0.371 0.000 1.811 613 I CA 0.694 61.763 61.300 -0.384 0.000 2.115 613 I CB -1.662 35.974 38.000 -0.606 0.000 3.474 613 I HN 0.522 nan 8.210 nan 0.000 0.192 614 G N 0.309 108.756 108.800 -0.589 0.000 2.141 614 G HA2 -0.269 3.693 3.960 0.003 0.000 0.231 614 G HA3 -0.269 3.693 3.960 0.003 0.000 0.231 614 G C 0.477 175.043 174.900 -0.557 0.000 0.984 614 G CA 0.443 45.038 45.100 -0.841 0.000 0.660 614 G HN 0.599 nan 8.290 nan 0.000 0.525 615 Q N -0.225 119.327 119.800 -0.414 0.000 2.123 615 Q HA 0.145 4.487 4.340 0.003 0.000 0.199 615 Q C 1.508 177.366 176.000 -0.238 0.000 0.966 615 Q CA 1.546 57.220 55.803 -0.216 0.000 0.845 615 Q CB 0.147 28.805 28.738 -0.132 0.000 0.907 615 Q HN 0.819 nan 8.270 nan 0.000 0.439 616 T N -3.029 111.284 114.554 -0.402 0.000 2.906 616 T HA 0.580 4.932 4.350 0.003 0.000 0.295 616 T C -1.506 172.927 174.700 -0.446 0.000 1.075 616 T CA -0.897 61.045 62.100 -0.263 0.000 1.005 616 T CB 1.394 70.190 68.868 -0.120 0.000 1.136 616 T HN 0.205 nan 8.240 nan 0.000 0.498 617 W N -0.142 121.164 121.300 0.009 0.000 3.031 617 W HA 0.628 5.291 4.660 0.005 0.000 0.337 617 W C -0.519 176.011 176.519 0.018 0.000 1.187 617 W CA -0.791 56.567 57.345 0.022 0.000 1.166 617 W CB 1.855 31.361 29.460 0.077 0.000 1.437 617 W HN 0.740 nan 8.180 nan 0.000 0.551 618 E N 1.030 121.391 120.200 0.269 0.000 2.195 618 E HA 0.733 5.085 4.350 0.003 0.000 0.271 618 E C -0.892 175.914 176.600 0.343 0.000 0.923 618 E CA -0.710 55.793 56.400 0.171 0.000 0.790 618 E CB 2.118 31.726 29.700 -0.153 0.000 1.155 618 E HN 0.219 nan 8.360 nan 0.000 0.402 619 S N 1.330 117.222 115.700 0.319 0.000 2.564 619 S HA 0.691 5.163 4.470 0.003 0.000 0.274 619 S C -1.462 173.069 174.600 -0.114 0.000 1.124 619 S CA -0.860 57.317 58.200 -0.039 0.000 0.869 619 S CB 1.175 64.158 63.200 -0.362 0.000 1.105 619 S HN 0.441 nan 8.310 nan 0.000 0.472 620 L N -0.610 120.286 121.223 -0.545 0.000 2.469 620 L HA 0.907 5.248 4.340 0.003 0.000 0.256 620 L C -1.031 175.504 176.870 -0.559 0.000 1.006 620 L CA -0.950 53.587 54.840 -0.504 0.000 0.832 620 L CB 1.532 43.149 42.059 -0.736 0.000 1.421 620 L HN 0.517 nan 8.230 nan 0.000 0.410 621 R N 1.066 121.386 120.500 -0.300 0.000 2.346 621 R HA 0.670 5.011 4.340 0.003 0.000 0.311 621 R C -1.354 174.780 176.300 -0.277 0.000 0.983 621 R CA -0.399 55.599 56.100 -0.171 0.000 0.880 621 R CB 0.559 30.876 30.300 0.028 0.000 1.100 621 R HN 0.595 nan 8.270 nan 0.000 0.453 622 F N 6.086 125.977 119.950 -0.097 0.000 2.471 622 F HA 0.263 4.792 4.527 0.003 0.000 0.353 622 F C -1.236 174.525 175.800 -0.065 0.000 1.113 622 F CA -1.353 56.612 58.000 -0.059 0.000 1.262 622 F CB 0.386 39.418 39.000 0.053 0.000 1.146 622 F HN 0.482 nan 8.300 nan 0.000 0.578 623 P HA 0.000 nan 4.420 nan 0.000 0.269 623 P C -0.582 176.690 177.300 -0.047 0.000 1.215 623 P CA 0.218 63.227 63.100 -0.151 0.000 0.780 623 P CB 0.307 31.810 31.700 -0.328 0.000 0.898 624 H N -0.140 118.946 119.070 0.027 0.000 2.941 624 H HA -0.137 4.420 4.556 0.003 0.000 0.279 624 H C -0.145 175.136 175.328 -0.078 0.000 1.247 624 H CA 0.636 56.674 56.048 -0.016 0.000 1.129 624 H CB -2.578 27.191 29.762 0.010 0.000 1.313 624 H HN 0.569 nan 8.280 nan 0.000 0.384 625 N N -2.064 116.636 118.700 0.001 0.000 2.696 625 N HA -0.150 4.592 4.740 0.003 0.000 0.256 625 N C -0.061 175.385 175.510 -0.108 0.000 1.031 625 N CA 0.928 53.934 53.050 -0.073 0.000 0.730 625 N CB -1.445 36.960 38.487 -0.137 0.000 0.894 625 N HN 0.290 nan 8.380 nan 0.000 0.544 626 V N 2.254 122.047 119.914 -0.202 0.000 2.540 626 V HA 0.092 4.213 4.120 0.003 0.000 0.297 626 V C 0.974 176.844 176.094 -0.373 0.000 1.024 626 V CA 0.352 62.329 62.300 -0.538 0.000 1.105 626 V CB 0.415 31.855 31.823 -0.639 0.000 0.938 626 V HN 0.602 nan 8.190 nan 0.000 0.482 627 H N 3.455 122.131 119.070 -0.658 0.000 3.017 627 H HA 0.394 4.951 4.556 0.003 0.000 0.346 627 H C 0.136 175.233 175.328 -0.386 0.000 1.286 627 H CA -0.709 55.053 56.048 -0.476 0.000 1.120 627 H CB 1.177 30.620 29.762 -0.531 0.000 1.860 627 H HN 0.608 nan 8.280 nan 0.000 0.542 628 H N -1.745 117.225 119.070 -0.166 0.000 3.641 628 H HA -0.164 4.394 4.556 0.003 0.000 0.193 628 H C -0.091 175.189 175.328 -0.081 0.000 1.013 628 H CA 1.633 57.612 56.048 -0.116 0.000 1.212 628 H CB -1.635 28.044 29.762 -0.139 0.000 1.089 628 H HN 0.845 nan 8.280 nan 0.000 0.339 629 T N 0.993 115.535 114.554 -0.022 0.000 2.863 629 T HA 0.514 4.866 4.350 0.003 0.000 0.285 629 T C 0.421 175.157 174.700 0.061 0.000 1.009 629 T CA 0.103 62.231 62.100 0.046 0.000 0.989 629 T CB 1.347 70.233 68.868 0.029 0.000 1.004 629 T HN 0.372 nan 8.240 nan 0.000 0.455 630 T N 2.516 117.171 114.554 0.168 0.000 2.828 630 T HA 0.522 4.874 4.350 0.003 0.000 0.290 630 T C 0.287 175.132 174.700 0.242 0.000 1.019 630 T CA -0.707 61.523 62.100 0.216 0.000 1.031 630 T CB 0.333 69.402 68.868 0.334 0.000 1.001 630 T HN 0.499 nan 8.240 nan 0.000 0.531 631 L N 2.224 123.614 121.223 0.279 0.000 2.637 631 L HA 0.335 4.677 4.340 0.003 0.000 0.241 631 L C -2.223 174.930 176.870 0.472 0.000 1.398 631 L CA -2.128 52.895 54.840 0.305 0.000 0.895 631 L CB 1.021 43.196 42.059 0.194 0.000 1.183 631 L HN 0.522 nan 8.230 nan 0.000 0.497 632 P HA 0.172 nan 4.420 nan 0.000 0.269 632 P C -0.838 176.796 177.300 0.557 0.000 1.215 632 P CA 0.264 63.656 63.100 0.486 0.000 0.780 632 P CB 0.854 32.804 31.700 0.416 0.000 0.898 633 F N -1.482 118.673 119.950 0.341 0.000 2.741 633 F HA 0.805 5.334 4.527 0.002 0.000 0.313 633 F C -1.944 174.053 175.800 0.329 0.000 1.153 633 F CA -1.344 56.848 58.000 0.320 0.000 0.931 633 F CB 0.763 39.909 39.000 0.244 0.000 1.335 633 F HN 0.518 nan 8.300 nan 0.000 0.460 634 A N 1.479 124.511 122.820 0.353 0.000 2.527 634 A HA 0.747 5.069 4.320 0.003 0.000 0.293 634 A C -1.701 175.989 177.584 0.178 0.000 1.117 634 A CA -1.103 51.098 52.037 0.273 0.000 0.723 634 A CB 2.001 21.165 19.000 0.273 0.000 1.313 634 A HN 0.923 nan 8.150 nan 0.000 0.411 635 K N 0.919 121.165 120.400 -0.257 0.000 2.240 635 K HA 0.614 4.936 4.320 0.003 0.000 0.271 635 K C -1.676 174.721 176.600 -0.338 0.000 1.018 635 K CA -0.281 55.703 56.287 -0.504 0.000 0.874 635 K CB 1.166 33.014 32.500 -1.087 0.000 1.098 635 K HN 0.406 nan 8.250 nan 0.000 0.458 636 V N 4.843 124.665 119.914 -0.153 0.000 2.409 636 V HA 0.423 4.544 4.120 0.003 0.000 0.290 636 V C 0.720 176.773 176.094 -0.068 0.000 1.017 636 V CA 0.008 62.266 62.300 -0.070 0.000 0.841 636 V CB 0.546 32.365 31.823 -0.007 0.000 1.003 636 V HN 1.177 nan 8.190 nan 0.000 0.426 637 G N 4.947 113.712 108.800 -0.058 0.000 2.611 637 G HA2 -0.279 3.683 3.960 0.003 0.000 0.301 637 G HA3 -0.279 3.683 3.960 0.003 0.000 0.301 637 G C 0.389 175.257 174.900 -0.055 0.000 1.233 637 G CA 0.675 45.749 45.100 -0.043 0.000 0.993 637 G HN 0.626 nan 8.290 nan 0.000 0.553 638 D N 2.009 122.385 120.400 -0.040 0.000 2.340 638 D HA 0.212 4.854 4.640 0.003 0.000 0.220 638 D C 0.151 176.421 176.300 -0.049 0.000 1.039 638 D CA 0.654 54.634 54.000 -0.033 0.000 0.866 638 D CB 0.038 40.828 40.800 -0.017 0.000 0.913 638 D HN 0.328 nan 8.370 nan 0.000 0.523 639 D N 0.209 120.567 120.400 -0.071 0.000 2.192 639 D HA 0.272 4.913 4.640 0.003 0.000 0.246 639 D C 0.395 176.631 176.300 -0.106 0.000 1.042 639 D CA -0.475 53.476 54.000 -0.081 0.000 0.847 639 D CB 1.951 42.710 40.800 -0.069 0.000 1.186 639 D HN -0.059 nan 8.370 nan 0.000 0.461 640 L N 1.983 123.135 121.223 -0.119 0.000 2.367 640 L HA 0.350 4.692 4.340 0.003 0.000 0.275 640 L C 0.389 177.249 176.870 -0.016 0.000 1.129 640 L CA -0.478 54.318 54.840 -0.074 0.000 0.839 640 L CB 0.624 42.588 42.059 -0.159 0.000 1.133 640 L HN 0.268 nan 8.230 nan 0.000 0.453 641 I N 6.029 126.655 120.570 0.094 0.000 2.354 641 I HA 0.342 4.513 4.170 0.003 0.000 0.286 641 I C -0.084 176.152 176.117 0.198 0.000 1.007 641 I CA -0.311 61.048 61.300 0.099 0.000 1.167 641 I CB 0.646 38.740 38.000 0.157 0.000 1.320 641 I HN 0.611 nan 8.210 nan 0.000 0.458 642 M N 5.164 124.791 119.600 0.046 0.000 2.535 642 M HA 0.618 5.100 4.480 0.003 0.000 0.314 642 M C -1.897 174.387 176.300 -0.027 0.000 1.153 642 M CA -0.473 54.941 55.300 0.190 0.000 0.924 642 M CB 2.149 34.861 32.600 0.186 0.000 1.710 642 M HN 0.326 nan 8.290 nan 0.000 0.451 643 F N 0.190 120.164 119.950 0.041 0.000 2.551 643 F HA 0.902 5.430 4.527 0.003 0.000 0.316 643 F C 0.378 176.057 175.800 -0.202 0.000 1.089 643 F CA -0.337 57.491 58.000 -0.288 0.000 0.915 643 F CB 2.628 40.931 39.000 -1.161 0.000 1.186 643 F HN 0.868 nan 8.300 nan 0.000 0.456 644 G N 0.203 109.038 108.800 0.059 0.000 2.690 644 G HA2 0.614 4.576 3.960 0.003 0.000 0.291 644 G HA3 0.614 4.576 3.960 0.003 0.000 0.291 644 G C -1.865 173.201 174.900 0.277 0.000 1.403 644 G CA -0.889 44.344 45.100 0.222 0.000 0.864 644 G HN 0.537 nan 8.290 nan 0.000 0.480 645 S N 0.079 116.018 115.700 0.399 0.000 2.614 645 S HA 0.420 4.891 4.470 0.003 0.000 0.288 645 S C -0.220 174.623 174.600 0.404 0.000 1.137 645 S CA -0.866 57.542 58.200 0.348 0.000 0.992 645 S CB 1.692 65.084 63.200 0.319 0.000 1.026 645 S HN 0.903 nan 8.310 nan 0.000 0.486 646 E N 2.624 123.088 120.200 0.441 0.000 2.404 646 E HA 0.209 4.560 4.350 0.003 0.000 0.261 646 E C 0.252 176.954 176.600 0.170 0.000 1.074 646 E CA -0.619 55.971 56.400 0.317 0.000 0.917 646 E CB 0.573 30.484 29.700 0.351 0.000 0.965 646 E HN 0.320 nan 8.360 nan 0.000 0.433 647 R N 0.905 121.458 120.500 0.088 0.000 2.210 647 R HA 0.231 4.572 4.340 0.003 0.000 0.203 647 R C 0.189 176.415 176.300 -0.123 0.000 1.010 647 R CA 0.827 56.934 56.100 0.011 0.000 1.008 647 R CB -0.141 30.137 30.300 -0.036 0.000 0.923 647 R HN 0.616 nan 8.270 nan 0.000 0.469 648 A N 0.476 123.203 122.820 -0.155 0.000 2.587 648 A HA 0.369 4.691 4.320 0.003 0.000 0.293 648 A C -1.102 176.462 177.584 -0.033 0.000 1.087 648 A CA -0.712 51.173 52.037 -0.253 0.000 0.692 648 A CB 1.407 20.011 19.000 -0.660 0.000 1.291 648 A HN 0.093 nan 8.150 nan 0.000 0.407 649 E N 0.809 121.029 120.200 0.033 0.000 2.413 649 E HA 0.173 4.525 4.350 0.003 0.000 0.263 649 E C -0.240 176.422 176.600 0.102 0.000 1.015 649 E CA 0.448 56.909 56.400 0.102 0.000 0.916 649 E CB 0.087 29.870 29.700 0.139 0.000 0.947 649 E HN 0.559 nan 8.360 nan 0.000 0.440 650 N N 2.866 121.651 118.700 0.142 0.000 2.818 650 N HA -0.179 4.563 4.740 0.003 0.000 0.250 650 N C -0.430 175.161 175.510 0.135 0.000 1.108 650 N CA 1.328 54.464 53.050 0.143 0.000 0.745 650 N CB -1.054 37.502 38.487 0.114 0.000 1.104 650 N HN 0.646 nan 8.380 nan 0.000 0.557 651 E N -1.521 118.767 120.200 0.148 0.000 2.431 651 E HA 0.040 4.392 4.350 0.003 0.000 0.200 651 E C 1.403 178.058 176.600 0.092 0.000 0.995 651 E CA -0.354 56.124 56.400 0.131 0.000 0.915 651 E CB 0.218 29.985 29.700 0.112 0.000 0.930 651 E HN 0.443 nan 8.360 nan 0.000 0.496 652 W N 2.712 123.969 121.300 -0.071 0.000 2.358 652 W HA -0.125 4.537 4.660 0.003 0.000 0.303 652 W C 0.086 176.526 176.519 -0.131 0.000 1.208 652 W CA 1.211 58.429 57.345 -0.211 0.000 1.274 652 W CB 0.171 29.516 29.460 -0.191 0.000 1.138 652 W HN -0.058 nan 8.180 nan 0.000 0.515 653 E N 0.344 120.634 120.200 0.150 0.000 2.404 653 E HA 0.261 4.612 4.350 0.003 0.000 0.261 653 E C 0.248 176.869 176.600 0.035 0.000 1.074 653 E CA 0.104 56.539 56.400 0.059 0.000 0.917 653 E CB 0.588 30.310 29.700 0.036 0.000 0.965 653 E HN 0.087 nan 8.360 nan 0.000 0.433 654 A N 1.822 124.623 122.820 -0.032 0.000 2.540 654 A HA 0.389 4.710 4.320 0.003 0.000 0.239 654 A C 1.412 178.948 177.584 -0.080 0.000 1.061 654 A CA 0.593 52.586 52.037 -0.074 0.000 0.758 654 A CB -0.709 18.286 19.000 -0.008 0.000 0.991 654 A HN 0.902 nan 8.150 nan 0.000 0.502 655 G N 0.739 109.461 108.800 -0.130 0.000 2.212 655 G HA2 0.099 4.061 3.960 0.003 0.000 0.266 655 G HA3 0.099 4.061 3.960 0.003 0.000 0.266 655 G C 0.623 175.488 174.900 -0.059 0.000 0.978 655 G CA 0.591 45.635 45.100 -0.093 0.000 0.632 655 G HN 2.271 nan 8.290 nan 0.000 0.537 656 A N 1.658 124.460 122.820 -0.030 0.000 2.450 656 A HA 0.640 4.962 4.320 0.003 0.000 0.255 656 A C -0.902 176.702 177.584 0.034 0.000 1.096 656 A CA -0.428 51.623 52.037 0.025 0.000 0.778 656 A CB 0.324 19.371 19.000 0.079 0.000 1.031 656 A HN 0.319 nan 8.150 nan 0.000 0.494 657 P HA 0.175 nan 4.420 nan 0.000 0.274 657 P C -0.766 176.585 177.300 0.085 0.000 1.231 657 P CA -0.396 62.734 63.100 0.050 0.000 0.790 657 P CB 0.529 32.254 31.700 0.042 0.000 0.951 658 D N 0.897 121.359 120.400 0.104 0.000 2.449 658 D HA 0.033 4.675 4.640 0.003 0.000 0.236 658 D C 0.173 176.506 176.300 0.055 0.000 1.149 658 D CA 0.932 54.989 54.000 0.095 0.000 0.878 658 D CB 0.052 40.906 40.800 0.090 0.000 1.198 658 D HN 0.349 nan 8.370 nan 0.000 0.446 659 D N 1.292 121.698 120.400 0.010 0.000 2.607 659 D HA 0.110 4.751 4.640 0.003 0.000 0.318 659 D C -0.604 175.677 176.300 -0.032 0.000 1.212 659 D CA -0.624 53.385 54.000 0.015 0.000 0.861 659 D CB 0.077 40.891 40.800 0.023 0.000 1.064 659 D HN 0.026 nan 8.370 nan 0.000 0.500 660 R N 0.634 121.145 120.500 0.018 0.000 2.797 660 R HA 0.405 4.746 4.340 0.003 0.000 0.251 660 R C 0.120 176.571 176.300 0.252 0.000 1.107 660 R CA -0.766 55.341 56.100 0.010 0.000 1.084 660 R CB 0.093 30.274 30.300 -0.199 0.000 1.205 660 R HN 0.400 nan 8.270 nan 0.000 0.515 661 Y N -1.238 119.252 120.300 0.316 0.000 4.569 661 Y HA -0.338 4.214 4.550 0.003 0.000 0.237 661 Y C 0.050 176.040 175.900 0.151 0.000 1.090 661 Y CA 1.272 59.490 58.100 0.196 0.000 2.052 661 Y CB -1.346 37.189 38.460 0.126 0.000 1.621 661 Y HN 0.585 nan 8.280 nan 0.000 0.682 662 K N -0.765 119.816 120.400 0.302 0.000 2.551 662 K HA 0.890 5.212 4.320 0.003 0.000 0.269 662 K C -0.686 176.017 176.600 0.172 0.000 0.949 662 K CA -0.654 55.744 56.287 0.186 0.000 0.849 662 K CB 1.747 34.339 32.500 0.153 0.000 1.411 662 K HN 0.119 nan 8.250 nan 0.000 0.432 663 A N 1.330 124.188 122.820 0.063 0.000 2.498 663 A HA 0.487 4.808 4.320 0.003 0.000 0.239 663 A C 0.025 177.656 177.584 0.078 0.000 1.068 663 A CA 0.563 52.611 52.037 0.018 0.000 0.766 663 A CB -0.252 18.747 19.000 -0.001 0.000 1.003 663 A HN 0.980 nan 8.150 nan 0.000 0.497 664 S N 0.468 116.193 115.700 0.041 0.000 2.727 664 S HA 0.628 5.100 4.470 0.003 0.000 0.278 664 S C -1.325 173.167 174.600 -0.179 0.000 1.186 664 S CA -0.607 57.613 58.200 0.033 0.000 0.836 664 S CB 0.586 63.882 63.200 0.159 0.000 1.186 664 S HN 0.579 nan 8.310 nan 0.000 0.499 665 Y N 1.852 122.208 120.300 0.093 0.000 2.837 665 Y HA 0.450 5.002 4.550 0.003 0.000 0.356 665 Y C -2.498 173.423 175.900 0.035 0.000 1.035 665 Y CA -2.004 56.122 58.100 0.044 0.000 1.165 665 Y CB 1.082 39.559 38.460 0.028 0.000 1.147 665 Y HN 0.420 nan 8.280 nan 0.000 0.628 666 P HA 0.040 nan 4.420 nan 0.000 0.266 666 P C -0.381 176.946 177.300 0.044 0.000 1.195 666 P CA 0.022 63.178 63.100 0.093 0.000 0.768 666 P CB 0.949 32.699 31.700 0.083 0.000 0.838 667 R N 1.261 121.745 120.500 -0.026 0.000 2.390 667 R HA 0.414 4.756 4.340 0.003 0.000 0.291 667 R C 0.331 176.390 176.300 -0.402 0.000 1.070 667 R CA -0.142 55.777 56.100 -0.302 0.000 1.014 667 R CB 0.387 30.361 30.300 -0.543 0.000 1.007 667 R HN 0.404 nan 8.270 nan 0.000 0.466 668 T N 3.611 117.890 114.554 -0.459 0.000 2.824 668 T HA 0.509 4.860 4.350 0.003 0.000 0.280 668 T C -0.794 173.536 174.700 -0.616 0.000 0.995 668 T CA -0.326 61.566 62.100 -0.346 0.000 1.009 668 T CB 0.503 69.304 68.868 -0.111 0.000 0.955 668 T HN 0.240 nan 8.240 nan 0.000 0.452 669 F N 2.103 121.866 119.950 -0.311 0.000 2.579 669 F HA 0.681 5.210 4.527 0.003 0.000 0.324 669 F C -0.332 175.401 175.800 -0.111 0.000 1.058 669 F CA -1.207 56.623 58.000 -0.283 0.000 0.944 669 F CB 1.482 40.136 39.000 -0.578 0.000 1.245 669 F HN 0.598 nan 8.300 nan 0.000 0.477 670 Y N 0.440 120.680 120.300 -0.099 0.000 2.605 670 Y HA 0.949 5.501 4.550 0.003 0.000 0.343 670 Y C -1.389 174.368 175.900 -0.239 0.000 1.036 670 Y CA -2.002 55.862 58.100 -0.393 0.000 1.065 670 Y CB 1.321 39.150 38.460 -1.051 0.000 1.288 670 Y HN 0.834 nan 8.280 nan 0.000 0.481 671 A N 2.240 124.660 122.820 -0.666 0.000 2.606 671 A HA 0.841 5.163 4.320 0.003 0.000 0.293 671 A C -1.508 175.714 177.584 -0.603 0.000 1.082 671 A CA -1.301 50.181 52.037 -0.924 0.000 0.685 671 A CB 1.696 19.855 19.000 -1.403 0.000 1.284 671 A HN 0.833 nan 8.150 nan 0.000 0.408 672 R N -0.183 120.001 120.500 -0.526 0.000 2.514 672 R HA 0.713 5.055 4.340 0.003 0.000 0.301 672 R C -1.740 174.381 176.300 -0.298 0.000 0.962 672 R CA -0.596 55.321 56.100 -0.305 0.000 0.882 672 R CB 1.608 31.777 30.300 -0.219 0.000 1.143 672 R HN 0.470 nan 8.270 nan 0.000 0.452 673 L N 2.129 123.223 121.223 -0.214 0.000 2.409 673 L HA 0.292 4.634 4.340 0.003 0.000 0.272 673 L C -0.401 176.394 176.870 -0.125 0.000 0.980 673 L CA -0.542 54.182 54.840 -0.193 0.000 0.826 673 L CB 1.803 43.736 42.059 -0.210 0.000 1.268 673 L HN 0.509 nan 8.230 nan 0.000 0.407 674 N N 1.998 120.639 118.700 -0.097 0.000 2.420 674 N HA 0.059 4.801 4.740 0.003 0.000 0.262 674 N C 1.098 176.633 175.510 0.041 0.000 1.144 674 N CA -0.015 53.012 53.050 -0.038 0.000 0.952 674 N CB 1.785 40.247 38.487 -0.041 0.000 1.081 674 N HN 0.566 nan 8.380 nan 0.000 0.480 675 V N 1.955 121.923 119.914 0.091 0.000 2.759 675 V HA -0.108 4.014 4.120 0.003 0.000 0.256 675 V C 1.376 177.608 176.094 0.231 0.000 1.080 675 V CA 1.443 63.900 62.300 0.261 0.000 1.101 675 V CB -0.680 31.294 31.823 0.251 0.000 0.698 675 V HN 0.571 nan 8.190 nan 0.000 0.477 676 N N 1.403 120.173 118.700 0.118 0.000 2.216 676 N HA -0.086 4.655 4.740 0.003 0.000 0.183 676 N C 1.602 177.175 175.510 0.104 0.000 1.017 676 N CA 1.411 54.511 53.050 0.083 0.000 0.861 676 N CB -0.273 38.237 38.487 0.039 0.000 0.986 676 N HN 0.493 nan 8.380 nan 0.000 0.428 677 N N 0.149 118.906 118.700 0.094 0.000 2.300 677 N HA -0.142 4.600 4.740 0.003 0.000 0.179 677 N C -0.087 175.511 175.510 0.147 0.000 1.016 677 N CA 0.317 53.411 53.050 0.074 0.000 0.876 677 N CB -0.230 38.262 38.487 0.009 0.000 0.979 677 N HN 0.345 nan 8.380 nan 0.000 0.432 678 W N 2.067 123.327 121.300 -0.066 0.000 6.562 678 W HA -0.257 4.406 4.660 0.004 0.000 0.418 678 W C -0.885 175.571 176.519 -0.104 0.000 1.645 678 W CA 0.282 57.579 57.345 -0.080 0.000 1.086 678 W CB -1.310 28.119 29.460 -0.052 0.000 2.865 678 W HN 0.057 nan 8.180 nan 0.000 1.517 679 N N 1.400 119.952 118.700 -0.246 0.000 2.542 679 N HA 0.445 5.187 4.740 0.003 0.000 0.288 679 N C -0.076 175.252 175.510 -0.302 0.000 1.115 679 N CA 0.413 53.304 53.050 -0.265 0.000 0.924 679 N CB 1.409 39.822 38.487 -0.123 0.000 1.526 679 N HN 0.079 nan 8.380 nan 0.000 0.515 680 A N 2.417 125.012 122.820 -0.374 0.000 2.379 680 A HA 0.172 4.494 4.320 0.003 0.000 0.236 680 A C 0.823 178.297 177.584 -0.183 0.000 1.272 680 A CA 0.041 51.888 52.037 -0.317 0.000 0.886 680 A CB 0.058 18.773 19.000 -0.474 0.000 0.962 680 A HN 0.617 nan 8.150 nan 0.000 0.504 681 D N 1.395 121.699 120.400 -0.160 0.000 2.178 681 D HA -0.136 4.505 4.640 0.003 0.000 0.201 681 D C 0.744 177.002 176.300 -0.070 0.000 0.980 681 D CA 1.654 55.587 54.000 -0.110 0.000 0.842 681 D CB -0.128 40.616 40.800 -0.093 0.000 0.948 681 D HN 0.691 nan 8.370 nan 0.000 0.472 682 D N -0.406 119.945 120.400 -0.081 0.000 2.340 682 D HA -0.005 4.637 4.640 0.003 0.000 0.217 682 D C 0.505 176.744 176.300 -0.102 0.000 1.081 682 D CA -0.406 53.555 54.000 -0.065 0.000 0.842 682 D CB 0.034 40.785 40.800 -0.082 0.000 0.934 682 D HN 0.009 nan 8.370 nan 0.000 0.511 683 I N 1.599 122.089 120.570 -0.133 0.000 2.813 683 I HA 0.062 4.234 4.170 0.003 0.000 0.287 683 I C 0.636 176.577 176.117 -0.294 0.000 1.196 683 I CA -0.599 60.536 61.300 -0.275 0.000 1.421 683 I CB -0.014 37.789 38.000 -0.328 0.000 1.365 683 I HN 0.027 nan 8.210 nan 0.000 0.591 684 E N 5.320 125.230 120.200 -0.484 0.000 2.141 684 E HA 0.190 4.542 4.350 0.003 0.000 0.259 684 E C -1.426 174.852 176.600 -0.537 0.000 0.883 684 E CA -0.355 55.751 56.400 -0.491 0.000 0.744 684 E CB 0.743 29.922 29.700 -0.870 0.000 1.150 684 E HN 0.389 nan 8.360 nan 0.000 0.420 685 W N 2.764 123.974 121.300 -0.150 0.000 2.345 685 W HA 0.269 4.930 4.660 0.003 0.000 0.308 685 W C -0.280 176.172 176.519 -0.112 0.000 1.273 685 W CA -0.567 56.621 57.345 -0.263 0.000 1.243 685 W CB 0.848 29.995 29.460 -0.522 0.000 1.260 685 W HN 0.186 nan 8.180 nan 0.000 0.509 686 V N 4.434 124.375 119.914 0.046 0.000 2.357 686 V HA 0.124 4.246 4.120 0.003 0.000 0.284 686 V C 0.119 176.240 176.094 0.045 0.000 1.018 686 V CA -1.280 61.030 62.300 0.017 0.000 0.841 686 V CB 1.047 32.791 31.823 -0.132 0.000 0.991 686 V HN 0.545 nan 8.190 nan 0.000 0.437 687 N N 4.449 123.041 118.700 -0.180 0.000 2.405 687 N HA 0.228 4.969 4.740 0.003 0.000 0.260 687 N C 0.840 176.231 175.510 -0.198 0.000 1.152 687 N CA -0.252 52.486 53.050 -0.519 0.000 0.948 687 N CB 0.765 38.804 38.487 -0.747 0.000 1.111 687 N HN 0.819 nan 8.380 nan 0.000 0.485 688 I N 0.126 120.581 120.570 -0.191 0.000 4.187 688 I HA 0.258 4.429 4.170 0.003 0.000 0.326 688 I C -0.313 175.765 176.117 -0.066 0.000 1.302 688 I CA -0.158 61.076 61.300 -0.111 0.000 1.196 688 I CB 0.561 38.389 38.000 -0.286 0.000 1.095 688 I HN 0.266 nan 8.210 nan 0.000 0.411 689 T N -1.732 112.766 114.554 -0.093 0.000 2.886 689 T HA 0.458 4.810 4.350 0.003 0.000 0.330 689 T C -1.518 173.165 174.700 -0.029 0.000 1.488 689 T CA -0.786 61.328 62.100 0.023 0.000 1.054 689 T CB 2.457 71.427 68.868 0.171 0.000 1.348 689 T HN -0.081 nan 8.240 nan 0.000 0.489 690 D N 1.131 121.537 120.400 0.010 0.000 2.350 690 D HA 0.670 5.312 4.640 0.003 0.000 0.245 690 D C -0.226 176.091 176.300 0.028 0.000 1.036 690 D CA -0.354 53.658 54.000 0.020 0.000 0.848 690 D CB 2.054 42.884 40.800 0.050 0.000 1.307 690 D HN 0.389 nan 8.370 nan 0.000 0.469 691 Q N 0.288 120.098 119.800 0.017 0.000 2.207 691 Q HA 0.650 4.992 4.340 0.003 0.000 0.237 691 Q C -0.416 175.538 176.000 -0.077 0.000 0.998 691 Q CA -0.587 55.159 55.803 -0.095 0.000 0.951 691 Q CB 1.569 30.255 28.738 -0.087 0.000 1.213 691 Q HN 0.405 nan 8.270 nan 0.000 0.499 692 I N 0.724 121.159 120.570 -0.225 0.000 2.441 692 I HA 0.302 4.474 4.170 0.003 0.000 0.295 692 I C -1.175 174.822 176.117 -0.200 0.000 0.994 692 I CA -0.981 60.108 61.300 -0.351 0.000 1.144 692 I CB 1.268 38.904 38.000 -0.608 0.000 1.314 692 I HN 0.522 nan 8.210 nan 0.000 0.445 693 Y N 5.866 126.010 120.300 -0.261 0.000 2.331 693 Y HA 0.198 4.749 4.550 0.003 0.000 0.338 693 Y C 1.069 176.867 175.900 -0.170 0.000 0.976 693 Y CA -0.192 57.804 58.100 -0.173 0.000 1.137 693 Y CB 1.233 39.635 38.460 -0.097 0.000 1.172 693 Y HN 0.595 nan 8.280 nan 0.000 0.478 694 Q N 4.483 123.856 119.800 -0.711 0.000 2.049 694 Q HA 0.031 4.372 4.340 0.003 0.000 0.198 694 Q C 1.389 177.031 176.000 -0.596 0.000 0.971 694 Q CA 2.010 57.494 55.803 -0.531 0.000 0.833 694 Q CB -0.206 28.288 28.738 -0.407 0.000 0.896 694 Q HN 1.260 nan 8.270 nan 0.000 0.434 695 G N -1.536 106.647 108.800 -1.027 0.000 2.176 695 G HA2 -0.240 3.721 3.960 0.003 0.000 0.232 695 G HA3 -0.240 3.721 3.960 0.003 0.000 0.232 695 G C 0.813 175.631 174.900 -0.137 0.000 0.986 695 G CA 0.591 45.355 45.100 -0.560 0.000 0.643 695 G HN 0.583 nan 8.290 nan 0.000 0.522 696 G N 0.173 108.881 108.800 -0.154 0.000 2.572 696 G HA2 0.429 4.391 3.960 0.003 0.000 0.216 696 G HA3 0.429 4.391 3.960 0.003 0.000 0.216 696 G C 0.852 175.876 174.900 0.207 0.000 1.133 696 G CA 1.220 46.340 45.100 0.033 0.000 0.791 696 G HN 1.540 nan 8.290 nan 0.000 0.538 697 I N -4.454 116.176 120.570 0.101 0.000 3.074 697 I HA 0.541 4.713 4.170 0.003 0.000 0.310 697 I C 0.946 177.036 176.117 -0.044 0.000 1.153 697 I CA -1.107 60.298 61.300 0.175 0.000 0.993 697 I CB 1.932 39.996 38.000 0.108 0.000 1.237 697 I HN -0.217 nan 8.210 nan 0.000 0.443 698 V N 2.684 122.486 119.914 -0.187 0.000 2.427 698 V HA -0.112 4.010 4.120 0.003 0.000 0.248 698 V C 0.993 177.049 176.094 -0.062 0.000 1.051 698 V CA 1.659 63.715 62.300 -0.406 0.000 1.048 698 V CB -0.923 30.716 31.823 -0.306 0.000 0.666 698 V HN 0.918 nan 8.190 nan 0.000 0.456 699 N N 0.331 119.063 118.700 0.052 0.000 2.444 699 N HA 0.303 5.045 4.740 0.003 0.000 0.255 699 N C -0.503 175.174 175.510 0.278 0.000 1.255 699 N CA 0.360 53.483 53.050 0.121 0.000 0.933 699 N CB 0.913 39.497 38.487 0.161 0.000 1.143 699 N HN 0.233 nan 8.380 nan 0.000 0.453 700 S N -1.358 114.502 115.700 0.267 0.000 2.538 700 S HA 0.605 5.077 4.470 0.003 0.000 0.288 700 S C 0.643 175.386 174.600 0.237 0.000 1.108 700 S CA -0.821 57.553 58.200 0.289 0.000 0.971 700 S CB 1.015 64.320 63.200 0.175 0.000 1.041 700 S HN 0.662 nan 8.310 nan 0.000 0.483 701 G N 2.266 111.138 108.800 0.119 0.000 3.042 701 G HA2 0.201 4.163 3.960 0.003 0.000 0.212 701 G HA3 0.201 4.163 3.960 0.003 0.000 0.212 701 G C 0.192 175.050 174.900 -0.071 0.000 1.166 701 G CA 0.028 45.097 45.100 -0.051 0.000 0.767 701 G HN 0.660 nan 8.290 nan 0.000 0.546 702 V N 1.089 121.020 119.914 0.029 0.000 2.599 702 V HA 0.479 4.601 4.120 0.003 0.000 0.300 702 V C 1.384 177.569 176.094 0.152 0.000 1.034 702 V CA 0.886 63.229 62.300 0.071 0.000 1.115 702 V CB 0.011 31.893 31.823 0.098 0.000 0.934 702 V HN 0.805 nan 8.190 nan 0.000 0.485 703 G N 3.586 112.549 108.800 0.271 0.000 2.496 703 G HA2 -0.011 3.951 3.960 0.003 0.000 0.243 703 G HA3 -0.011 3.951 3.960 0.003 0.000 0.243 703 G C 0.274 175.349 174.900 0.292 0.000 1.176 703 G CA 0.127 45.452 45.100 0.374 0.000 0.940 703 G HN 2.244 nan 8.290 nan 0.000 0.573 704 V N -2.477 117.628 119.914 0.319 0.000 5.771 704 V HA 0.170 4.292 4.120 0.003 0.000 0.180 704 V C 1.100 177.401 176.094 0.345 0.000 0.710 704 V CA 1.939 64.444 62.300 0.343 0.000 0.522 704 V CB -1.879 30.157 31.823 0.354 0.000 0.231 704 V HN 2.546 nan 8.190 nan 0.000 0.424 705 G N 0.698 109.737 108.800 0.398 0.000 2.857 705 G HA2 0.790 4.752 3.960 0.003 0.000 0.217 705 G HA3 0.790 4.752 3.960 0.003 0.000 0.217 705 G C -0.326 174.794 174.900 0.367 0.000 1.357 705 G CA -0.295 44.995 45.100 0.316 0.000 1.033 705 G HN 1.670 nan 8.290 nan 0.000 0.571 706 S N -2.447 113.450 115.700 0.329 0.000 2.547 706 S HA 0.586 5.058 4.470 0.003 0.000 0.270 706 S C -1.611 173.173 174.600 0.307 0.000 1.150 706 S CA -0.464 57.914 58.200 0.297 0.000 0.850 706 S CB 1.796 65.126 63.200 0.217 0.000 1.118 706 S HN 0.670 nan 8.310 nan 0.000 0.461 707 V N 3.438 123.515 119.914 0.271 0.000 2.656 707 V HA 0.837 4.959 4.120 0.003 0.000 0.307 707 V C -0.385 175.845 176.094 0.227 0.000 1.051 707 V CA -0.481 61.971 62.300 0.253 0.000 0.893 707 V CB 1.649 33.640 31.823 0.281 0.000 0.999 707 V HN 0.960 nan 8.190 nan 0.000 0.426 708 V N 2.512 122.579 119.914 0.254 0.000 3.078 708 V HA 0.854 4.975 4.120 0.003 0.000 0.311 708 V C -0.982 175.313 176.094 0.335 0.000 1.138 708 V CA -0.788 61.664 62.300 0.253 0.000 1.007 708 V CB 2.134 34.067 31.823 0.184 0.000 1.045 708 V HN 0.482 nan 8.190 nan 0.000 0.432 709 V N 2.192 122.288 119.914 0.303 0.000 2.513 709 V HA 0.640 4.762 4.120 0.003 0.000 0.299 709 V C -0.178 176.089 176.094 0.288 0.000 1.035 709 V CA -0.518 61.976 62.300 0.322 0.000 0.889 709 V CB 1.677 33.651 31.823 0.252 0.000 0.988 709 V HN 1.055 nan 8.190 nan 0.000 0.440 710 K N 3.882 124.500 120.400 0.365 0.000 2.507 710 K HA 0.428 4.750 4.320 0.003 0.000 0.252 710 K C -0.616 176.151 176.600 0.279 0.000 0.943 710 K CA -0.420 56.021 56.287 0.257 0.000 0.808 710 K CB 1.159 33.747 32.500 0.147 0.000 1.142 710 K HN 0.842 nan 8.250 nan 0.000 0.426 711 D N 1.984 122.493 120.400 0.182 0.000 3.528 711 D HA -0.267 4.374 4.640 0.003 0.000 0.163 711 D C -0.206 176.168 176.300 0.124 0.000 1.069 711 D CA 0.909 55.001 54.000 0.153 0.000 1.082 711 D CB -0.401 40.504 40.800 0.175 0.000 0.538 711 D HN 0.677 nan 8.370 nan 0.000 0.579 712 N N 0.570 119.304 118.700 0.057 0.000 2.453 712 N HA 0.207 4.949 4.740 0.003 0.000 0.270 712 N C -1.043 174.251 175.510 -0.359 0.000 1.195 712 N CA 0.122 53.101 53.050 -0.118 0.000 0.902 712 N CB -0.111 38.268 38.487 -0.179 0.000 1.186 712 N HN 0.238 nan 8.380 nan 0.000 0.510 713 Y N -0.183 120.139 120.300 0.037 0.000 2.446 713 Y HA 0.506 5.058 4.550 0.003 0.000 0.345 713 Y C 0.038 175.910 175.900 -0.048 0.000 0.984 713 Y CA -0.869 57.178 58.100 -0.088 0.000 1.058 713 Y CB 2.159 40.470 38.460 -0.249 0.000 1.220 713 Y HN -0.081 nan 8.280 nan 0.000 0.455 714 I N 2.607 123.184 120.570 0.012 0.000 2.562 714 I HA 0.481 4.652 4.170 0.003 0.000 0.301 714 I C -1.692 174.367 176.117 -0.097 0.000 1.003 714 I CA -0.891 60.476 61.300 0.113 0.000 1.127 714 I CB 1.256 39.394 38.000 0.230 0.000 1.304 714 I HN 0.580 nan 8.210 nan 0.000 0.446 715 Y N 6.402 126.782 120.300 0.134 0.000 2.346 715 Y HA 0.329 4.881 4.550 0.003 0.000 0.332 715 Y C -1.138 174.775 175.900 0.021 0.000 0.985 715 Y CA -0.636 57.523 58.100 0.098 0.000 1.112 715 Y CB 1.477 40.010 38.460 0.122 0.000 1.170 715 Y HN 0.396 nan 8.280 nan 0.000 0.447 716 Y N 4.782 125.001 120.300 -0.135 0.000 2.356 716 Y HA 0.629 5.181 4.550 0.003 0.000 0.334 716 Y C -1.173 174.827 175.900 0.167 0.000 0.958 716 Y CA -1.944 56.000 58.100 -0.261 0.000 1.196 716 Y CB 0.772 38.661 38.460 -0.953 0.000 1.137 716 Y HN 0.649 nan 8.280 nan 0.000 0.485 717 M N 8.781 128.394 119.600 0.022 0.000 2.180 717 M HA 0.498 4.979 4.480 0.003 0.000 0.350 717 M C -1.279 174.969 176.300 -0.086 0.000 1.125 717 M CA -0.392 54.887 55.300 -0.035 0.000 1.031 717 M CB 0.874 33.449 32.600 -0.043 0.000 1.623 717 M HN 0.622 nan 8.290 nan 0.000 0.451 718 F N -0.135 119.561 119.950 -0.424 0.000 2.773 718 F HA 0.902 5.430 4.527 0.003 0.000 0.314 718 F C -0.356 175.332 175.800 -0.187 0.000 1.160 718 F CA -1.404 56.364 58.000 -0.386 0.000 0.920 718 F CB 0.655 39.184 39.000 -0.785 0.000 1.323 718 F HN 0.529 nan 8.300 nan 0.000 0.457 719 G N -0.474 108.240 108.800 -0.143 0.000 2.476 719 G HA2 0.596 4.558 3.960 0.003 0.000 0.286 719 G HA3 0.596 4.558 3.960 0.003 0.000 0.286 719 G C -0.711 174.056 174.900 -0.222 0.000 1.177 719 G CA -0.484 44.490 45.100 -0.211 0.000 0.870 719 G HN 1.314 nan 8.290 nan 0.000 0.528 720 G N -0.487 108.233 108.800 -0.133 0.000 2.720 720 G HA2 0.594 4.555 3.960 0.003 0.000 0.295 720 G HA3 0.594 4.555 3.960 0.003 0.000 0.295 720 G C -0.887 173.949 174.900 -0.107 0.000 1.437 720 G CA -0.626 44.349 45.100 -0.208 0.000 0.886 720 G HN 0.568 nan 8.290 nan 0.000 0.509 721 E N -0.740 119.351 120.200 -0.181 0.000 2.518 721 E HA 0.591 4.943 4.350 0.003 0.000 0.248 721 E C -0.739 175.704 176.600 -0.261 0.000 1.028 721 E CA -0.695 55.577 56.400 -0.213 0.000 0.922 721 E CB 1.453 31.003 29.700 -0.249 0.000 1.299 721 E HN 0.646 nan 8.360 nan 0.000 0.457 722 D N -2.054 118.160 120.400 -0.309 0.000 2.732 722 D HA 0.170 4.812 4.640 0.003 0.000 0.292 722 D C -0.200 175.814 176.300 -0.477 0.000 1.135 722 D CA -0.547 53.194 54.000 -0.432 0.000 1.071 722 D CB 0.155 40.746 40.800 -0.348 0.000 1.457 722 D HN 0.434 nan 8.370 nan 0.000 0.547 723 H N -1.605 117.206 119.070 -0.431 0.000 2.547 723 H HA 0.226 4.784 4.556 0.003 0.000 0.266 723 H C -0.299 174.870 175.328 -0.267 0.000 0.988 723 H CA -0.200 55.635 56.048 -0.356 0.000 1.147 723 H CB -0.067 29.511 29.762 -0.308 0.000 1.365 723 H HN 0.050 nan 8.280 nan 0.000 0.589 724 F N 1.764 121.649 119.950 -0.109 0.000 2.438 724 F HA 0.077 4.606 4.527 0.003 0.000 0.360 724 F C 0.861 176.424 175.800 -0.393 0.000 1.118 724 F CA -1.184 56.705 58.000 -0.185 0.000 1.164 724 F CB -0.115 38.802 39.000 -0.137 0.000 1.131 724 F HN 0.154 nan 8.300 nan 0.000 0.527 725 N N 5.988 124.400 118.700 -0.480 0.000 2.454 725 N HA 0.034 4.775 4.740 0.003 0.000 0.254 725 N C -1.534 173.345 175.510 -1.052 0.000 1.228 725 N CA -1.196 51.307 53.050 -0.911 0.000 0.900 725 N CB 1.266 38.772 38.487 -1.634 0.000 1.089 725 N HN 0.208 nan 8.380 nan 0.000 0.449 726 P HA -0.021 nan 4.420 nan 0.000 0.237 726 P C -0.529 176.586 177.300 -0.309 0.000 1.178 726 P CA 0.521 63.348 63.100 -0.456 0.000 0.766 726 P CB -0.164 31.442 31.700 -0.158 0.000 0.876 727 W N -1.463 119.822 121.300 -0.026 0.000 4.435 727 W HA -0.189 4.473 4.660 0.003 0.000 0.351 727 W C 1.115 177.616 176.519 -0.030 0.000 1.319 727 W CA 0.187 57.526 57.345 -0.010 0.000 0.791 727 W CB -3.145 26.306 29.460 -0.015 0.000 2.419 727 W HN -0.077 nan 8.180 nan 0.000 1.406 728 T N -1.345 113.223 114.554 0.024 0.000 2.746 728 T HA -0.212 4.139 4.350 0.003 0.000 0.267 728 T C 0.491 175.095 174.700 -0.160 0.000 1.039 728 T CA 1.436 63.457 62.100 -0.131 0.000 1.142 728 T CB -0.248 68.415 68.868 -0.342 0.000 0.866 728 T HN 0.190 nan 8.240 nan 0.000 0.444 729 Y N 1.366 121.786 120.300 0.201 0.000 2.676 729 Y HA 0.535 5.087 4.550 0.003 0.000 0.338 729 Y C 1.022 177.068 175.900 0.244 0.000 1.057 729 Y CA -0.520 57.691 58.100 0.186 0.000 1.314 729 Y CB 0.486 39.045 38.460 0.165 0.000 1.164 729 Y HN 0.331 nan 8.280 nan 0.000 0.509 730 G N 1.882 110.862 108.800 0.300 0.000 2.332 730 G HA2 -0.131 3.831 3.960 0.003 0.000 0.265 730 G HA3 -0.131 3.831 3.960 0.003 0.000 0.265 730 G C -0.763 174.221 174.900 0.140 0.000 1.329 730 G CA -0.267 44.968 45.100 0.225 0.000 0.949 730 G HN 0.450 nan 8.290 nan 0.000 0.476 731 D N -0.689 119.755 120.400 0.072 0.000 2.336 731 D HA 0.152 4.794 4.640 0.003 0.000 0.229 731 D C 0.770 177.119 176.300 0.082 0.000 1.061 731 D CA 0.350 54.370 54.000 0.034 0.000 0.875 731 D CB 0.270 41.036 40.800 -0.057 0.000 0.904 731 D HN 0.263 nan 8.370 nan 0.000 0.525 732 N N 0.048 118.834 118.700 0.143 0.000 2.610 732 N HA 0.024 4.766 4.740 0.003 0.000 0.307 732 N C 0.676 176.250 175.510 0.107 0.000 1.813 732 N CA 0.236 53.361 53.050 0.125 0.000 0.901 732 N CB 0.433 39.004 38.487 0.140 0.000 1.354 732 N HN 0.049 nan 8.380 nan 0.000 0.491 733 S N -1.256 114.500 115.700 0.093 0.000 2.442 733 S HA -0.103 4.368 4.470 0.003 0.000 0.236 733 S C 1.838 176.482 174.600 0.073 0.000 1.007 733 S CA 0.884 59.126 58.200 0.069 0.000 0.965 733 S CB -0.135 63.114 63.200 0.081 0.000 0.773 733 S HN 0.309 nan 8.310 nan 0.000 0.504 734 A N 1.516 124.386 122.820 0.084 0.000 2.168 734 A HA 0.185 4.507 4.320 0.003 0.000 0.215 734 A C 1.170 178.824 177.584 0.118 0.000 1.152 734 A CA 0.780 52.871 52.037 0.090 0.000 0.716 734 A CB -0.633 18.420 19.000 0.088 0.000 0.794 734 A HN 0.581 nan 8.150 nan 0.000 0.465 735 K N -0.474 120.010 120.400 0.139 0.000 3.230 735 K HA -0.163 4.159 4.320 0.003 0.000 0.285 735 K C -0.570 176.185 176.600 0.259 0.000 1.196 735 K CA 0.706 57.138 56.287 0.241 0.000 0.838 735 K CB -1.648 30.998 32.500 0.244 0.000 1.262 735 K HN 0.601 nan 8.250 nan 0.000 0.492 736 D N 0.815 121.296 120.400 0.134 0.000 2.451 736 D HA 0.018 4.660 4.640 0.003 0.000 0.254 736 D C -1.386 174.869 176.300 -0.074 0.000 1.204 736 D CA -1.815 52.235 54.000 0.084 0.000 0.896 736 D CB 1.021 41.880 40.800 0.098 0.000 1.136 736 D HN -0.019 nan 8.370 nan 0.000 0.499 737 P HA -0.080 nan 4.420 nan 0.000 0.220 737 P C 0.580 177.424 177.300 -0.760 0.000 1.148 737 P CA 0.887 63.599 63.100 -0.646 0.000 0.803 737 P CB 0.016 30.997 31.700 -1.198 0.000 0.782 738 F N -0.789 119.122 119.950 -0.066 0.000 2.765 738 F HA 0.169 4.698 4.527 0.003 0.000 0.302 738 F C 1.017 176.800 175.800 -0.029 0.000 1.111 738 F CA 0.022 57.992 58.000 -0.051 0.000 1.359 738 F CB -0.488 38.498 39.000 -0.024 0.000 1.097 738 F HN -0.284 nan 8.300 nan 0.000 0.577 739 K N 0.095 120.513 120.400 0.029 0.000 2.156 739 K HA 0.429 4.751 4.320 0.003 0.000 0.271 739 K C 0.891 177.490 176.600 -0.002 0.000 0.995 739 K CA -0.083 56.223 56.287 0.033 0.000 0.890 739 K CB 1.467 33.993 32.500 0.043 0.000 1.073 739 K HN 0.040 nan 8.250 nan 0.000 0.454 740 S N 1.558 117.268 115.700 0.016 0.000 4.050 740 S HA -0.239 4.233 4.470 0.003 0.000 0.602 740 S C 0.496 175.053 174.600 -0.072 0.000 2.030 740 S CA 1.403 59.608 58.200 0.007 0.000 4.208 740 S CB -0.748 62.528 63.200 0.126 0.000 0.290 740 S HN 0.859 nan 8.310 nan 0.000 0.615 741 D N 3.353 123.678 120.400 -0.124 0.000 2.325 741 D HA 0.386 5.027 4.640 0.003 0.000 0.225 741 D C 1.309 177.484 176.300 -0.209 0.000 1.096 741 D CA 1.036 54.901 54.000 -0.225 0.000 0.844 741 D CB -0.327 40.231 40.800 -0.404 0.000 0.925 741 D HN 0.829 nan 8.370 nan 0.000 0.513 742 G N 1.179 109.826 108.800 -0.254 0.000 2.594 742 G HA2 -0.274 3.688 3.960 0.003 0.000 0.297 742 G HA3 -0.274 3.688 3.960 0.003 0.000 0.297 742 G C -0.177 174.398 174.900 -0.541 0.000 1.273 742 G CA -0.259 44.584 45.100 -0.428 0.000 0.974 742 G HN 0.386 nan 8.290 nan 0.000 0.552 743 H N 1.945 120.934 119.070 -0.135 0.000 2.473 743 H HA 0.370 4.928 4.556 0.003 0.000 0.327 743 H C -1.226 173.978 175.328 -0.206 0.000 1.105 743 H CA -1.062 54.890 56.048 -0.161 0.000 1.280 743 H CB 1.891 31.600 29.762 -0.087 0.000 1.450 743 H HN 0.313 nan 8.280 nan 0.000 0.492 744 P HA -0.023 nan 4.420 nan 0.000 0.231 744 P C 0.318 177.482 177.300 -0.226 0.000 1.168 744 P CA 0.199 63.195 63.100 -0.173 0.000 0.779 744 P CB 0.482 32.057 31.700 -0.208 0.000 0.844 745 S N 1.204 116.678 115.700 -0.376 0.000 2.516 745 S HA 0.182 4.654 4.470 0.003 0.000 0.282 745 S C 0.107 174.564 174.600 -0.238 0.000 1.286 745 S CA 0.334 58.308 58.200 -0.377 0.000 1.066 745 S CB 0.191 62.993 63.200 -0.662 0.000 0.884 745 S HN 0.102 nan 8.310 nan 0.000 0.491 746 D N 1.236 121.511 120.400 -0.208 0.000 2.579 746 D HA 0.402 5.044 4.640 0.003 0.000 0.257 746 D C -0.662 175.410 176.300 -0.380 0.000 1.176 746 D CA -0.520 53.305 54.000 -0.291 0.000 0.914 746 D CB 1.407 42.018 40.800 -0.316 0.000 1.431 746 D HN 0.275 nan 8.370 nan 0.000 0.454 747 L N 0.948 121.825 121.223 -0.576 0.000 2.357 747 L HA 0.453 4.795 4.340 0.003 0.000 0.273 747 L C -0.787 175.536 176.870 -0.911 0.000 1.080 747 L CA -0.552 53.917 54.840 -0.618 0.000 0.803 747 L CB 0.521 42.197 42.059 -0.639 0.000 1.174 747 L HN 0.305 nan 8.230 nan 0.000 0.443 748 Y N 0.202 120.091 120.300 -0.684 0.000 2.605 748 Y HA 0.531 5.083 4.550 0.003 0.000 0.343 748 Y C -0.317 175.290 175.900 -0.488 0.000 1.036 748 Y CA -0.794 56.930 58.100 -0.627 0.000 1.065 748 Y CB 2.043 40.022 38.460 -0.801 0.000 1.288 748 Y HN 0.473 nan 8.280 nan 0.000 0.481 749 C N 2.148 121.433 119.300 -0.025 0.000 2.516 749 C HA 0.494 4.956 4.460 0.003 0.000 0.338 749 C C -1.503 173.732 174.990 0.407 0.000 1.132 749 C CA -0.830 58.280 59.018 0.153 0.000 1.310 749 C CB -0.714 27.020 27.740 -0.009 0.000 1.898 749 C HN 0.787 nan 8.230 nan 0.000 0.452 750 Y N 5.162 125.697 120.300 0.391 0.000 2.383 750 Y HA 0.434 4.985 4.550 0.003 0.000 0.344 750 Y C 0.344 176.355 175.900 0.184 0.000 0.986 750 Y CA 0.238 58.531 58.100 0.321 0.000 1.175 750 Y CB 0.439 39.086 38.460 0.310 0.000 1.152 750 Y HN 0.724 nan 8.280 nan 0.000 0.511 751 K N 8.346 128.654 120.400 -0.154 0.000 2.263 751 K HA 0.376 4.697 4.320 0.003 0.000 0.272 751 K C -1.232 175.257 176.600 -0.185 0.000 1.033 751 K CA -0.632 55.521 56.287 -0.223 0.000 0.884 751 K CB 0.607 33.013 32.500 -0.157 0.000 1.107 751 K HN 0.856 nan 8.250 nan 0.000 0.460 752 M N 4.661 124.264 119.600 0.005 0.000 2.321 752 M HA 0.275 4.757 4.480 0.003 0.000 0.315 752 M C -1.092 175.262 176.300 0.091 0.000 1.052 752 M CA -0.743 54.643 55.300 0.144 0.000 0.936 752 M CB 1.457 34.226 32.600 0.282 0.000 1.639 752 M HN 0.505 nan 8.290 nan 0.000 0.433 753 K N 4.040 124.460 120.400 0.033 0.000 2.368 753 K HA 0.245 4.567 4.320 0.003 0.000 0.282 753 K C 0.073 176.557 176.600 -0.193 0.000 1.035 753 K CA -0.032 56.089 56.287 -0.277 0.000 0.973 753 K CB 0.472 32.828 32.500 -0.238 0.000 0.957 753 K HN 0.743 nan 8.250 nan 0.000 0.474 754 I N 0.108 120.530 120.570 -0.247 0.000 4.310 754 I HA 0.449 4.621 4.170 0.003 0.000 0.328 754 I C 0.124 176.164 176.117 -0.128 0.000 1.406 754 I CA -0.401 60.826 61.300 -0.122 0.000 1.174 754 I CB 1.095 39.070 38.000 -0.042 0.000 1.279 754 I HN 0.553 nan 8.210 nan 0.000 0.471 755 G N 0.092 108.777 108.800 -0.191 0.000 2.550 755 G HA2 0.598 4.560 3.960 0.003 0.000 0.293 755 G HA3 0.598 4.560 3.960 0.003 0.000 0.293 755 G C -3.440 171.365 174.900 -0.160 0.000 1.402 755 G CA -1.182 43.837 45.100 -0.135 0.000 0.784 755 G HN -0.174 nan 8.290 nan 0.000 0.482 756 P HA 0.207 nan 4.420 nan 0.000 0.269 756 P C -1.041 176.215 177.300 -0.073 0.000 1.209 756 P CA 0.036 63.090 63.100 -0.076 0.000 0.776 756 P CB 0.861 32.536 31.700 -0.042 0.000 0.876 757 D N 2.235 122.610 120.400 -0.043 0.000 2.460 757 D HA 0.107 4.749 4.640 0.003 0.000 0.232 757 D C -0.100 176.217 176.300 0.027 0.000 1.079 757 D CA -0.238 53.772 54.000 0.017 0.000 0.864 757 D CB 0.003 40.849 40.800 0.077 0.000 1.048 757 D HN 0.140 nan 8.370 nan 0.000 0.523 758 N N 3.126 121.842 118.700 0.027 0.000 2.322 758 N HA 0.093 4.835 4.740 0.003 0.000 0.216 758 N C 0.026 175.553 175.510 0.029 0.000 1.144 758 N CA 0.046 53.109 53.050 0.022 0.000 0.830 758 N CB 0.876 39.372 38.487 0.015 0.000 1.034 758 N HN 0.276 nan 8.380 nan 0.000 0.484 759 R N -0.143 120.381 120.500 0.040 0.000 2.854 759 R HA 0.439 4.781 4.340 0.003 0.000 0.271 759 R C -0.222 176.102 176.300 0.040 0.000 0.994 759 R CA -0.795 55.328 56.100 0.039 0.000 0.945 759 R CB 2.016 32.342 30.300 0.044 0.000 1.194 759 R HN -0.185 nan 8.270 nan 0.000 0.476 760 V N 1.425 121.359 119.914 0.034 0.000 3.032 760 V HA -0.076 4.045 4.120 0.003 0.000 0.307 760 V C 0.880 176.997 176.094 0.039 0.000 1.097 760 V CA 0.400 62.720 62.300 0.033 0.000 1.191 760 V CB 1.437 33.277 31.823 0.028 0.000 0.964 760 V HN 0.775 nan 8.190 nan 0.000 0.494 761 S N 2.418 118.141 115.700 0.039 0.000 2.558 761 S HA 0.102 4.574 4.470 0.003 0.000 0.288 761 S C 0.954 175.578 174.600 0.039 0.000 1.318 761 S CA -0.244 57.978 58.200 0.038 0.000 1.056 761 S CB 0.180 63.400 63.200 0.033 0.000 0.853 761 S HN 0.636 nan 8.310 nan 0.000 0.505 762 R N 1.765 122.283 120.500 0.029 0.000 2.334 762 R HA 0.284 4.625 4.340 0.003 0.000 0.216 762 R C -0.400 175.931 176.300 0.051 0.000 0.905 762 R CA -0.032 56.097 56.100 0.048 0.000 1.064 762 R CB -0.081 30.236 30.300 0.028 0.000 1.046 762 R HN 0.536 nan 8.270 nan 0.000 0.508 763 D N 0.813 121.206 120.400 -0.011 0.000 2.443 763 D HA 0.104 4.746 4.640 0.003 0.000 0.239 763 D C -0.161 176.146 176.300 0.012 0.000 1.136 763 D CA 0.555 54.492 54.000 -0.104 0.000 0.879 763 D CB 0.433 41.188 40.800 -0.076 0.000 1.195 763 D HN 0.022 nan 8.370 nan 0.000 0.443 764 F N -1.375 118.605 119.950 0.050 0.000 2.613 764 F HA 0.540 5.068 4.527 0.003 0.000 0.314 764 F C -0.121 175.726 175.800 0.078 0.000 1.075 764 F CA -1.562 56.468 58.000 0.051 0.000 0.945 764 F CB 1.286 40.311 39.000 0.042 0.000 1.310 764 F HN 0.025 nan 8.300 nan 0.000 0.467 765 R N 1.677 122.367 120.500 0.317 0.000 2.308 765 R HA 0.285 4.627 4.340 0.003 0.000 0.305 765 R C -1.634 174.915 176.300 0.416 0.000 1.053 765 R CA -0.592 55.672 56.100 0.272 0.000 0.957 765 R CB 0.642 31.032 30.300 0.150 0.000 1.022 765 R HN 0.897 nan 8.270 nan 0.000 0.461 766 Y N 3.422 123.901 120.300 0.298 0.000 2.436 766 Y HA 0.298 4.849 4.550 0.003 0.000 0.343 766 Y C 0.624 176.593 175.900 0.116 0.000 1.008 766 Y CA 0.486 58.735 58.100 0.248 0.000 1.241 766 Y CB 1.270 39.884 38.460 0.257 0.000 1.153 766 Y HN 0.845 nan 8.280 nan 0.000 0.521 767 G N 4.375 113.039 108.800 -0.226 0.000 3.596 767 G HA2 0.423 4.385 3.960 0.003 0.000 0.274 767 G HA3 0.423 4.385 3.960 0.003 0.000 0.274 767 G C -0.091 174.635 174.900 -0.290 0.000 1.007 767 G CA 0.241 45.243 45.100 -0.163 0.000 0.825 767 G HN 0.842 nan 8.290 nan 0.000 0.508 768 A N 0.027 122.466 122.820 -0.634 0.000 2.286 768 A HA 0.660 4.982 4.320 0.003 0.000 0.286 768 A C 0.164 177.620 177.584 -0.213 0.000 1.097 768 A CA -0.320 51.440 52.037 -0.462 0.000 0.821 768 A CB 1.074 19.709 19.000 -0.609 0.000 1.076 768 A HN 0.278 nan 8.150 nan 0.000 0.490 769 V N 2.969 122.827 119.914 -0.093 0.000 2.479 769 V HA 0.147 4.269 4.120 0.003 0.000 0.281 769 V C -1.964 174.162 176.094 0.053 0.000 1.031 769 V CA -0.633 61.667 62.300 -0.000 0.000 1.038 769 V CB 0.403 32.214 31.823 -0.019 0.000 0.981 769 V HN 0.736 nan 8.190 nan 0.000 0.478 770 P HA 0.177 nan 4.420 nan 0.000 0.265 770 P C -0.053 177.280 177.300 0.054 0.000 1.222 770 P CA 0.196 63.398 63.100 0.170 0.000 0.767 770 P CB 0.261 32.052 31.700 0.151 0.000 0.801 771 N N 2.349 121.068 118.700 0.033 0.000 2.387 771 N HA 0.102 4.843 4.740 0.003 0.000 0.259 771 N C 0.731 176.239 175.510 -0.003 0.000 1.369 771 N CA -0.073 52.955 53.050 -0.036 0.000 0.867 771 N CB 0.245 38.667 38.487 -0.109 0.000 1.341 771 N HN 0.028 nan 8.380 nan 0.000 0.495 772 R N -0.314 120.197 120.500 0.017 0.000 2.103 772 R HA 0.362 4.704 4.340 0.003 0.000 0.212 772 R C 1.746 178.043 176.300 -0.005 0.000 1.107 772 R CA 0.926 57.036 56.100 0.017 0.000 1.025 772 R CB -0.962 29.349 30.300 0.017 0.000 0.929 772 R HN 0.169 nan 8.270 nan 0.000 0.456 773 A N 0.975 123.787 122.820 -0.014 0.000 1.873 773 A HA 0.001 4.323 4.320 0.003 0.000 0.215 773 A C 0.865 178.420 177.584 -0.049 0.000 1.186 773 A CA 1.105 53.120 52.037 -0.037 0.000 0.616 773 A CB 0.087 19.069 19.000 -0.031 0.000 0.823 773 A HN 0.049 nan 8.150 nan 0.000 0.442 774 V N 1.142 121.034 119.914 -0.037 0.000 2.315 774 V HA 0.262 4.383 4.120 0.003 0.000 0.265 774 V C -2.918 173.148 176.094 -0.046 0.000 1.019 774 V CA -1.484 60.796 62.300 -0.033 0.000 0.824 774 V CB 0.898 32.709 31.823 -0.021 0.000 1.072 774 V HN 0.176 nan 8.190 nan 0.000 0.448 775 P HA 0.217 nan 4.420 nan 0.000 0.270 775 P C -0.450 176.742 177.300 -0.179 0.000 1.242 775 P CA 0.306 63.372 63.100 -0.056 0.000 0.768 775 P CB 0.943 32.747 31.700 0.172 0.000 0.820 776 V N 5.498 125.104 119.914 -0.514 0.000 2.555 776 V HA 0.516 4.638 4.120 0.003 0.000 0.302 776 V C -0.363 175.115 176.094 -1.026 0.000 1.038 776 V CA -0.356 61.638 62.300 -0.510 0.000 0.887 776 V CB 1.122 32.758 31.823 -0.311 0.000 0.991 776 V HN 0.316 nan 8.190 nan 0.000 0.434 777 F N 3.145 123.069 119.950 -0.042 0.000 2.547 777 F HA 0.572 5.100 4.527 0.003 0.000 0.316 777 F C -0.338 175.454 175.800 -0.014 0.000 1.121 777 F CA -0.712 57.301 58.000 0.023 0.000 0.911 777 F CB 1.524 40.538 39.000 0.022 0.000 1.179 777 F HN 0.277 nan 8.300 nan 0.000 0.443 778 F N 2.379 122.382 119.950 0.088 0.000 2.502 778 F HA 0.130 4.658 4.527 0.003 0.000 0.371 778 F C 0.841 176.694 175.800 0.087 0.000 1.083 778 F CA 0.010 58.048 58.000 0.063 0.000 1.174 778 F CB 0.039 39.056 39.000 0.029 0.000 1.096 778 F HN 0.446 nan 8.300 nan 0.000 0.545 779 D N 1.112 121.613 120.400 0.168 0.000 2.447 779 D HA 0.036 4.677 4.640 0.003 0.000 0.265 779 D C 1.514 177.887 176.300 0.120 0.000 1.250 779 D CA 0.159 54.234 54.000 0.126 0.000 1.046 779 D CB 0.927 41.770 40.800 0.071 0.000 1.095 779 D HN 0.530 nan 8.370 nan 0.000 0.555 780 T N -1.698 112.902 114.554 0.077 0.000 3.051 780 T HA -0.135 4.216 4.350 0.003 0.000 0.269 780 T C 1.245 175.979 174.700 0.057 0.000 1.127 780 T CA 0.916 63.052 62.100 0.061 0.000 1.107 780 T CB -0.210 68.680 68.868 0.038 0.000 0.898 780 T HN 0.286 nan 8.240 nan 0.000 0.517 781 N N 0.766 119.501 118.700 0.060 0.000 2.270 781 N HA 0.257 4.999 4.740 0.003 0.000 0.198 781 N C 1.277 176.833 175.510 0.078 0.000 1.117 781 N CA 0.590 53.672 53.050 0.053 0.000 0.845 781 N CB -0.203 38.305 38.487 0.035 0.000 0.980 781 N HN 0.567 nan 8.380 nan 0.000 0.486 782 G N -0.574 108.302 108.800 0.127 0.000 2.132 782 G HA2 -0.219 3.743 3.960 0.003 0.000 0.234 782 G HA3 -0.219 3.743 3.960 0.003 0.000 0.234 782 G C -0.472 174.568 174.900 0.234 0.000 0.989 782 G CA 0.386 45.614 45.100 0.213 0.000 0.676 782 G HN 0.203 nan 8.290 nan 0.000 0.522 783 V N 0.782 120.753 119.914 0.094 0.000 2.459 783 V HA 0.481 4.603 4.120 0.003 0.000 0.295 783 V C 1.073 177.037 176.094 -0.216 0.000 1.029 783 V CA -1.074 61.201 62.300 -0.041 0.000 0.874 783 V CB 1.537 33.346 31.823 -0.023 0.000 0.985 783 V HN 0.397 nan 8.190 nan 0.000 0.438 784 R N 2.468 122.685 120.500 -0.471 0.000 2.502 784 R HA 0.271 4.612 4.340 0.003 0.000 0.292 784 R C -0.193 175.967 176.300 -0.233 0.000 0.998 784 R CA 0.405 56.169 56.100 -0.560 0.000 1.056 784 R CB 0.107 30.087 30.300 -0.534 0.000 0.939 784 R HN 0.730 nan 8.270 nan 0.000 0.411 785 T N 2.516 116.990 114.554 -0.134 0.000 2.841 785 T HA 0.293 4.645 4.350 0.003 0.000 0.285 785 T C -0.648 174.097 174.700 0.076 0.000 0.991 785 T CA -0.645 61.453 62.100 -0.003 0.000 0.966 785 T CB 1.778 70.679 68.868 0.055 0.000 0.962 785 T HN 0.152 nan 8.240 nan 0.000 0.438 786 V N 6.274 126.225 119.914 0.062 0.000 2.328 786 V HA 0.309 4.431 4.120 0.003 0.000 0.278 786 V C -1.636 174.520 176.094 0.104 0.000 1.021 786 V CA -1.360 60.998 62.300 0.096 0.000 0.838 786 V CB 1.337 33.195 31.823 0.059 0.000 0.999 786 V HN 0.749 nan 8.190 nan 0.000 0.447 787 P HA 0.266 nan 4.420 nan 0.000 0.257 787 P C 0.422 177.750 177.300 0.047 0.000 1.241 787 P CA 0.122 63.263 63.100 0.068 0.000 0.816 787 P CB 0.483 32.199 31.700 0.026 0.000 1.150 788 A N 2.130 124.986 122.820 0.060 0.000 2.371 788 A HA 0.466 4.788 4.320 0.003 0.000 0.257 788 A C -2.097 175.497 177.584 0.017 0.000 1.089 788 A CA -1.167 50.887 52.037 0.028 0.000 0.794 788 A CB -0.631 18.383 19.000 0.023 0.000 1.029 788 A HN 0.030 nan 8.150 nan 0.000 0.488 789 P HA 0.341 nan 4.420 nan 0.000 0.271 789 P C -0.719 176.566 177.300 -0.025 0.000 1.218 789 P CA 0.387 63.485 63.100 -0.003 0.000 0.780 789 P CB 0.664 32.356 31.700 -0.014 0.000 0.901 790 M N 1.078 120.671 119.600 -0.012 0.000 2.569 790 M HA 0.330 4.812 4.480 0.003 0.000 0.279 790 M C -0.520 175.742 176.300 -0.063 0.000 1.253 790 M CA -0.696 54.551 55.300 -0.089 0.000 0.867 790 M CB 2.967 35.492 32.600 -0.125 0.000 1.727 790 M HN 0.176 nan 8.290 nan 0.000 0.467 791 E N 1.845 121.936 120.200 -0.183 0.000 2.165 791 E HA 0.467 4.818 4.350 0.003 0.000 0.266 791 E C -1.679 174.763 176.600 -0.263 0.000 0.889 791 E CA -0.195 56.140 56.400 -0.108 0.000 0.756 791 E CB 1.757 31.410 29.700 -0.078 0.000 1.131 791 E HN 0.415 nan 8.360 nan 0.000 0.411 792 F N 1.267 121.197 119.950 -0.032 0.000 2.361 792 F HA 0.139 4.667 4.527 0.003 0.000 0.364 792 F C 1.661 177.445 175.800 -0.026 0.000 1.117 792 F CA -0.409 57.566 58.000 -0.041 0.000 1.071 792 F CB 1.459 40.434 39.000 -0.042 0.000 1.188 792 F HN 0.338 nan 8.300 nan 0.000 0.464 793 T N -0.808 113.795 114.554 0.082 0.000 3.014 793 T HA 0.256 4.608 4.350 0.003 0.000 0.250 793 T C 1.023 175.759 174.700 0.060 0.000 1.060 793 T CA 0.149 62.292 62.100 0.072 0.000 1.040 793 T CB -0.083 68.829 68.868 0.074 0.000 0.971 793 T HN 0.551 nan 8.240 nan 0.000 0.497 794 G N 1.093 109.914 108.800 0.036 0.000 2.572 794 G HA2 0.427 4.389 3.960 0.003 0.000 0.261 794 G HA3 0.427 4.389 3.960 0.003 0.000 0.261 794 G C -0.914 174.010 174.900 0.041 0.000 1.197 794 G CA -0.624 44.485 45.100 0.014 0.000 0.870 794 G HN 0.233 nan 8.290 nan 0.000 0.548 795 D N -0.200 120.219 120.400 0.032 0.000 2.458 795 D HA 0.173 4.815 4.640 0.003 0.000 0.243 795 D C 0.207 176.513 176.300 0.010 0.000 1.146 795 D CA 0.697 54.713 54.000 0.026 0.000 0.877 795 D CB 1.143 41.960 40.800 0.028 0.000 1.176 795 D HN 0.044 nan 8.370 nan 0.000 0.461 796 L N 1.401 122.619 121.223 -0.008 0.000 2.346 796 L HA 0.568 4.910 4.340 0.003 0.000 0.276 796 L C 0.768 177.609 176.870 -0.048 0.000 1.006 796 L CA -0.856 53.955 54.840 -0.048 0.000 0.817 796 L CB 2.120 44.121 42.059 -0.097 0.000 1.272 796 L HN 0.334 nan 8.230 nan 0.000 0.421 797 G N 3.984 112.752 108.800 -0.054 0.000 2.417 797 G HA2 0.693 4.654 3.960 0.003 0.000 0.320 797 G HA3 0.693 4.654 3.960 0.003 0.000 0.320 797 G C -0.937 173.920 174.900 -0.072 0.000 1.204 797 G CA -0.388 44.681 45.100 -0.051 0.000 0.923 797 G HN 0.352 nan 8.290 nan 0.000 0.466 798 L N 1.909 123.088 121.223 -0.074 0.000 2.333 798 L HA 0.707 5.048 4.340 0.003 0.000 0.269 798 L C 1.135 177.967 176.870 -0.062 0.000 1.010 798 L CA -1.018 53.772 54.840 -0.083 0.000 0.818 798 L CB 2.124 44.122 42.059 -0.102 0.000 1.306 798 L HN 0.655 nan 8.230 nan 0.000 0.430 799 G N -1.086 107.685 108.800 -0.048 0.000 3.137 799 G HA2 0.059 4.021 3.960 0.003 0.000 0.163 799 G HA3 0.059 4.021 3.960 0.003 0.000 0.163 799 G C -0.246 174.642 174.900 -0.019 0.000 1.602 799 G CA -0.251 44.838 45.100 -0.019 0.000 1.067 799 G HN 0.632 nan 8.290 nan 0.000 0.568 800 H N -0.178 118.863 119.070 -0.048 0.000 2.886 800 H HA 0.296 4.854 4.556 0.003 0.000 0.329 800 H C -0.881 174.418 175.328 -0.049 0.000 1.044 800 H CA 0.276 56.296 56.048 -0.046 0.000 1.456 800 H CB 0.533 30.271 29.762 -0.040 0.000 1.464 800 H HN -0.031 nan 8.280 nan 0.000 0.573 801 V N 5.410 125.034 119.914 -0.482 0.000 2.540 801 V HA 0.205 4.326 4.120 0.003 0.000 0.302 801 V C -0.023 175.926 176.094 -0.242 0.000 1.035 801 V CA -0.696 61.463 62.300 -0.235 0.000 0.873 801 V CB 2.108 33.820 31.823 -0.184 0.000 0.992 801 V HN 0.845 nan 8.190 nan 0.000 0.428 802 T N 5.812 120.339 114.554 -0.045 0.000 2.812 802 T HA 0.623 4.974 4.350 0.003 0.000 0.282 802 T C -0.319 174.372 174.700 -0.014 0.000 0.990 802 T CA -0.184 61.915 62.100 -0.001 0.000 0.960 802 T CB 1.072 69.987 68.868 0.078 0.000 0.948 802 T HN 0.399 nan 8.240 nan 0.000 0.438 803 I N 3.885 124.444 120.570 -0.019 0.000 2.297 803 I HA 0.344 4.516 4.170 0.003 0.000 0.291 803 I C 0.879 176.995 176.117 -0.002 0.000 1.033 803 I CA -0.794 60.498 61.300 -0.013 0.000 1.253 803 I CB 0.686 38.675 38.000 -0.018 0.000 1.396 803 I HN 0.322 nan 8.210 nan 0.000 0.476 804 R N 4.068 124.569 120.500 0.001 0.000 2.637 804 R HA 0.543 4.885 4.340 0.003 0.000 0.269 804 R C 0.112 176.415 176.300 0.004 0.000 1.089 804 R CA -0.675 55.428 56.100 0.005 0.000 1.177 804 R CB 0.835 31.139 30.300 0.006 0.000 1.091 804 R HN 0.690 nan 8.270 nan 0.000 0.540 805 A N 0.894 123.717 122.820 0.005 0.000 2.520 805 A HA 0.093 4.415 4.320 0.003 0.000 0.245 805 A C 0.879 178.465 177.584 0.004 0.000 1.072 805 A CA 0.476 52.515 52.037 0.004 0.000 0.761 805 A CB 0.068 19.070 19.000 0.004 0.000 1.004 805 A HN 0.872 nan 8.150 nan 0.000 0.499 806 S N 0.448 116.150 115.700 0.004 0.000 2.560 806 S HA 0.226 4.698 4.470 0.003 0.000 0.281 806 S C 0.311 174.914 174.600 0.004 0.000 1.075 806 S CA 0.517 58.720 58.200 0.004 0.000 1.295 806 S CB 0.234 63.437 63.200 0.005 0.000 1.156 806 S HN 0.696 nan 8.310 nan 0.000 0.627 807 T N 1.939 116.496 114.554 0.004 0.000 2.893 807 T HA 0.683 5.035 4.350 0.003 0.000 0.293 807 T C -0.661 174.042 174.700 0.004 0.000 1.027 807 T CA 0.169 62.271 62.100 0.005 0.000 0.988 807 T CB 1.535 70.407 68.868 0.006 0.000 1.043 807 T HN 0.595 nan 8.240 nan 0.000 0.461 808 S N 2.564 118.266 115.700 0.004 0.000 3.530 808 S HA -0.200 4.271 4.470 0.003 0.000 0.472 808 S C 0.685 175.286 174.600 0.003 0.000 0.818 808 S CA 0.754 58.956 58.200 0.004 0.000 1.367 808 S CB -1.658 61.544 63.200 0.004 0.000 0.912 808 S HN 1.372 nan 8.310 nan 0.000 0.672 809 S N 1.744 117.445 115.700 0.002 0.000 3.581 809 S HA -0.233 4.239 4.470 0.003 0.000 0.354 809 S C 0.533 175.134 174.600 0.001 0.000 1.059 809 S CA 1.110 59.310 58.200 0.001 0.000 1.060 809 S CB -1.506 61.694 63.200 0.001 0.000 0.908 809 S HN 1.251 nan 8.310 nan 0.000 0.475 810 N N -1.633 117.068 118.700 0.001 0.000 2.741 810 N HA -0.221 4.520 4.740 0.003 0.000 0.251 810 N C 0.511 176.022 175.510 0.002 0.000 1.112 810 N CA 1.100 54.151 53.050 0.002 0.000 0.750 810 N CB -1.603 36.885 38.487 0.001 0.000 1.119 810 N HN 0.760 nan 8.380 nan 0.000 0.561 811 I N -0.248 120.323 120.570 0.002 0.000 2.546 811 I HA -0.138 4.034 4.170 0.003 0.000 0.255 811 I C 1.094 177.212 176.117 0.003 0.000 1.163 811 I CA 0.967 62.268 61.300 0.002 0.000 1.457 811 I CB 0.227 38.228 38.000 0.002 0.000 1.092 811 I HN 0.260 nan 8.210 nan 0.000 0.434 812 R N -0.126 120.376 120.500 0.004 0.000 2.795 812 R HA 0.488 4.829 4.340 0.003 0.000 0.275 812 R C -0.604 175.698 176.300 0.005 0.000 0.981 812 R CA -0.636 55.467 56.100 0.004 0.000 0.917 812 R CB 1.193 31.496 30.300 0.005 0.000 1.202 812 R HN 0.009 nan 8.270 nan 0.000 0.469 813 S N 0.257 115.960 115.700 0.005 0.000 2.610 813 S HA 0.346 4.817 4.470 0.003 0.000 0.273 813 S C -0.350 174.253 174.600 0.006 0.000 1.274 813 S CA -0.694 57.509 58.200 0.005 0.000 1.023 813 S CB 1.327 64.530 63.200 0.004 0.000 0.962 813 S HN 0.763 nan 8.310 nan 0.000 0.523 814 E N 0.843 121.046 120.200 0.006 0.000 2.304 814 E HA 0.539 4.891 4.350 0.003 0.000 0.277 814 E C -2.044 174.561 176.600 0.008 0.000 0.898 814 E CA -0.815 55.589 56.400 0.008 0.000 0.764 814 E CB 1.878 31.583 29.700 0.009 0.000 1.216 814 E HN 0.548 nan 8.360 nan 0.000 0.419 815 V N 5.315 125.235 119.914 0.010 0.000 2.487 815 V HA 0.452 4.574 4.120 0.003 0.000 0.298 815 V C -0.386 175.717 176.094 0.015 0.000 1.028 815 V CA -0.676 61.630 62.300 0.011 0.000 0.860 815 V CB 1.427 33.255 31.823 0.008 0.000 0.991 815 V HN 0.642 nan 8.190 nan 0.000 0.427 816 L N 5.259 126.492 121.223 0.017 0.000 2.329 816 L HA 0.653 4.995 4.340 0.003 0.000 0.279 816 L C -0.368 176.516 176.870 0.023 0.000 1.014 816 L CA -0.482 54.371 54.840 0.021 0.000 0.814 816 L CB 1.955 44.026 42.059 0.020 0.000 1.257 816 L HN 0.483 nan 8.230 nan 0.000 0.424 817 M N 2.554 122.170 119.600 0.027 0.000 2.294 817 M HA 0.409 4.891 4.480 0.003 0.000 0.335 817 M C -0.351 175.966 176.300 0.028 0.000 1.079 817 M CA -0.433 54.884 55.300 0.029 0.000 0.982 817 M CB 2.165 34.788 32.600 0.038 0.000 1.651 817 M HN 0.585 nan 8.290 nan 0.000 0.437 818 E N 0.992 121.204 120.200 0.019 0.000 2.961 818 E HA 0.777 5.129 4.350 0.003 0.000 0.254 818 E C 0.281 176.881 176.600 0.001 0.000 1.192 818 E CA -0.417 55.992 56.400 0.017 0.000 1.069 818 E CB 1.086 30.797 29.700 0.018 0.000 1.338 818 E HN 0.867 nan 8.360 nan 0.000 0.596 819 G N 0.647 109.447 108.800 -0.001 0.000 0.000 819 G HA2 -0.307 3.654 3.960 0.003 0.000 0.000 819 G HA3 -0.307 3.654 3.960 0.003 0.000 0.000 819 G C 0.493 175.403 174.900 0.016 0.000 0.000 819 G CA 0.209 45.296 45.100 -0.021 0.000 0.000 819 G HN 0.678 nan 8.290 nan 0.000 0.000 820 E N -0.993 119.225 120.200 0.029 0.000 2.085 820 E HA -0.047 4.305 4.350 0.003 0.000 0.194 820 E C 0.940 177.668 176.600 0.213 0.000 0.994 820 E CA 1.964 58.440 56.400 0.126 0.000 0.801 820 E CB -0.068 29.749 29.700 0.195 0.000 0.743 820 E HN 0.905 nan 8.360 nan 0.000 0.453 821 Y N -2.734 117.597 120.300 0.052 0.000 2.588 821 Y HA 0.683 5.235 4.550 0.003 0.000 0.343 821 Y C -0.214 175.736 175.900 0.084 0.000 1.065 821 Y CA -1.018 57.121 58.100 0.065 0.000 1.038 821 Y CB 0.959 39.460 38.460 0.069 0.000 1.297 821 Y HN -0.125 nan 8.280 nan 0.000 0.467 822 G N 1.057 109.980 108.800 0.205 0.000 2.410 822 G HA2 0.557 4.519 3.960 0.003 0.000 0.330 822 G HA3 0.557 4.519 3.960 0.003 0.000 0.330 822 G C -2.329 172.771 174.900 0.333 0.000 1.142 822 G CA -0.799 44.388 45.100 0.145 0.000 0.902 822 G HN 0.788 nan 8.290 nan 0.000 0.491 823 F N 1.470 121.477 119.950 0.094 0.000 2.539 823 F HA 0.672 5.201 4.527 0.003 0.000 0.318 823 F C -0.854 175.000 175.800 0.090 0.000 1.135 823 F CA -1.111 56.971 58.000 0.137 0.000 0.915 823 F CB 1.652 40.745 39.000 0.155 0.000 1.176 823 F HN 0.252 nan 8.300 nan 0.000 0.440 824 I N 6.101 126.354 120.570 -0.528 0.000 2.410 824 I HA 0.618 4.789 4.170 0.003 0.000 0.286 824 I C 0.057 175.714 176.117 -0.767 0.000 1.009 824 I CA -0.485 60.547 61.300 -0.447 0.000 1.111 824 I CB 1.420 39.355 38.000 -0.109 0.000 1.262 824 I HN 0.749 nan 8.210 nan 0.000 0.443 825 G N 4.336 112.693 108.800 -0.739 0.000 2.949 825 G HA2 0.681 4.642 3.960 0.003 0.000 0.285 825 G HA3 0.681 4.642 3.960 0.003 0.000 0.285 825 G C -1.663 173.144 174.900 -0.156 0.000 1.395 825 G CA -0.540 44.260 45.100 -0.500 0.000 0.901 825 G HN 0.357 nan 8.290 nan 0.000 0.519 826 K N 0.448 120.824 120.400 -0.039 0.000 2.545 826 K HA 0.536 4.858 4.320 0.003 0.000 0.252 826 K C 0.421 177.032 176.600 0.020 0.000 0.948 826 K CA -0.422 55.848 56.287 -0.030 0.000 0.827 826 K CB 1.253 33.723 32.500 -0.049 0.000 1.128 826 K HN 0.773 nan 8.250 nan 0.000 0.429 827 S N 3.892 119.599 115.700 0.012 0.000 2.569 827 S HA 0.204 4.675 4.470 0.003 0.000 0.274 827 S C 0.589 175.198 174.600 0.016 0.000 1.353 827 S CA -0.526 57.688 58.200 0.025 0.000 1.023 827 S CB 0.035 63.243 63.200 0.013 0.000 0.876 827 S HN 0.558 nan 8.310 nan 0.000 0.540 828 I N 2.795 123.378 120.570 0.023 0.000 2.581 828 I HA 0.176 4.348 4.170 0.003 0.000 0.285 828 I C -1.978 174.142 176.117 0.005 0.000 1.129 828 I CA -1.727 59.582 61.300 0.016 0.000 1.397 828 I CB -0.179 37.833 38.000 0.021 0.000 1.399 828 I HN 0.483 nan 8.210 nan 0.000 0.537 829 P HA 0.009 nan 4.420 nan 0.000 0.266 829 P C 0.893 178.191 177.300 -0.003 0.000 1.195 829 P CA -0.079 63.016 63.100 -0.008 0.000 0.768 829 P CB 0.565 32.256 31.700 -0.014 0.000 0.838 830 T N -2.204 112.347 114.554 -0.004 0.000 2.851 830 T HA -0.084 4.267 4.350 0.003 0.000 0.262 830 T C 0.933 175.631 174.700 -0.002 0.000 1.043 830 T CA 1.202 63.301 62.100 -0.002 0.000 1.140 830 T CB -0.349 68.517 68.868 -0.003 0.000 0.872 830 T HN 0.232 nan 8.240 nan 0.000 0.446 831 D N 1.080 121.477 120.400 -0.005 0.000 2.323 831 D HA 0.126 4.767 4.640 0.003 0.000 0.218 831 D C 0.567 176.865 176.300 -0.003 0.000 0.973 831 D CA 0.590 54.587 54.000 -0.004 0.000 0.890 831 D CB -0.039 40.757 40.800 -0.006 0.000 1.011 831 D HN 0.355 nan 8.370 nan 0.000 0.499 832 N N 0.776 119.472 118.700 -0.006 0.000 2.791 832 N HA 0.135 4.877 4.740 0.003 0.000 0.265 832 N C -2.077 173.431 175.510 -0.003 0.000 1.580 832 N CA -1.565 51.483 53.050 -0.004 0.000 0.809 832 N CB 1.332 39.814 38.487 -0.007 0.000 1.178 832 N HN -0.217 nan 8.380 nan 0.000 0.499 833 P HA -0.143 nan 4.420 nan 0.000 0.218 833 P C 1.002 178.308 177.300 0.011 0.000 1.148 833 P CA 0.822 63.925 63.100 0.005 0.000 0.822 833 P CB 0.229 31.935 31.700 0.010 0.000 0.784 834 A N 0.189 123.017 122.820 0.014 0.000 2.131 834 A HA -0.026 4.295 4.320 0.003 0.000 0.220 834 A C 2.351 179.952 177.584 0.027 0.000 1.158 834 A CA 1.704 53.756 52.037 0.024 0.000 0.665 834 A CB -1.584 17.430 19.000 0.022 0.000 0.795 834 A HN 0.350 nan 8.150 nan 0.000 0.460 835 G N -1.449 107.353 108.800 0.004 0.000 3.042 835 G HA2 0.147 4.109 3.960 0.003 0.000 0.212 835 G HA3 0.147 4.109 3.960 0.003 0.000 0.212 835 G C 0.603 175.470 174.900 -0.054 0.000 1.166 835 G CA 0.125 45.212 45.100 -0.020 0.000 0.767 835 G HN 0.599 nan 8.290 nan 0.000 0.546 836 Q N 1.337 121.119 119.800 -0.030 0.000 2.262 836 Q HA 0.173 4.515 4.340 0.003 0.000 0.298 836 Q C 0.337 176.281 176.000 -0.093 0.000 1.083 836 Q CA 0.381 56.157 55.803 -0.046 0.000 0.962 836 Q CB 0.151 28.887 28.738 -0.005 0.000 1.104 836 Q HN 0.614 nan 8.270 nan 0.000 0.376 837 R N 2.791 123.202 120.500 -0.150 0.000 2.774 837 R HA 0.469 4.810 4.340 0.003 0.000 0.279 837 R C -1.658 174.508 176.300 -0.224 0.000 1.022 837 R CA -0.880 55.081 56.100 -0.232 0.000 0.855 837 R CB 0.662 30.667 30.300 -0.493 0.000 1.279 837 R HN 0.473 nan 8.270 nan 0.000 0.485 838 I N 1.852 122.278 120.570 -0.241 0.000 2.465 838 I HA 0.418 4.590 4.170 0.003 0.000 0.291 838 I C -0.254 175.627 176.117 -0.392 0.000 1.014 838 I CA -1.104 59.970 61.300 -0.376 0.000 1.093 838 I CB 2.148 39.828 38.000 -0.532 0.000 1.267 838 I HN 0.407 nan 8.210 nan 0.000 0.431 839 I N 6.027 126.356 120.570 -0.402 0.000 2.304 839 I HA 0.292 4.464 4.170 0.003 0.000 0.291 839 I C -0.808 175.091 176.117 -0.364 0.000 1.018 839 I CA -0.268 60.877 61.300 -0.258 0.000 1.260 839 I CB 0.509 38.408 38.000 -0.168 0.000 1.390 839 I HN 0.310 nan 8.210 nan 0.000 0.475 840 F N 5.615 125.534 119.950 -0.051 0.000 2.420 840 F HA 0.488 5.017 4.527 0.003 0.000 0.342 840 F C 0.259 176.048 175.800 -0.018 0.000 1.113 840 F CA -0.511 57.468 58.000 -0.035 0.000 1.059 840 F CB 1.433 40.417 39.000 -0.027 0.000 1.128 840 F HN 0.385 nan 8.300 nan 0.000 0.475 841 C N 2.013 121.391 119.300 0.130 0.000 2.686 841 C HA 0.644 5.105 4.460 0.003 0.000 0.318 841 C C 1.186 176.214 174.990 0.063 0.000 1.160 841 C CA -0.404 58.659 59.018 0.076 0.000 1.396 841 C CB 0.894 28.652 27.740 0.030 0.000 1.924 841 C HN 1.025 nan 8.230 nan 0.000 0.471 842 G N 2.543 111.373 108.800 0.050 0.000 2.920 842 G HA2 0.445 4.406 3.960 0.003 0.000 0.208 842 G HA3 0.445 4.406 3.960 0.003 0.000 0.208 842 G C 0.595 175.508 174.900 0.021 0.000 1.159 842 G CA 0.813 45.933 45.100 0.033 0.000 0.784 842 G HN 1.188 nan 8.290 nan 0.000 0.535 843 G N -0.335 108.477 108.800 0.020 0.000 3.211 843 G HA2 0.473 4.435 3.960 0.003 0.000 0.262 843 G HA3 0.473 4.435 3.960 0.003 0.000 0.262 843 G C 0.486 175.393 174.900 0.012 0.000 1.352 843 G CA 0.117 45.225 45.100 0.014 0.000 1.004 843 G HN 0.192 nan 8.290 nan 0.000 0.559 844 E N -1.519 118.687 120.200 0.010 0.000 2.442 844 E HA 0.321 4.672 4.350 0.003 0.000 0.195 844 E C 0.946 177.551 176.600 0.009 0.000 1.030 844 E CA 0.323 56.730 56.400 0.011 0.000 0.869 844 E CB 0.394 30.101 29.700 0.010 0.000 0.857 844 E HN 0.542 nan 8.360 nan 0.000 0.505 845 G N 0.190 108.993 108.800 0.005 0.000 2.658 845 G HA2 0.286 4.247 3.960 0.003 0.000 0.292 845 G HA3 0.286 4.247 3.960 0.003 0.000 0.292 845 G C 0.513 175.410 174.900 -0.005 0.000 1.320 845 G CA -0.067 45.033 45.100 0.001 0.000 0.933 845 G HN 0.037 nan 8.290 nan 0.000 0.476 846 T N -2.364 112.183 114.554 -0.012 0.000 2.995 846 T HA 0.033 4.384 4.350 0.003 0.000 0.269 846 T C 1.524 176.218 174.700 -0.009 0.000 1.091 846 T CA 1.140 63.228 62.100 -0.020 0.000 1.128 846 T CB -0.117 68.733 68.868 -0.030 0.000 0.891 846 T HN 0.595 nan 8.240 nan 0.000 0.492 847 S N 1.733 117.431 115.700 -0.002 0.000 2.549 847 S HA 0.232 4.704 4.470 0.003 0.000 0.283 847 S C 1.612 176.219 174.600 0.011 0.000 1.320 847 S CA -0.045 58.158 58.200 0.005 0.000 1.058 847 S CB 0.661 63.865 63.200 0.006 0.000 0.882 847 S HN 0.598 nan 8.310 nan 0.000 0.498 848 S N 3.057 118.769 115.700 0.019 0.000 2.507 848 S HA -0.125 4.347 4.470 0.003 0.000 0.235 848 S C 1.869 176.482 174.600 0.021 0.000 0.988 848 S CA 1.287 59.503 58.200 0.027 0.000 0.944 848 S CB -1.192 62.032 63.200 0.040 0.000 0.762 848 S HN 0.972 nan 8.310 nan 0.000 0.526 849 T N 0.214 114.778 114.554 0.016 0.000 2.929 849 T HA -0.139 4.213 4.350 0.003 0.000 0.271 849 T C 1.889 176.595 174.700 0.009 0.000 1.085 849 T CA 1.720 63.827 62.100 0.012 0.000 1.125 849 T CB -1.349 67.525 68.868 0.010 0.000 0.874 849 T HN 0.694 nan 8.240 nan 0.000 0.494 850 T N -1.893 112.667 114.554 0.010 0.000 3.067 850 T HA 0.497 4.848 4.350 0.003 0.000 0.261 850 T C 0.947 175.652 174.700 0.009 0.000 1.110 850 T CA 0.302 62.407 62.100 0.008 0.000 1.113 850 T CB -0.152 68.720 68.868 0.007 0.000 0.917 850 T HN 0.845 nan 8.240 nan 0.000 0.499 851 G N -0.042 108.766 108.800 0.013 0.000 2.355 851 G HA2 0.538 4.500 3.960 0.003 0.000 0.296 851 G HA3 0.538 4.500 3.960 0.003 0.000 0.296 851 G C -0.947 173.966 174.900 0.021 0.000 1.507 851 G CA -0.580 44.529 45.100 0.014 0.000 0.823 851 G HN 0.485 nan 8.290 nan 0.000 0.569 852 A N -0.126 122.705 122.820 0.018 0.000 2.520 852 A HA 0.600 4.922 4.320 0.003 0.000 0.235 852 A C 0.379 178.001 177.584 0.063 0.000 1.065 852 A CA 0.536 52.592 52.037 0.031 0.000 0.764 852 A CB 0.246 19.254 19.000 0.013 0.000 1.002 852 A HN 0.693 nan 8.150 nan 0.000 0.502 853 Q N 0.114 119.969 119.800 0.092 0.000 2.389 853 Q HA 0.667 5.008 4.340 0.003 0.000 0.277 853 Q C -1.467 174.622 176.000 0.147 0.000 1.082 853 Q CA -0.464 55.406 55.803 0.112 0.000 0.810 853 Q CB 2.536 31.326 28.738 0.087 0.000 1.374 853 Q HN 0.706 nan 8.270 nan 0.000 0.422 854 I N 1.088 121.753 120.570 0.159 0.000 2.498 854 I HA 0.390 4.562 4.170 0.003 0.000 0.290 854 I C -0.754 175.463 176.117 0.167 0.000 1.032 854 I CA -0.531 60.835 61.300 0.110 0.000 1.073 854 I CB 2.375 40.410 38.000 0.059 0.000 1.251 854 I HN 0.463 nan 8.210 nan 0.000 0.426 855 T N 6.973 121.578 114.554 0.085 0.000 2.786 855 T HA 0.524 4.875 4.350 0.003 0.000 0.283 855 T C -0.287 174.485 174.700 0.121 0.000 0.992 855 T CA -0.469 61.677 62.100 0.076 0.000 0.954 855 T CB 0.960 69.834 68.868 0.009 0.000 0.934 855 T HN 0.265 nan 8.240 nan 0.000 0.440 856 L N 4.130 125.426 121.223 0.121 0.000 2.257 856 L HA 0.462 4.803 4.340 0.003 0.000 0.290 856 L C -0.638 176.292 176.870 0.100 0.000 1.044 856 L CA -0.913 54.018 54.840 0.151 0.000 0.810 856 L CB 0.422 42.591 42.059 0.182 0.000 1.193 856 L HN 0.645 nan 8.230 nan 0.000 0.425 857 Y N 1.323 121.622 120.300 -0.002 0.000 2.308 857 Y HA 0.400 4.952 4.550 0.003 0.000 0.329 857 Y C 1.219 177.125 175.900 0.010 0.000 1.111 857 Y CA -0.540 57.559 58.100 -0.002 0.000 1.179 857 Y CB 1.591 40.046 38.460 -0.008 0.000 1.201 857 Y HN 0.640 nan 8.280 nan 0.000 0.483 858 G N 0.644 109.514 108.800 0.115 0.000 2.634 858 G HA2 0.305 4.267 3.960 0.003 0.000 0.255 858 G HA3 0.305 4.267 3.960 0.003 0.000 0.255 858 G C 0.786 175.742 174.900 0.093 0.000 1.205 858 G CA -0.071 45.081 45.100 0.085 0.000 0.884 858 G HN 0.870 nan 8.290 nan 0.000 0.549 859 A N 0.235 123.098 122.820 0.071 0.000 2.019 859 A HA -0.076 4.246 4.320 0.003 0.000 0.219 859 A C 2.067 179.681 177.584 0.050 0.000 1.164 859 A CA 1.298 53.369 52.037 0.056 0.000 0.644 859 A CB -0.252 18.775 19.000 0.045 0.000 0.805 859 A HN 0.634 nan 8.150 nan 0.000 0.449 860 N N 0.379 119.107 118.700 0.048 0.000 2.494 860 N HA -0.061 4.681 4.740 0.003 0.000 0.182 860 N C 0.333 175.871 175.510 0.046 0.000 1.076 860 N CA -0.001 53.072 53.050 0.039 0.000 0.908 860 N CB -0.185 38.320 38.487 0.030 0.000 0.967 860 N HN 0.462 nan 8.380 nan 0.000 0.449 861 N N 1.389 120.130 118.700 0.070 0.000 2.441 861 N HA -0.026 4.716 4.740 0.003 0.000 0.251 861 N C 0.846 176.405 175.510 0.082 0.000 1.242 861 N CA 0.453 53.561 53.050 0.097 0.000 0.898 861 N CB 1.056 39.660 38.487 0.195 0.000 1.100 861 N HN -0.043 nan 8.380 nan 0.000 0.443 862 T N 0.925 115.524 114.554 0.075 0.000 2.737 862 T HA -0.147 4.204 4.350 0.003 0.000 0.269 862 T C -0.056 174.667 174.700 0.037 0.000 1.040 862 T CA 1.214 63.343 62.100 0.049 0.000 1.142 862 T CB -0.103 68.792 68.868 0.045 0.000 0.861 862 T HN 0.516 nan 8.240 nan 0.000 0.456 863 D N 2.759 123.191 120.400 0.054 0.000 2.564 863 D HA 0.206 4.847 4.640 0.003 0.000 0.226 863 D C -0.116 176.175 176.300 -0.016 0.000 1.149 863 D CA -0.037 53.941 54.000 -0.037 0.000 0.994 863 D CB 0.357 41.051 40.800 -0.177 0.000 1.029 863 D HN 0.365 nan 8.370 nan 0.000 0.517 864 S N 1.204 116.908 115.700 0.007 0.000 2.516 864 S HA 0.142 4.614 4.470 0.003 0.000 0.282 864 S C 0.965 175.578 174.600 0.021 0.000 1.286 864 S CA -0.671 57.551 58.200 0.036 0.000 1.066 864 S CB 1.100 64.316 63.200 0.026 0.000 0.884 864 S HN 0.482 nan 8.310 nan 0.000 0.491 865 R N -0.807 119.731 120.500 0.064 0.000 3.875 865 R HA -0.188 4.154 4.340 0.003 0.000 0.321 865 R C 0.365 176.672 176.300 0.013 0.000 1.196 865 R CA 0.955 57.089 56.100 0.056 0.000 0.868 865 R CB -1.549 28.772 30.300 0.035 0.000 1.333 865 R HN 0.851 nan 8.270 nan 0.000 0.522 866 R N 1.464 121.922 120.500 -0.069 0.000 2.734 866 R HA 0.280 4.621 4.340 0.003 0.000 0.266 866 R C -0.132 176.116 176.300 -0.087 0.000 1.044 866 R CA 0.310 56.272 56.100 -0.231 0.000 1.128 866 R CB 0.477 30.371 30.300 -0.677 0.000 1.010 866 R HN 0.187 nan 8.270 nan 0.000 0.461 867 I N 3.857 124.368 120.570 -0.099 0.000 2.498 867 I HA 0.262 4.434 4.170 0.003 0.000 0.290 867 I C -0.852 175.150 176.117 -0.193 0.000 1.032 867 I CA -1.121 60.099 61.300 -0.133 0.000 1.073 867 I CB 2.224 40.060 38.000 -0.274 0.000 1.251 867 I HN 0.308 nan 8.210 nan 0.000 0.426 868 V N 6.597 126.438 119.914 -0.122 0.000 2.384 868 V HA 0.353 4.475 4.120 0.003 0.000 0.287 868 V C -0.999 175.035 176.094 -0.099 0.000 1.020 868 V CA -0.625 61.657 62.300 -0.029 0.000 0.850 868 V CB 1.201 33.092 31.823 0.114 0.000 0.987 868 V HN 0.425 nan 8.190 nan 0.000 0.436 869 Y N 3.449 123.821 120.300 0.121 0.000 2.342 869 Y HA 0.522 5.073 4.550 0.003 0.000 0.338 869 Y C 0.450 176.522 175.900 0.287 0.000 0.965 869 Y CA -0.541 57.659 58.100 0.166 0.000 1.159 869 Y CB 1.150 39.640 38.460 0.050 0.000 1.157 869 Y HN 0.591 nan 8.280 nan 0.000 0.486 870 N N 2.595 121.533 118.700 0.396 0.000 2.623 870 N HA 0.515 5.256 4.740 0.003 0.000 0.256 870 N C -0.809 174.795 175.510 0.157 0.000 1.045 870 N CA -0.223 52.998 53.050 0.283 0.000 0.863 870 N CB 1.121 39.713 38.487 0.174 0.000 1.182 870 N HN 0.874 nan 8.380 nan 0.000 0.523 871 G N 0.670 109.467 108.800 -0.006 0.000 2.694 871 G HA2 0.260 4.222 3.960 0.003 0.000 0.290 871 G HA3 0.260 4.222 3.960 0.003 0.000 0.290 871 G C -0.316 174.447 174.900 -0.228 0.000 1.386 871 G CA -0.508 44.480 45.100 -0.188 0.000 0.872 871 G HN 0.329 nan 8.290 nan 0.000 0.475 872 D N -0.287 120.020 120.400 -0.154 0.000 2.349 872 D HA 0.137 4.779 4.640 0.003 0.000 0.215 872 D C 0.343 176.565 176.300 -0.131 0.000 1.016 872 D CA 0.880 54.817 54.000 -0.105 0.000 0.870 872 D CB 0.728 41.496 40.800 -0.053 0.000 0.917 872 D HN 0.506 nan 8.370 nan 0.000 0.524 873 E N -0.381 119.686 120.200 -0.221 0.000 2.343 873 E HA 0.260 4.612 4.350 0.003 0.000 0.278 873 E C -0.851 175.546 176.600 -0.339 0.000 0.910 873 E CA -0.647 55.642 56.400 -0.185 0.000 0.757 873 E CB 2.102 31.742 29.700 -0.101 0.000 1.218 873 E HN 0.035 nan 8.360 nan 0.000 0.435 874 H N 2.592 121.663 119.070 0.001 0.000 2.792 874 H HA 0.352 4.909 4.556 0.003 0.000 0.298 874 H C -0.894 174.387 175.328 -0.078 0.000 1.042 874 H CA -0.389 55.629 56.048 -0.049 0.000 1.300 874 H CB 0.632 30.436 29.762 0.070 0.000 1.431 874 H HN 0.285 nan 8.280 nan 0.000 0.496 875 L N 4.190 125.334 121.223 -0.132 0.000 2.316 875 L HA 0.335 4.677 4.340 0.003 0.000 0.280 875 L C -0.545 176.168 176.870 -0.261 0.000 1.006 875 L CA -0.655 54.129 54.840 -0.094 0.000 0.836 875 L CB 1.033 43.051 42.059 -0.068 0.000 1.221 875 L HN 0.344 nan 8.230 nan 0.000 0.418 876 F N 2.392 122.343 119.950 0.003 0.000 2.350 876 F HA 0.335 4.864 4.527 0.003 0.000 0.365 876 F C 0.600 176.394 175.800 -0.010 0.000 1.122 876 F CA -0.155 57.840 58.000 -0.009 0.000 1.139 876 F CB 1.136 40.119 39.000 -0.028 0.000 1.220 876 F HN 0.481 nan 8.300 nan 0.000 0.499 877 Q N 1.577 121.423 119.800 0.076 0.000 2.222 877 Q HA 0.388 4.729 4.340 0.003 0.000 0.252 877 Q C 0.606 176.642 176.000 0.060 0.000 0.926 877 Q CA -0.060 55.772 55.803 0.048 0.000 0.899 877 Q CB 1.354 30.095 28.738 0.004 0.000 1.250 877 Q HN 0.823 nan 8.270 nan 0.000 0.441 878 S N -0.531 115.195 115.700 0.044 0.000 2.691 878 S HA -0.229 4.243 4.470 0.003 0.000 0.262 878 S C -0.536 174.086 174.600 0.037 0.000 1.284 878 S CA 0.957 59.177 58.200 0.034 0.000 1.372 878 S CB -1.431 61.786 63.200 0.028 0.000 1.693 878 S HN 0.995 nan 8.310 nan 0.000 0.647 879 A N 0.354 123.205 122.820 0.051 0.000 2.608 879 A HA 0.591 4.913 4.320 0.003 0.000 0.292 879 A C -1.391 176.212 177.584 0.031 0.000 1.066 879 A CA -0.712 51.347 52.037 0.036 0.000 0.676 879 A CB 0.785 19.808 19.000 0.038 0.000 1.277 879 A HN 0.076 nan 8.150 nan 0.000 0.413 880 D N 0.459 120.859 120.400 -0.000 0.000 2.443 880 D HA 0.246 4.888 4.640 0.003 0.000 0.234 880 D C 0.078 176.338 176.300 -0.066 0.000 1.172 880 D CA 0.460 54.441 54.000 -0.032 0.000 0.878 880 D CB 0.683 41.460 40.800 -0.038 0.000 1.204 880 D HN 0.205 nan 8.370 nan 0.000 0.453 881 V N 3.032 122.863 119.914 -0.139 0.000 2.353 881 V HA 0.149 4.270 4.120 0.003 0.000 0.264 881 V C 0.591 176.577 176.094 -0.180 0.000 1.049 881 V CA -0.023 62.120 62.300 -0.263 0.000 0.896 881 V CB 0.120 31.666 31.823 -0.462 0.000 1.025 881 V HN 0.293 nan 8.190 nan 0.000 0.475 882 K N 5.343 125.665 120.400 -0.130 0.000 2.385 882 K HA 0.646 4.968 4.320 0.003 0.000 0.248 882 K C -2.408 174.163 176.600 -0.048 0.000 0.955 882 K CA -1.628 54.611 56.287 -0.079 0.000 0.816 882 K CB 2.111 34.576 32.500 -0.059 0.000 1.250 882 K HN 0.471 nan 8.250 nan 0.000 0.434 883 P HA 0.033 nan 4.420 nan 0.000 0.274 883 P C -0.062 177.274 177.300 0.061 0.000 1.231 883 P CA -0.243 62.873 63.100 0.027 0.000 0.790 883 P CB 0.558 32.270 31.700 0.021 0.000 0.951 884 Y N 1.450 121.742 120.300 -0.014 0.000 2.200 884 Y HA -0.090 4.462 4.550 0.003 0.000 0.290 884 Y C 0.917 176.813 175.900 -0.007 0.000 1.137 884 Y CA 1.309 59.404 58.100 -0.007 0.000 1.163 884 Y CB 0.298 38.759 38.460 0.001 0.000 0.988 884 Y HN 0.311 nan 8.280 nan 0.000 0.518 885 N N 0.530 119.332 118.700 0.169 0.000 2.485 885 N HA 0.081 4.822 4.740 0.003 0.000 0.280 885 N C -1.536 173.990 175.510 0.027 0.000 1.205 885 N CA -0.440 52.663 53.050 0.088 0.000 0.959 885 N CB 1.147 39.716 38.487 0.137 0.000 1.206 885 N HN 0.071 nan 8.380 nan 0.000 0.545 886 D N 0.200 120.605 120.400 0.008 0.000 2.274 886 D HA 0.155 4.797 4.640 0.003 0.000 0.239 886 D C -0.102 176.202 176.300 0.006 0.000 1.104 886 D CA 0.046 54.045 54.000 -0.002 0.000 0.840 886 D CB 0.093 40.886 40.800 -0.013 0.000 1.100 886 D HN 0.461 nan 8.370 nan 0.000 0.477 887 N N 2.921 121.623 118.700 0.004 0.000 2.740 887 N HA -0.175 4.566 4.740 0.003 0.000 0.248 887 N C -0.360 175.157 175.510 0.012 0.000 1.062 887 N CA 0.996 54.049 53.050 0.005 0.000 0.704 887 N CB -0.984 37.504 38.487 0.002 0.000 0.968 887 N HN 0.231 nan 8.380 nan 0.000 0.547 888 V N -2.098 117.827 119.914 0.018 0.000 3.250 888 V HA 0.224 4.346 4.120 0.003 0.000 0.240 888 V C 1.065 177.172 176.094 0.022 0.000 1.275 888 V CA 1.308 63.621 62.300 0.022 0.000 1.206 888 V CB 0.734 32.578 31.823 0.034 0.000 0.976 888 V HN 0.606 nan 8.190 nan 0.000 0.467 889 T N -0.857 113.712 114.554 0.025 0.000 2.932 889 T HA 0.862 5.214 4.350 0.003 0.000 0.289 889 T C -0.411 174.302 174.700 0.021 0.000 1.039 889 T CA -0.131 61.983 62.100 0.023 0.000 1.024 889 T CB 2.453 71.339 68.868 0.030 0.000 1.090 889 T HN 0.369 nan 8.240 nan 0.000 0.496 890 A N 1.367 124.202 122.820 0.024 0.000 2.322 890 A HA 0.785 5.107 4.320 0.003 0.000 0.327 890 A C -0.432 177.184 177.584 0.054 0.000 1.134 890 A CA -1.116 50.940 52.037 0.031 0.000 0.831 890 A CB 0.741 19.758 19.000 0.030 0.000 1.288 890 A HN 0.896 nan 8.150 nan 0.000 0.472 891 L N 2.000 123.270 121.223 0.079 0.000 2.278 891 L HA 0.540 4.881 4.340 0.003 0.000 0.287 891 L C 1.023 178.025 176.870 0.220 0.000 1.072 891 L CA 0.832 55.781 54.840 0.182 0.000 0.819 891 L CB 0.250 42.391 42.059 0.137 0.000 1.176 891 L HN 1.313 nan 8.230 nan 0.000 0.435 892 G N 2.615 111.519 108.800 0.172 0.000 2.782 892 G HA2 0.163 4.125 3.960 0.003 0.000 0.228 892 G HA3 0.163 4.125 3.960 0.003 0.000 0.228 892 G C -0.300 174.581 174.900 -0.032 0.000 1.372 892 G CA -0.495 44.579 45.100 -0.043 0.000 0.862 892 G HN 1.059 nan 8.290 nan 0.000 0.547 893 G N -2.324 106.437 108.800 -0.065 0.000 2.600 893 G HA2 0.809 4.771 3.960 0.003 0.000 0.293 893 G HA3 0.809 4.771 3.960 0.003 0.000 0.293 893 G C -1.893 172.982 174.900 -0.041 0.000 1.408 893 G CA 0.429 45.506 45.100 -0.038 0.000 0.782 893 G HN 0.706 nan 8.290 nan 0.000 0.482 894 P HA 0.055 nan 4.420 nan 0.000 0.222 894 P C 1.176 178.457 177.300 -0.031 0.000 1.147 894 P CA 1.034 64.120 63.100 -0.023 0.000 0.790 894 P CB 0.396 32.086 31.700 -0.016 0.000 0.780 895 S N -1.127 114.549 115.700 -0.040 0.000 2.554 895 S HA 0.170 4.642 4.470 0.003 0.000 0.226 895 S C 0.262 174.823 174.600 -0.065 0.000 0.980 895 S CA -0.202 57.972 58.200 -0.043 0.000 0.939 895 S CB -0.396 62.783 63.200 -0.035 0.000 0.832 895 S HN 0.178 nan 8.310 nan 0.000 0.486 896 N N 1.572 120.216 118.700 -0.094 0.000 2.673 896 N HA 0.221 4.963 4.740 0.003 0.000 0.265 896 N C -0.959 174.414 175.510 -0.228 0.000 1.709 896 N CA -0.340 52.614 53.050 -0.160 0.000 0.792 896 N CB 0.798 39.181 38.487 -0.174 0.000 1.286 896 N HN 0.047 nan 8.380 nan 0.000 0.506 897 R N 0.330 120.738 120.500 -0.153 0.000 2.390 897 R HA 0.354 4.696 4.340 0.003 0.000 0.291 897 R C -0.388 175.827 176.300 -0.142 0.000 1.070 897 R CA -0.352 55.682 56.100 -0.109 0.000 1.014 897 R CB 0.829 31.115 30.300 -0.024 0.000 1.007 897 R HN 0.184 nan 8.270 nan 0.000 0.466 898 F N 0.515 120.470 119.950 0.009 0.000 2.459 898 F HA -0.027 4.502 4.527 0.003 0.000 0.346 898 F C 2.167 177.977 175.800 0.015 0.000 1.128 898 F CA 0.124 58.135 58.000 0.019 0.000 1.268 898 F CB 1.022 40.032 39.000 0.017 0.000 1.161 898 F HN 0.652 nan 8.300 nan 0.000 0.583 899 T N -2.098 112.593 114.554 0.229 0.000 2.788 899 T HA -0.059 4.293 4.350 0.003 0.000 0.268 899 T C 0.726 175.474 174.700 0.079 0.000 1.044 899 T CA 1.517 63.693 62.100 0.126 0.000 1.139 899 T CB -0.142 68.800 68.868 0.124 0.000 0.867 899 T HN 0.673 nan 8.240 nan 0.000 0.454 900 T N -0.633 113.966 114.554 0.075 0.000 2.677 900 T HA 0.562 4.913 4.350 0.003 0.000 0.305 900 T C -2.338 172.326 174.700 -0.061 0.000 1.569 900 T CA -0.288 61.783 62.100 -0.048 0.000 0.984 900 T CB 1.078 69.825 68.868 -0.202 0.000 1.629 900 T HN 0.658 nan 8.240 nan 0.000 0.494 901 A N 1.498 124.229 122.820 -0.147 0.000 2.343 901 A HA 0.735 5.056 4.320 0.003 0.000 0.308 901 A C -1.776 175.706 177.584 -0.171 0.000 1.092 901 A CA -0.458 51.509 52.037 -0.117 0.000 0.751 901 A CB 0.647 19.584 19.000 -0.105 0.000 1.203 901 A HN 0.693 nan 8.150 nan 0.000 0.452 902 Y N 2.580 122.849 120.300 -0.051 0.000 2.452 902 Y HA 0.516 5.068 4.550 0.003 0.000 0.348 902 Y C 0.123 176.000 175.900 -0.038 0.000 0.985 902 Y CA 0.200 58.281 58.100 -0.033 0.000 1.214 902 Y CB 0.676 39.121 38.460 -0.024 0.000 1.136 902 Y HN 0.496 nan 8.280 nan 0.000 0.523 903 L N 1.294 122.556 121.223 0.066 0.000 2.354 903 L HA 0.568 4.909 4.340 0.003 0.000 0.264 903 L C 1.086 177.974 176.870 0.030 0.000 1.008 903 L CA -0.845 54.013 54.840 0.028 0.000 0.819 903 L CB 2.233 44.286 42.059 -0.010 0.000 1.339 903 L HN 0.717 nan 8.230 nan 0.000 0.420 904 G N -0.050 108.761 108.800 0.019 0.000 3.042 904 G HA2 0.273 4.235 3.960 0.003 0.000 0.212 904 G HA3 0.273 4.235 3.960 0.003 0.000 0.212 904 G C 0.222 175.125 174.900 0.005 0.000 1.166 904 G CA 0.201 45.311 45.100 0.016 0.000 0.767 904 G HN 0.458 nan 8.290 nan 0.000 0.546 905 S N -0.905 114.794 115.700 -0.002 0.000 2.587 905 S HA 0.307 4.779 4.470 0.003 0.000 0.269 905 S C -1.058 173.534 174.600 -0.013 0.000 1.154 905 S CA -0.904 57.292 58.200 -0.007 0.000 0.824 905 S CB 1.322 64.517 63.200 -0.007 0.000 1.118 905 S HN 0.125 nan 8.310 nan 0.000 0.462 906 N N 1.963 120.655 118.700 -0.014 0.000 2.381 906 N HA 0.261 5.003 4.740 0.003 0.000 0.241 906 N C -2.540 172.959 175.510 -0.019 0.000 1.279 906 N CA -0.777 52.262 53.050 -0.018 0.000 0.896 906 N CB -0.341 38.136 38.487 -0.016 0.000 1.118 906 N HN 0.293 nan 8.380 nan 0.000 0.438 907 P HA 0.088 nan 4.420 nan 0.000 0.266 907 P C -0.267 177.022 177.300 -0.018 0.000 1.193 907 P CA 0.325 63.411 63.100 -0.022 0.000 0.770 907 P CB 0.464 32.150 31.700 -0.023 0.000 0.836 908 I N 2.529 123.088 120.570 -0.018 0.000 2.291 908 I HA 0.145 4.317 4.170 0.003 0.000 0.290 908 I C -0.286 175.822 176.117 -0.015 0.000 1.050 908 I CA -0.538 60.752 61.300 -0.016 0.000 1.245 908 I CB 0.637 38.628 38.000 -0.016 0.000 1.405 908 I HN -0.042 nan 8.210 nan 0.000 0.478 909 V N 5.924 125.831 119.914 -0.013 0.000 2.370 909 V HA 0.540 4.662 4.120 0.003 0.000 0.283 909 V C 0.364 176.452 176.094 -0.010 0.000 1.023 909 V CA -0.254 62.039 62.300 -0.011 0.000 0.857 909 V CB 1.452 33.269 31.823 -0.010 0.000 0.985 909 V HN 0.886 nan 8.190 nan 0.000 0.443 910 T N 0.000 114.548 114.554 -0.009 0.000 3.816 910 T HA 0.000 4.352 4.350 0.003 0.000 0.228 910 T CA 0.000 62.095 62.100 -0.008 0.000 1.349 910 T CB 0.000 68.862 68.868 -0.009 0.000 0.612 910 T HN 0.000 nan 8.240 nan 0.000 0.658