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 3gvj_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 IMFGSEAAEN 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 0.515 nan 4.420 nan 0.000 0.271 242 P C -0.579 176.729 177.300 0.012 0.000 1.216 242 P CA -0.385 62.721 63.100 0.011 0.000 0.776 242 P CB 1.050 32.757 31.700 0.011 0.000 0.881 243 R N 0.288 120.796 120.500 0.014 0.000 2.643 243 R HA 0.566 4.908 4.340 0.002 0.000 0.272 243 R C 0.371 176.684 176.300 0.022 0.000 0.995 243 R CA -0.208 55.902 56.100 0.018 0.000 1.032 243 R CB 1.392 31.702 30.300 0.018 0.000 1.126 243 R HN 0.852 nan 8.270 nan 0.000 0.505 244 G N 0.943 109.759 108.800 0.026 0.000 2.580 244 G HA2 -0.223 3.739 3.960 0.002 0.000 0.204 244 G HA3 -0.223 3.739 3.960 0.002 0.000 0.204 244 G C -0.386 174.539 174.900 0.040 0.000 1.107 244 G CA -0.007 45.112 45.100 0.031 0.000 0.881 244 G HN 0.619 nan 8.290 nan 0.000 0.497 245 S N -0.635 115.093 115.700 0.046 0.000 2.537 245 S HA 0.888 5.360 4.470 0.002 0.000 0.301 245 S C 0.483 175.132 174.600 0.082 0.000 1.092 245 S CA 0.148 58.384 58.200 0.059 0.000 1.048 245 S CB 2.315 65.546 63.200 0.052 0.000 1.053 245 S HN 1.966 nan 8.310 nan 0.000 0.501 246 A N 2.684 125.574 122.820 0.116 0.000 2.492 246 A HA 0.406 4.727 4.320 0.002 0.000 0.254 246 A C 1.025 178.711 177.584 0.170 0.000 1.091 246 A CA -0.515 51.631 52.037 0.183 0.000 0.768 246 A CB 0.112 19.274 19.000 0.270 0.000 1.028 246 A HN 0.806 nan 8.150 nan 0.000 0.498 247 K N 2.254 122.724 120.400 0.117 0.000 2.211 247 K HA 0.099 4.420 4.320 0.002 0.000 0.201 247 K C 1.329 177.886 176.600 -0.071 0.000 1.052 247 K CA 0.939 57.246 56.287 0.035 0.000 0.973 247 K CB -0.437 32.071 32.500 0.013 0.000 0.766 247 K HN 1.605 nan 8.250 nan 0.000 0.466 248 G N 3.713 112.390 108.800 -0.205 0.000 2.323 248 G HA2 -0.249 3.712 3.960 0.002 0.000 0.292 248 G HA3 -0.249 3.712 3.960 0.002 0.000 0.292 248 G C -0.062 174.606 174.900 -0.387 0.000 1.040 248 G CA 0.890 45.550 45.100 -0.733 0.000 0.942 248 G HN 0.464 nan 8.290 nan 0.000 0.506 249 D N -1.813 118.464 120.400 -0.205 0.000 2.431 249 D HA 0.380 5.022 4.640 0.002 0.000 0.213 249 D C 1.793 178.050 176.300 -0.072 0.000 1.130 249 D CA 0.399 54.330 54.000 -0.114 0.000 0.834 249 D CB -0.333 40.431 40.800 -0.060 0.000 0.985 249 D HN 1.376 nan 8.370 nan 0.000 0.504 250 G N -0.323 108.430 108.800 -0.079 0.000 2.196 250 G HA2 -0.338 3.624 3.960 0.002 0.000 0.268 250 G HA3 -0.338 3.624 3.960 0.002 0.000 0.268 250 G C 0.858 175.763 174.900 0.009 0.000 0.975 250 G CA 0.850 45.944 45.100 -0.010 0.000 0.648 250 G HN 0.402 nan 8.290 nan 0.000 0.538 251 V N -0.622 119.291 119.914 -0.001 0.000 3.054 251 V HA 0.208 4.330 4.120 0.002 0.000 0.227 251 V C 1.686 177.788 176.094 0.013 0.000 1.252 251 V CA 1.348 63.653 62.300 0.008 0.000 1.279 251 V CB -0.250 31.575 31.823 0.004 0.000 1.118 251 V HN 0.288 nan 8.190 nan 0.000 0.504 252 T N 2.387 116.948 114.554 0.012 0.000 2.908 252 T HA 0.020 4.371 4.350 0.002 0.000 0.301 252 T C -0.118 174.605 174.700 0.039 0.000 1.019 252 T CA 0.456 62.570 62.100 0.023 0.000 1.152 252 T CB 0.192 69.074 68.868 0.023 0.000 0.966 252 T HN 0.350 nan 8.240 nan 0.000 0.540 253 D N 2.439 122.864 120.400 0.040 0.000 2.348 253 D HA 0.025 4.667 4.640 0.002 0.000 0.259 253 D C 0.327 176.666 176.300 0.065 0.000 1.296 253 D CA -0.333 53.697 54.000 0.050 0.000 0.931 253 D CB 0.397 41.219 40.800 0.037 0.000 1.067 253 D HN 0.325 nan 8.370 nan 0.000 0.503 254 D N 2.418 122.876 120.400 0.096 0.000 2.328 254 D HA -0.010 4.631 4.640 0.002 0.000 0.221 254 D C 1.421 177.781 176.300 0.100 0.000 1.072 254 D CA 0.206 54.282 54.000 0.126 0.000 0.850 254 D CB 0.471 41.409 40.800 0.231 0.000 0.922 254 D HN 0.407 nan 8.370 nan 0.000 0.516 255 T N 0.321 114.913 114.554 0.064 0.000 2.684 255 T HA -0.196 4.156 4.350 0.002 0.000 0.267 255 T C 2.055 176.772 174.700 0.029 0.000 1.036 255 T CA 1.597 63.715 62.100 0.031 0.000 1.148 255 T CB -0.066 68.806 68.868 0.007 0.000 0.863 255 T HN 0.231 nan 8.240 nan 0.000 0.436 256 A N 1.465 124.304 122.820 0.032 0.000 1.877 256 A HA 0.162 4.483 4.320 0.002 0.000 0.216 256 A C 2.676 180.282 177.584 0.037 0.000 1.186 256 A CA 1.900 53.953 52.037 0.027 0.000 0.620 256 A CB -1.183 17.832 19.000 0.024 0.000 0.822 256 A HN 0.520 nan 8.150 nan 0.000 0.443 257 A N -0.306 122.545 122.820 0.052 0.000 1.902 257 A HA -0.040 4.282 4.320 0.002 0.000 0.217 257 A C 2.179 179.804 177.584 0.067 0.000 1.181 257 A CA 1.530 53.603 52.037 0.060 0.000 0.623 257 A CB -0.610 18.438 19.000 0.080 0.000 0.818 257 A HN 0.472 nan 8.150 nan 0.000 0.443 258 L N -0.902 120.370 121.223 0.082 0.000 2.093 258 L HA -0.138 4.203 4.340 0.002 0.000 0.208 258 L C 2.774 179.699 176.870 0.091 0.000 1.085 258 L CA 1.628 56.537 54.840 0.114 0.000 0.755 258 L CB -0.886 41.253 42.059 0.133 0.000 0.904 258 L HN 0.333 nan 8.230 nan 0.000 0.435 259 T N -1.199 113.385 114.554 0.050 0.000 2.684 259 T HA -0.228 4.123 4.350 0.002 0.000 0.267 259 T C 2.174 176.884 174.700 0.016 0.000 1.036 259 T CA 1.805 63.920 62.100 0.024 0.000 1.148 259 T CB -0.177 68.694 68.868 0.004 0.000 0.863 259 T HN 0.272 nan 8.240 nan 0.000 0.436 260 S N 0.798 116.510 115.700 0.019 0.000 2.353 260 S HA -0.120 4.352 4.470 0.002 0.000 0.222 260 S C 2.421 177.025 174.600 0.008 0.000 1.035 260 S CA 1.457 59.664 58.200 0.012 0.000 1.025 260 S CB -0.613 62.597 63.200 0.017 0.000 0.902 260 S HN 0.529 nan 8.310 nan 0.000 0.440 261 A N 1.212 124.043 122.820 0.018 0.000 1.908 261 A HA -0.016 4.305 4.320 0.002 0.000 0.218 261 A C 2.217 179.783 177.584 -0.030 0.000 1.181 261 A CA 1.626 53.665 52.037 0.002 0.000 0.627 261 A CB -0.842 18.171 19.000 0.021 0.000 0.818 261 A HN 0.581 nan 8.150 nan 0.000 0.445 262 L N -0.428 120.781 121.223 -0.023 0.000 2.093 262 L HA -0.172 4.170 4.340 0.002 0.000 0.208 262 L C 2.187 179.029 176.870 -0.047 0.000 1.085 262 L CA 1.114 55.919 54.840 -0.058 0.000 0.755 262 L CB -0.560 41.480 42.059 -0.032 0.000 0.904 262 L HN 0.325 nan 8.230 nan 0.000 0.435 263 N N -0.202 118.481 118.700 -0.027 0.000 2.244 263 N HA -0.147 4.594 4.740 0.002 0.000 0.183 263 N C 1.219 176.714 175.510 -0.026 0.000 1.016 263 N CA 1.121 54.156 53.050 -0.025 0.000 0.866 263 N CB -0.171 38.307 38.487 -0.016 0.000 0.980 263 N HN 0.306 nan 8.380 nan 0.000 0.430 264 D N -0.974 119.410 120.400 -0.025 0.000 2.354 264 D HA 0.007 4.649 4.640 0.002 0.000 0.209 264 D C 0.557 176.838 176.300 -0.030 0.000 1.015 264 D CA 0.531 54.517 54.000 -0.023 0.000 0.867 264 D CB 0.328 41.119 40.800 -0.014 0.000 0.933 264 D HN 0.196 nan 8.370 nan 0.000 0.520 265 T N -0.414 114.113 114.554 -0.045 0.000 2.861 265 T HA 0.519 4.870 4.350 0.002 0.000 0.287 265 T C -2.946 171.718 174.700 -0.058 0.000 1.003 265 T CA -2.175 59.890 62.100 -0.058 0.000 0.977 265 T CB 2.224 71.034 68.868 -0.096 0.000 0.996 265 T HN -0.361 nan 8.240 nan 0.000 0.448 266 P HA 0.050 nan 4.420 nan 0.000 0.264 266 P C 1.507 178.771 177.300 -0.060 0.000 1.183 266 P CA -0.376 62.695 63.100 -0.048 0.000 0.763 266 P CB 0.497 32.174 31.700 -0.039 0.000 0.807 267 V N 1.479 121.360 119.914 -0.055 0.000 2.568 267 V HA -0.118 4.004 4.120 0.002 0.000 0.253 267 V C 1.833 177.890 176.094 -0.062 0.000 1.072 267 V CA 2.116 64.379 62.300 -0.062 0.000 1.084 267 V CB -1.709 30.084 31.823 -0.049 0.000 0.676 267 V HN 0.633 nan 8.190 nan 0.000 0.469 268 G N -0.361 108.409 108.800 -0.049 0.000 2.813 268 G HA2 0.002 3.963 3.960 0.002 0.000 0.209 268 G HA3 0.002 3.963 3.960 0.002 0.000 0.209 268 G C 0.740 175.611 174.900 -0.048 0.000 1.150 268 G CA 0.296 45.371 45.100 -0.042 0.000 0.785 268 G HN 0.626 nan 8.290 nan 0.000 0.535 269 Q N 1.497 121.260 119.800 -0.061 0.000 2.311 269 Q HA 0.196 4.538 4.340 0.002 0.000 0.272 269 Q C -0.151 175.796 176.000 -0.089 0.000 1.012 269 Q CA 0.012 55.776 55.803 -0.066 0.000 0.891 269 Q CB 0.571 29.266 28.738 -0.071 0.000 1.201 269 Q HN -0.030 nan 8.270 nan 0.000 0.391 270 K N 5.293 125.655 120.400 -0.064 0.000 2.284 270 K HA 0.252 4.574 4.320 0.002 0.000 0.287 270 K C -0.429 176.123 176.600 -0.080 0.000 1.081 270 K CA -0.197 56.051 56.287 -0.064 0.000 0.910 270 K CB 0.359 32.850 32.500 -0.015 0.000 1.088 270 K HN 0.674 nan 8.250 nan 0.000 0.478 271 I N 3.003 123.473 120.570 -0.167 0.000 2.379 271 I HA -0.015 4.156 4.170 0.002 0.000 0.290 271 I C 0.727 176.851 176.117 0.012 0.000 1.063 271 I CA -0.292 60.913 61.300 -0.158 0.000 1.351 271 I CB 0.259 38.002 38.000 -0.429 0.000 1.410 271 I HN 0.367 nan 8.210 nan 0.000 0.505 272 N N 5.296 124.025 118.700 0.048 0.000 2.408 272 N HA 0.150 4.891 4.740 0.002 0.000 0.257 272 N C 0.852 176.442 175.510 0.133 0.000 1.064 272 N CA -0.006 53.103 53.050 0.099 0.000 0.952 272 N CB 1.839 40.369 38.487 0.072 0.000 1.093 272 N HN 0.760 nan 8.380 nan 0.000 0.490 273 G N 2.272 111.176 108.800 0.173 0.000 2.920 273 G HA2 -0.122 3.839 3.960 0.002 0.000 0.208 273 G HA3 -0.122 3.839 3.960 0.002 0.000 0.208 273 G C 0.461 175.532 174.900 0.285 0.000 1.159 273 G CA -0.257 44.970 45.100 0.212 0.000 0.784 273 G HN 0.793 nan 8.290 nan 0.000 0.535 274 N N -0.607 118.206 118.700 0.189 0.000 2.725 274 N HA -0.208 4.533 4.740 0.002 0.000 0.249 274 N C 1.484 177.077 175.510 0.138 0.000 1.103 274 N CA 1.614 54.748 53.050 0.140 0.000 0.707 274 N CB -1.460 37.098 38.487 0.118 0.000 1.043 274 N HN 1.044 nan 8.380 nan 0.000 0.553 275 G N -1.266 107.654 108.800 0.199 0.000 2.162 275 G HA2 -0.375 3.586 3.960 0.002 0.000 0.260 275 G HA3 -0.375 3.586 3.960 0.002 0.000 0.260 275 G C 0.147 175.225 174.900 0.296 0.000 0.976 275 G CA 1.059 46.292 45.100 0.222 0.000 0.655 275 G HN 0.571 nan 8.290 nan 0.000 0.533 276 K N 0.047 120.571 120.400 0.208 0.000 2.090 276 K HA 0.600 4.921 4.320 0.002 0.000 0.249 276 K C -0.091 176.429 176.600 -0.134 0.000 0.995 276 K CA -0.224 56.044 56.287 -0.032 0.000 0.914 276 K CB 0.902 33.240 32.500 -0.270 0.000 1.057 276 K HN 0.067 nan 8.250 nan 0.000 0.462 277 T N 1.753 116.129 114.554 -0.296 0.000 2.779 277 T HA 0.333 4.685 4.350 0.002 0.000 0.280 277 T C -1.136 173.328 174.700 -0.394 0.000 0.987 277 T CA -0.541 61.422 62.100 -0.230 0.000 0.966 277 T CB 0.147 68.992 68.868 -0.038 0.000 0.933 277 T HN 0.268 nan 8.240 nan 0.000 0.442 278 Y N 2.088 122.307 120.300 -0.135 0.000 2.334 278 Y HA 0.402 4.953 4.550 0.002 0.000 0.336 278 Y C 0.611 176.539 175.900 0.047 0.000 0.960 278 Y CA -1.054 57.012 58.100 -0.056 0.000 1.164 278 Y CB 1.169 39.560 38.460 -0.115 0.000 1.155 278 Y HN 0.431 nan 8.280 nan 0.000 0.478 279 K N 4.107 124.589 120.400 0.136 0.000 2.322 279 K HA 0.511 4.833 4.320 0.002 0.000 0.283 279 K C -0.790 175.891 176.600 0.135 0.000 1.042 279 K CA -0.299 56.057 56.287 0.116 0.000 0.958 279 K CB 0.456 32.992 32.500 0.059 0.000 0.984 279 K HN 0.607 nan 8.250 nan 0.000 0.473 280 V N 0.389 120.374 119.914 0.119 0.000 3.130 280 V HA 0.365 4.487 4.120 0.002 0.000 0.310 280 V C 0.649 176.787 176.094 0.073 0.000 1.158 280 V CA -0.394 61.941 62.300 0.059 0.000 1.029 280 V CB 1.373 33.173 31.823 -0.037 0.000 1.057 280 V HN 0.877 nan 8.190 nan 0.000 0.436 281 T N -1.497 113.074 114.554 0.029 0.000 3.067 281 T HA 0.319 4.670 4.350 0.002 0.000 0.257 281 T C 0.672 175.397 174.700 0.041 0.000 1.105 281 T CA 0.712 62.856 62.100 0.072 0.000 1.104 281 T CB -0.396 68.492 68.868 0.033 0.000 0.925 281 T HN 1.748 nan 8.240 nan 0.000 0.498 282 S N 0.068 115.641 115.700 -0.212 0.000 2.565 282 S HA 0.601 5.073 4.470 0.002 0.000 0.269 282 S C -1.022 173.171 174.600 -0.678 0.000 1.153 282 S CA -1.216 56.667 58.200 -0.528 0.000 0.835 282 S CB 0.899 63.925 63.200 -0.290 0.000 1.122 282 S HN 0.258 nan 8.310 nan 0.000 0.462 283 L N 2.627 123.292 121.223 -0.930 0.000 2.455 283 L HA 0.381 4.723 4.340 0.002 0.000 0.272 283 L C -1.574 174.943 176.870 -0.588 0.000 1.174 283 L CA -1.255 53.082 54.840 -0.837 0.000 0.869 283 L CB 0.111 41.652 42.059 -0.864 0.000 1.130 283 L HN 0.620 nan 8.230 nan 0.000 0.474 284 P HA 0.090 nan 4.420 nan 0.000 0.306 284 P C -0.916 176.226 177.300 -0.264 0.000 1.309 284 P CA -0.593 62.283 63.100 -0.372 0.000 0.759 284 P CB 0.531 32.030 31.700 -0.335 0.000 1.314 285 D N -0.077 120.277 120.400 -0.077 0.000 2.429 285 D HA 0.040 4.682 4.640 0.002 0.000 0.253 285 D C 1.231 177.609 176.300 0.129 0.000 1.294 285 D CA 0.119 54.111 54.000 -0.012 0.000 1.063 285 D CB -0.940 39.855 40.800 -0.009 0.000 1.096 285 D HN 0.160 nan 8.370 nan 0.000 0.516 286 I N 1.511 122.102 120.570 0.035 0.000 2.423 286 I HA -0.289 3.882 4.170 0.002 0.000 0.254 286 I C 2.296 178.573 176.117 0.266 0.000 1.151 286 I CA 0.953 62.358 61.300 0.175 0.000 1.421 286 I CB -0.219 37.801 38.000 0.034 0.000 1.079 286 I HN 0.341 nan 8.210 nan 0.000 0.431 287 S N 0.830 116.608 115.700 0.129 0.000 2.500 287 S HA -0.121 4.351 4.470 0.002 0.000 0.239 287 S C 1.873 176.514 174.600 0.068 0.000 0.989 287 S CA 0.666 58.919 58.200 0.087 0.000 0.951 287 S CB -0.360 62.856 63.200 0.028 0.000 0.759 287 S HN 0.470 nan 8.310 nan 0.000 0.523 288 R N -0.548 119.983 120.500 0.052 0.000 2.317 288 R HA 0.344 4.686 4.340 0.002 0.000 0.208 288 R C -0.800 175.338 176.300 -0.270 0.000 0.914 288 R CA 0.007 56.023 56.100 -0.140 0.000 1.060 288 R CB 0.110 30.257 30.300 -0.255 0.000 1.015 288 R HN 0.400 nan 8.270 nan 0.000 0.498 289 F N 1.111 121.094 119.950 0.055 0.000 2.480 289 F HA 0.453 4.981 4.527 0.003 0.000 0.329 289 F C 0.395 176.237 175.800 0.070 0.000 1.091 289 F CA -1.419 56.619 58.000 0.065 0.000 0.972 289 F CB 1.304 40.376 39.000 0.119 0.000 1.150 289 F HN -0.183 nan 8.300 nan 0.000 0.467 290 I N -0.310 120.396 120.570 0.228 0.000 2.740 290 I HA 0.591 4.762 4.170 0.002 0.000 0.303 290 I C -0.008 176.233 176.117 0.207 0.000 1.044 290 I CA -1.133 60.279 61.300 0.186 0.000 1.064 290 I CB 1.816 39.884 38.000 0.115 0.000 1.249 290 I HN 0.667 nan 8.210 nan 0.000 0.433 291 N N 2.104 120.942 118.700 0.229 0.000 2.725 291 N HA -0.164 4.577 4.740 0.002 0.000 0.251 291 N C -1.182 174.550 175.510 0.370 0.000 1.031 291 N CA 1.273 54.490 53.050 0.277 0.000 0.720 291 N CB -0.867 37.715 38.487 0.159 0.000 0.930 291 N HN 0.971 nan 8.380 nan 0.000 0.543 292 T N 0.467 115.198 114.554 0.294 0.000 2.893 292 T HA 0.492 4.844 4.350 0.002 0.000 0.293 292 T C -0.230 174.183 174.700 -0.480 0.000 1.027 292 T CA -0.752 61.320 62.100 -0.046 0.000 0.988 292 T CB 2.261 70.943 68.868 -0.311 0.000 1.043 292 T HN 0.341 nan 8.240 nan 0.000 0.461 293 R N 1.717 121.786 120.500 -0.717 0.000 2.599 293 R HA 0.674 5.016 4.340 0.002 0.000 0.295 293 R C -1.592 174.381 176.300 -0.546 0.000 0.963 293 R CA -0.681 54.951 56.100 -0.780 0.000 0.883 293 R CB 0.929 30.549 30.300 -1.133 0.000 1.171 293 R HN 0.495 nan 8.270 nan 0.000 0.450 294 F N 2.618 122.543 119.950 -0.041 0.000 2.450 294 F HA 0.472 5.001 4.527 0.002 0.000 0.332 294 F C -0.083 175.769 175.800 0.086 0.000 1.093 294 F CA -0.862 57.151 58.000 0.020 0.000 1.003 294 F CB 2.007 40.965 39.000 -0.070 0.000 1.151 294 F HN 0.098 nan 8.300 nan 0.000 0.474 295 V N 4.919 124.946 119.914 0.188 0.000 2.448 295 V HA 0.547 4.669 4.120 0.002 0.000 0.295 295 V C -1.868 174.281 176.094 0.091 0.000 1.025 295 V CA -0.666 61.598 62.300 -0.061 0.000 0.859 295 V CB 1.462 33.095 31.823 -0.317 0.000 0.988 295 V HN 0.739 nan 8.190 nan 0.000 0.431 296 Y N 4.355 124.622 120.300 -0.054 0.000 2.441 296 Y HA 0.533 5.084 4.550 0.002 0.000 0.334 296 Y C -0.331 175.559 175.900 -0.017 0.000 1.061 296 Y CA -0.641 57.438 58.100 -0.036 0.000 1.032 296 Y CB 2.053 40.440 38.460 -0.121 0.000 1.266 296 Y HN 0.668 nan 8.280 nan 0.000 0.441 297 E N 6.507 126.428 120.200 -0.467 0.000 2.079 297 E HA 0.193 4.544 4.350 0.002 0.000 0.252 297 E C 0.675 176.799 176.600 -0.793 0.000 0.992 297 E CA -0.419 55.686 56.400 -0.491 0.000 0.829 297 E CB 1.012 30.571 29.700 -0.235 0.000 1.158 297 E HN 0.678 nan 8.360 nan 0.000 0.435 298 R N 2.315 122.188 120.500 -1.046 0.000 2.103 298 R HA -0.100 4.242 4.340 0.002 0.000 0.242 298 R C 0.472 176.613 176.300 -0.265 0.000 1.142 298 R CA 1.109 56.816 56.100 -0.656 0.000 0.960 298 R CB 0.286 30.427 30.300 -0.265 0.000 0.858 298 R HN 0.328 nan 8.270 nan 0.000 0.439 299 I N 2.351 122.791 120.570 -0.217 0.000 2.339 299 I HA 0.318 4.489 4.170 0.002 0.000 0.290 299 I C -2.308 173.717 176.117 -0.154 0.000 0.994 299 I CA -3.527 57.691 61.300 -0.137 0.000 1.191 299 I CB 1.071 39.009 38.000 -0.103 0.000 1.343 299 I HN -0.083 nan 8.210 nan 0.000 0.458 300 P HA 0.202 nan 4.420 nan 0.000 0.264 300 P C 0.893 178.137 177.300 -0.093 0.000 1.193 300 P CA 0.657 63.700 63.100 -0.095 0.000 0.763 300 P CB 0.645 32.311 31.700 -0.058 0.000 0.810 301 G N 2.485 111.230 108.800 -0.091 0.000 2.176 301 G HA2 -0.234 3.728 3.960 0.002 0.000 0.232 301 G HA3 -0.234 3.728 3.960 0.002 0.000 0.232 301 G C 0.015 174.814 174.900 -0.167 0.000 0.986 301 G CA -0.338 44.718 45.100 -0.074 0.000 0.643 301 G HN 0.586 nan 8.290 nan 0.000 0.522 302 Q N 1.095 120.752 119.800 -0.239 0.000 3.064 302 Q HA 0.292 4.634 4.340 0.002 0.000 0.258 302 Q C -2.760 173.121 176.000 -0.198 0.000 0.972 302 Q CA -1.776 53.817 55.803 -0.350 0.000 0.761 302 Q CB 2.471 30.945 28.738 -0.441 0.000 1.281 302 Q HN 0.330 nan 8.270 nan 0.000 0.455 303 P HA 0.109 nan 4.420 nan 0.000 0.271 303 P C -0.640 176.576 177.300 -0.139 0.000 1.216 303 P CA 0.247 63.250 63.100 -0.162 0.000 0.771 303 P CB 1.051 32.660 31.700 -0.150 0.000 0.864 304 L N 3.166 124.282 121.223 -0.178 0.000 2.350 304 L HA 0.512 4.854 4.340 0.002 0.000 0.260 304 L C -0.422 176.289 176.870 -0.264 0.000 1.015 304 L CA -1.112 53.655 54.840 -0.122 0.000 0.821 304 L CB 1.538 43.553 42.059 -0.073 0.000 1.370 304 L HN 0.278 nan 8.230 nan 0.000 0.416 305 Y N -0.028 120.192 120.300 -0.133 0.000 2.409 305 Y HA 0.580 5.132 4.550 0.003 0.000 0.339 305 Y C -1.025 174.668 175.900 -0.344 0.000 1.033 305 Y CA -0.672 57.378 58.100 -0.084 0.000 1.094 305 Y CB 1.530 39.938 38.460 -0.088 0.000 1.210 305 Y HN 0.218 nan 8.280 nan 0.000 0.456 306 Y N 0.711 121.108 120.300 0.161 0.000 2.373 306 Y HA 0.681 5.233 4.550 0.003 0.000 0.336 306 Y C -0.267 175.669 175.900 0.059 0.000 0.979 306 Y CA -1.337 56.827 58.100 0.106 0.000 1.080 306 Y CB 1.759 40.285 38.460 0.110 0.000 1.190 306 Y HN 0.690 nan 8.280 nan 0.000 0.446 307 A N 2.354 125.250 122.820 0.126 0.000 2.274 307 A HA 0.585 4.907 4.320 0.002 0.000 0.309 307 A C 0.272 177.949 177.584 0.156 0.000 1.226 307 A CA -0.562 51.510 52.037 0.059 0.000 0.853 307 A CB 0.259 19.346 19.000 0.145 0.000 1.146 307 A HN 0.775 nan 8.150 nan 0.000 0.518 308 S N 2.654 118.445 115.700 0.152 0.000 2.596 308 S HA 0.221 4.693 4.470 0.002 0.000 0.260 308 S C 0.111 174.845 174.600 0.223 0.000 1.336 308 S CA -0.463 57.865 58.200 0.214 0.000 0.993 308 S CB 0.275 63.623 63.200 0.246 0.000 0.923 308 S HN 0.665 nan 8.310 nan 0.000 0.567 309 E N 1.087 121.404 120.200 0.194 0.000 2.442 309 E HA 0.040 4.392 4.350 0.002 0.000 0.262 309 E C 0.750 177.460 176.600 0.183 0.000 1.004 309 E CA 0.655 57.157 56.400 0.169 0.000 0.928 309 E CB 0.013 29.788 29.700 0.125 0.000 0.937 309 E HN 0.841 nan 8.360 nan 0.000 0.446 310 E N 0.052 120.352 120.200 0.166 0.000 4.028 310 E HA -0.311 4.041 4.350 0.002 0.000 0.343 310 E C 0.806 177.494 176.600 0.148 0.000 0.700 310 E CA 0.779 57.259 56.400 0.133 0.000 1.288 310 E CB -1.459 28.302 29.700 0.100 0.000 1.677 310 E HN 0.537 nan 8.360 nan 0.000 0.424 311 F N 1.276 121.278 119.950 0.087 0.000 2.134 311 F HA -0.039 4.489 4.527 0.002 0.000 0.299 311 F C 1.004 176.853 175.800 0.082 0.000 1.097 311 F CA 1.297 59.344 58.000 0.078 0.000 1.264 311 F CB 0.473 39.520 39.000 0.079 0.000 1.001 311 F HN -0.141 nan 8.300 nan 0.000 0.479 312 V N 1.444 121.461 119.914 0.173 0.000 2.547 312 V HA 0.222 4.343 4.120 0.002 0.000 0.299 312 V C -0.432 175.717 176.094 0.091 0.000 1.040 312 V CA -0.895 61.468 62.300 0.106 0.000 0.913 312 V CB 1.648 33.603 31.823 0.220 0.000 0.992 312 V HN -0.009 nan 8.190 nan 0.000 0.449 313 Q N 2.842 122.667 119.800 0.041 0.000 2.369 313 Q HA 0.567 4.909 4.340 0.002 0.000 0.247 313 Q C 0.293 176.347 176.000 0.090 0.000 1.083 313 Q CA -0.001 55.837 55.803 0.057 0.000 0.905 313 Q CB 1.094 29.847 28.738 0.026 0.000 1.305 313 Q HN 0.956 nan 8.270 nan 0.000 0.465 314 G N 1.824 110.678 108.800 0.090 0.000 2.576 314 G HA2 0.499 4.461 3.960 0.002 0.000 0.290 314 G HA3 0.499 4.461 3.960 0.002 0.000 0.290 314 G C -1.842 172.956 174.900 -0.171 0.000 1.442 314 G CA -0.480 44.599 45.100 -0.036 0.000 0.792 314 G HN 0.418 nan 8.290 nan 0.000 0.491 315 E N -0.696 119.181 120.200 -0.539 0.000 2.363 315 E HA 0.479 4.830 4.350 0.002 0.000 0.281 315 E C -1.841 174.484 176.600 -0.458 0.000 0.953 315 E CA -0.787 55.387 56.400 -0.376 0.000 0.778 315 E CB 2.577 32.129 29.700 -0.247 0.000 1.220 315 E HN 0.480 nan 8.360 nan 0.000 0.431 316 L N 4.135 125.250 121.223 -0.179 0.000 2.312 316 L HA 0.579 4.920 4.340 0.002 0.000 0.281 316 L C -1.604 175.217 176.870 -0.081 0.000 1.070 316 L CA 0.162 55.049 54.840 0.078 0.000 0.805 316 L CB 0.511 42.707 42.059 0.227 0.000 1.174 316 L HN 0.487 nan 8.230 nan 0.000 0.434 317 F N 3.463 123.453 119.950 0.067 0.000 2.546 317 F HA 0.482 5.010 4.527 0.003 0.000 0.320 317 F C 0.010 175.791 175.800 -0.032 0.000 1.076 317 F CA -0.818 57.198 58.000 0.027 0.000 0.928 317 F CB 1.656 40.687 39.000 0.050 0.000 1.189 317 F HN 0.335 nan 8.300 nan 0.000 0.465 318 K N 3.475 123.894 120.400 0.032 0.000 2.227 318 K HA 0.429 4.751 4.320 0.002 0.000 0.280 318 K C 0.422 176.782 176.600 -0.400 0.000 1.041 318 K CA -0.247 55.804 56.287 -0.393 0.000 0.905 318 K CB 0.741 33.009 32.500 -0.387 0.000 1.068 318 K HN 0.832 nan 8.250 nan 0.000 0.470 319 I N 0.037 120.206 120.570 -0.668 0.000 4.323 319 I HA 0.167 4.339 4.170 0.002 0.000 0.328 319 I C 0.013 175.795 176.117 -0.558 0.000 1.310 319 I CA -0.361 60.470 61.300 -0.782 0.000 1.186 319 I CB 0.960 38.009 38.000 -1.586 0.000 1.130 319 I HN 0.464 nan 8.210 nan 0.000 0.411 320 T N -1.800 112.431 114.554 -0.538 0.000 2.916 320 T HA 0.578 4.929 4.350 0.002 0.000 0.292 320 T C -1.038 173.482 174.700 -0.300 0.000 1.055 320 T CA -0.445 61.438 62.100 -0.361 0.000 1.009 320 T CB 2.541 71.175 68.868 -0.390 0.000 1.118 320 T HN 0.129 nan 8.240 nan 0.000 0.497 321 D N 1.303 121.606 120.400 -0.161 0.000 2.668 321 D HA 0.311 4.953 4.640 0.002 0.000 0.247 321 D C -0.602 175.682 176.300 -0.025 0.000 1.268 321 D CA -0.132 53.802 54.000 -0.110 0.000 0.842 321 D CB 0.791 41.533 40.800 -0.096 0.000 1.399 321 D HN 0.917 nan 8.370 nan 0.000 0.530 322 T N -0.600 113.959 114.554 0.009 0.000 2.916 322 T HA 0.650 5.001 4.350 0.002 0.000 0.292 322 T C -2.180 172.555 174.700 0.058 0.000 1.055 322 T CA -1.951 60.202 62.100 0.089 0.000 1.009 322 T CB 2.262 71.263 68.868 0.222 0.000 1.118 322 T HN -0.174 nan 8.240 nan 0.000 0.497 323 P HA 0.141 nan 4.420 nan 0.000 0.236 323 P C -0.157 177.059 177.300 -0.140 0.000 1.177 323 P CA 0.263 63.277 63.100 -0.143 0.000 0.773 323 P CB -0.281 31.240 31.700 -0.298 0.000 0.878 324 Y N -1.289 119.057 120.300 0.076 0.000 2.426 324 Y HA -0.003 4.549 4.550 0.003 0.000 0.344 324 Y C 0.988 177.029 175.900 0.236 0.000 1.256 324 Y CA -0.324 57.892 58.100 0.195 0.000 1.451 324 Y CB -0.091 38.527 38.460 0.262 0.000 1.342 324 Y HN -0.096 nan 8.280 nan 0.000 0.600 325 Y N 3.036 123.537 120.300 0.335 0.000 2.640 325 Y HA 0.109 4.660 4.550 0.002 0.000 0.355 325 Y C -0.626 175.390 175.900 0.193 0.000 1.088 325 Y CA -0.391 57.812 58.100 0.170 0.000 1.443 325 Y CB -0.560 37.918 38.460 0.029 0.000 1.224 325 Y HN 0.523 nan 8.280 nan 0.000 0.516 326 N N 5.036 123.854 118.700 0.197 0.000 2.469 326 N HA 0.682 5.424 4.740 0.002 0.000 0.253 326 N C -0.979 174.494 175.510 -0.061 0.000 0.970 326 N CA -0.362 52.796 53.050 0.180 0.000 0.940 326 N CB 1.338 39.819 38.487 -0.011 0.000 1.128 326 N HN 0.601 nan 8.380 nan 0.000 0.503 327 A N 1.373 124.185 122.820 -0.013 0.000 2.524 327 A HA 0.561 4.882 4.320 0.002 0.000 0.303 327 A C -1.332 176.256 177.584 0.005 0.000 1.195 327 A CA -0.745 51.052 52.037 -0.400 0.000 0.651 327 A CB 0.711 18.954 19.000 -1.263 0.000 1.323 327 A HN 0.709 nan 8.150 nan 0.000 0.479 328 W N -2.469 118.913 121.300 0.136 0.000 5.820 328 W HA -0.112 4.549 4.660 0.002 0.000 0.415 328 W C -2.273 174.334 176.519 0.147 0.000 1.627 328 W CA 0.207 57.628 57.345 0.128 0.000 0.991 328 W CB -2.244 27.256 29.460 0.067 0.000 2.842 328 W HN 0.541 nan 8.180 nan 0.000 1.416 329 P HA -0.189 nan 4.420 nan 0.000 0.219 329 P C 1.172 178.611 177.300 0.232 0.000 1.146 329 P CA 1.912 65.154 63.100 0.237 0.000 0.808 329 P CB 0.123 31.911 31.700 0.147 0.000 0.779 330 Q N 0.838 120.801 119.800 0.273 0.000 2.304 330 Q HA -0.067 4.274 4.340 0.002 0.000 0.315 330 Q C -0.409 175.640 176.000 0.082 0.000 1.075 330 Q CA 0.358 56.304 55.803 0.239 0.000 0.988 330 Q CB -0.163 28.853 28.738 0.464 0.000 1.146 330 Q HN -0.039 nan 8.270 nan 0.000 0.383 331 D N 2.440 122.746 120.400 -0.157 0.000 2.460 331 D HA 0.213 4.854 4.640 0.002 0.000 0.268 331 D C -0.456 175.871 176.300 0.044 0.000 1.153 331 D CA -0.481 53.480 54.000 -0.065 0.000 0.929 331 D CB 0.557 41.232 40.800 -0.208 0.000 1.015 331 D HN 0.630 nan 8.370 nan 0.000 0.502 332 K N 0.779 121.252 120.400 0.121 0.000 2.425 332 K HA 0.352 4.673 4.320 0.002 0.000 0.201 332 K C 0.708 177.461 176.600 0.256 0.000 1.128 332 K CA -0.368 56.019 56.287 0.166 0.000 1.000 332 K CB 1.116 33.721 32.500 0.175 0.000 0.961 332 K HN 0.283 nan 8.250 nan 0.000 0.555 333 A N 1.864 124.810 122.820 0.210 0.000 2.425 333 A HA 0.477 4.798 4.320 0.002 0.000 0.242 333 A C -0.157 177.568 177.584 0.235 0.000 1.077 333 A CA 0.078 52.211 52.037 0.159 0.000 0.781 333 A CB -0.240 18.831 19.000 0.118 0.000 1.020 333 A HN 0.289 nan 8.150 nan 0.000 0.494 334 F N -1.303 118.693 119.950 0.077 0.000 2.741 334 F HA 0.639 5.168 4.527 0.003 0.000 0.311 334 F C -1.295 174.567 175.800 0.102 0.000 1.149 334 F CA -1.277 56.755 58.000 0.053 0.000 0.930 334 F CB 0.978 39.951 39.000 -0.045 0.000 1.312 334 F HN 0.354 nan 8.300 nan 0.000 0.450 335 V N 2.059 122.130 119.914 0.262 0.000 2.459 335 V HA 0.514 4.636 4.120 0.002 0.000 0.295 335 V C -1.672 174.648 176.094 0.378 0.000 1.029 335 V CA -0.684 61.730 62.300 0.190 0.000 0.874 335 V CB 1.589 33.470 31.823 0.096 0.000 0.985 335 V HN 0.798 nan 8.190 nan 0.000 0.438 336 Y N 2.939 123.373 120.300 0.224 0.000 2.332 336 Y HA 0.380 4.931 4.550 0.002 0.000 0.325 336 Y C 0.347 176.323 175.900 0.128 0.000 1.054 336 Y CA -0.748 57.465 58.100 0.188 0.000 1.119 336 Y CB 1.387 39.958 38.460 0.185 0.000 1.168 336 Y HN 0.812 nan 8.280 nan 0.000 0.439 337 E N 4.731 124.701 120.200 -0.385 0.000 2.228 337 E HA -0.379 3.972 4.350 0.002 0.000 0.213 337 E C 0.069 176.604 176.600 -0.108 0.000 1.282 337 E CA 1.460 57.695 56.400 -0.275 0.000 0.707 337 E CB -1.243 28.262 29.700 -0.324 0.000 1.150 337 E HN 1.003 nan 8.360 nan 0.000 0.362 338 N N -2.745 115.902 118.700 -0.088 0.000 2.936 338 N HA -0.212 4.530 4.740 0.002 0.000 0.236 338 N C -0.345 175.073 175.510 -0.153 0.000 0.930 338 N CA 1.223 54.215 53.050 -0.096 0.000 0.966 338 N CB -0.419 38.014 38.487 -0.089 0.000 1.090 338 N HN 0.190 nan 8.380 nan 0.000 0.592 339 V N 1.615 121.444 119.914 -0.142 0.000 2.439 339 V HA 0.431 4.552 4.120 0.002 0.000 0.282 339 V C 0.515 176.395 176.094 -0.356 0.000 1.039 339 V CA -0.453 61.659 62.300 -0.313 0.000 0.913 339 V CB 1.522 33.123 31.823 -0.369 0.000 0.983 339 V HN 0.089 nan 8.190 nan 0.000 0.460 340 I N 5.059 125.295 120.570 -0.556 0.000 2.315 340 I HA 0.366 4.538 4.170 0.002 0.000 0.291 340 I C -1.002 174.749 176.117 -0.611 0.000 1.006 340 I CA -0.388 60.613 61.300 -0.499 0.000 1.265 340 I CB 0.849 38.486 38.000 -0.604 0.000 1.387 340 I HN 0.499 nan 8.210 nan 0.000 0.475 341 Y N 4.634 124.573 120.300 -0.601 0.000 2.331 341 Y HA 0.558 5.110 4.550 0.003 0.000 0.338 341 Y C 0.386 176.075 175.900 -0.351 0.000 0.992 341 Y CA -0.790 56.876 58.100 -0.724 0.000 1.121 341 Y CB 1.842 39.367 38.460 -1.559 0.000 1.184 341 Y HN 0.584 nan 8.280 nan 0.000 0.469 342 A N 6.380 129.226 122.820 0.045 0.000 2.786 342 A HA 0.560 4.882 4.320 0.002 0.000 0.346 342 A C -2.873 174.899 177.584 0.313 0.000 1.265 342 A CA -1.769 50.344 52.037 0.127 0.000 0.858 342 A CB -0.283 18.720 19.000 0.005 0.000 1.118 342 A HN 0.376 nan 8.150 nan 0.000 0.482 343 P HA 0.494 nan 4.420 nan 0.000 0.274 343 P C -0.708 176.833 177.300 0.401 0.000 1.231 343 P CA 0.151 63.513 63.100 0.438 0.000 0.790 343 P CB 0.387 32.344 31.700 0.428 0.000 0.951 344 Y N -1.714 118.696 120.300 0.183 0.000 2.871 344 Y HA 0.709 5.260 4.550 0.002 0.000 0.331 344 Y C -1.519 174.475 175.900 0.156 0.000 1.378 344 Y CA -1.431 56.768 58.100 0.164 0.000 1.079 344 Y CB 0.877 39.414 38.460 0.129 0.000 1.441 344 Y HN 0.072 nan 8.280 nan 0.000 0.446 345 M N 1.703 121.482 119.600 0.298 0.000 2.253 345 M HA 0.565 5.046 4.480 0.002 0.000 0.314 345 M C -0.447 176.073 176.300 0.367 0.000 1.019 345 M CA -0.757 54.634 55.300 0.152 0.000 0.932 345 M CB 2.305 34.939 32.600 0.057 0.000 1.606 345 M HN 0.928 nan 8.290 nan 0.000 0.430 346 G N 1.716 110.592 108.800 0.128 0.000 2.415 346 G HA2 0.602 4.563 3.960 0.002 0.000 0.317 346 G HA3 0.602 4.563 3.960 0.002 0.000 0.317 346 G C -0.346 174.596 174.900 0.070 0.000 1.152 346 G CA -0.282 44.952 45.100 0.224 0.000 0.956 346 G HN 0.772 nan 8.290 nan 0.000 0.458 347 S N 0.717 116.574 115.700 0.262 0.000 3.081 347 S HA 0.628 5.099 4.470 0.002 0.000 0.316 347 S C 0.213 174.985 174.600 0.287 0.000 1.089 347 S CA 0.067 58.372 58.200 0.176 0.000 0.897 347 S CB 1.870 65.113 63.200 0.071 0.000 1.358 347 S HN 0.415 nan 8.310 nan 0.000 0.678 348 D N -0.564 119.904 120.400 0.113 0.000 2.469 348 D HA 0.260 4.901 4.640 0.002 0.000 0.213 348 D C 0.500 176.633 176.300 -0.279 0.000 1.135 348 D CA -0.264 53.684 54.000 -0.087 0.000 0.834 348 D CB 0.063 40.913 40.800 0.084 0.000 1.009 348 D HN 0.797 nan 8.370 nan 0.000 0.507 349 R N -1.721 118.661 120.500 -0.198 0.000 2.832 349 R HA 0.222 4.564 4.340 0.002 0.000 0.283 349 R C -1.531 174.630 176.300 -0.232 0.000 0.998 349 R CA -0.768 55.184 56.100 -0.245 0.000 0.843 349 R CB -0.258 29.997 30.300 -0.076 0.000 1.332 349 R HN -0.184 nan 8.270 nan 0.000 0.490 350 H N -0.155 118.764 119.070 -0.252 0.000 3.356 350 H HA 0.511 5.068 4.556 0.003 0.000 0.260 350 H C 0.280 175.507 175.328 -0.167 0.000 1.570 350 H CA 1.645 57.629 56.048 -0.107 0.000 1.547 350 H CB 0.323 30.099 29.762 0.023 0.000 1.774 350 H HN 0.847 nan 8.280 nan 0.000 0.542 351 G N -0.396 108.282 108.800 -0.204 0.000 2.320 351 G HA2 0.148 4.109 3.960 0.002 0.000 0.297 351 G HA3 0.148 4.109 3.960 0.002 0.000 0.297 351 G C 0.080 174.873 174.900 -0.179 0.000 1.344 351 G CA -0.234 44.764 45.100 -0.169 0.000 0.851 351 G HN 0.456 nan 8.290 nan 0.000 0.567 352 V N -2.046 117.789 119.914 -0.133 0.000 3.621 352 V HA 0.486 4.607 4.120 0.002 0.000 0.285 352 V C 1.251 177.329 176.094 -0.028 0.000 1.346 352 V CA 0.933 63.175 62.300 -0.097 0.000 1.104 352 V CB 0.069 31.834 31.823 -0.097 0.000 0.913 352 V HN 1.237 nan 8.190 nan 0.000 0.432 353 S N 1.607 117.297 115.700 -0.016 0.000 2.546 353 S HA 0.229 4.701 4.470 0.002 0.000 0.290 353 S C 1.152 175.812 174.600 0.102 0.000 1.290 353 S CA 0.469 58.712 58.200 0.073 0.000 1.069 353 S CB -0.403 62.817 63.200 0.033 0.000 0.846 353 S HN 0.741 nan 8.310 nan 0.000 0.495 354 R N 0.456 121.063 120.500 0.179 0.000 3.946 354 R HA -0.158 4.184 4.340 0.002 0.000 0.329 354 R C -0.071 176.101 176.300 -0.214 0.000 1.209 354 R CA 0.592 56.700 56.100 0.014 0.000 0.909 354 R CB -1.688 28.733 30.300 0.202 0.000 1.355 354 R HN 0.572 nan 8.270 nan 0.000 0.539 355 L N 2.416 123.494 121.223 -0.241 0.000 2.410 355 L HA 0.166 4.508 4.340 0.002 0.000 0.273 355 L C 0.170 176.677 176.870 -0.606 0.000 1.152 355 L CA 0.756 55.414 54.840 -0.304 0.000 0.855 355 L CB 0.473 42.426 42.059 -0.176 0.000 1.129 355 L HN 0.134 nan 8.230 nan 0.000 0.463 356 H N 4.366 123.173 119.070 -0.438 0.000 2.547 356 H HA 0.272 4.830 4.556 0.002 0.000 0.342 356 H C -0.460 174.663 175.328 -0.341 0.000 1.048 356 H CA -0.725 55.023 56.048 -0.499 0.000 1.204 356 H CB 2.170 31.325 29.762 -1.013 0.000 1.493 356 H HN 0.329 nan 8.280 nan 0.000 0.511 357 V N 3.484 123.295 119.914 -0.172 0.000 2.529 357 V HA 0.058 4.180 4.120 0.002 0.000 0.292 357 V C 0.511 176.492 176.094 -0.188 0.000 1.028 357 V CA 0.515 62.696 62.300 -0.199 0.000 1.074 357 V CB 0.614 32.299 31.823 -0.229 0.000 0.958 357 V HN 0.741 nan 8.190 nan 0.000 0.481 358 S N 3.530 119.046 115.700 -0.306 0.000 2.667 358 S HA 0.861 5.333 4.470 0.002 0.000 0.292 358 S C -1.243 173.242 174.600 -0.191 0.000 1.126 358 S CA -0.659 57.334 58.200 -0.345 0.000 0.881 358 S CB 2.198 65.001 63.200 -0.661 0.000 1.132 358 S HN 0.875 nan 8.310 nan 0.000 0.492 359 W N 0.430 121.728 121.300 -0.003 0.000 3.213 359 W HA 0.746 5.407 4.660 0.002 0.000 0.318 359 W C -1.626 175.055 176.519 0.270 0.000 1.248 359 W CA -1.457 56.005 57.345 0.195 0.000 1.187 359 W CB -0.361 29.214 29.460 0.191 0.000 1.403 359 W HN 0.599 nan 8.180 nan 0.000 0.556 360 V N 0.103 120.362 119.914 0.575 0.000 2.815 360 V HA 0.834 4.956 4.120 0.002 0.000 0.314 360 V C -0.475 175.727 176.094 0.178 0.000 1.064 360 V CA -1.528 60.976 62.300 0.340 0.000 0.952 360 V CB 1.653 33.616 31.823 0.233 0.000 1.020 360 V HN 0.648 nan 8.190 nan 0.000 0.439 361 K N 1.424 121.847 120.400 0.037 0.000 2.443 361 K HA 0.750 5.071 4.320 0.002 0.000 0.251 361 K C -1.005 175.316 176.600 -0.466 0.000 0.972 361 K CA -0.590 55.484 56.287 -0.355 0.000 0.833 361 K CB 2.198 34.261 32.500 -0.727 0.000 1.317 361 K HN 0.782 nan 8.250 nan 0.000 0.441 362 S N -0.246 114.885 115.700 -0.948 0.000 2.532 362 S HA 0.519 4.990 4.470 0.002 0.000 0.299 362 S C 0.065 174.215 174.600 -0.749 0.000 1.105 362 S CA -0.570 56.937 58.200 -1.155 0.000 1.018 362 S CB 1.194 63.168 63.200 -2.043 0.000 1.021 362 S HN 0.791 nan 8.310 nan 0.000 0.483 363 G N 2.029 110.509 108.800 -0.533 0.000 3.393 363 G HA2 0.230 4.192 3.960 0.002 0.000 0.255 363 G HA3 0.230 4.192 3.960 0.002 0.000 0.255 363 G C -0.130 174.603 174.900 -0.278 0.000 1.097 363 G CA -0.242 44.642 45.100 -0.361 0.000 0.780 363 G HN 0.772 nan 8.290 nan 0.000 0.540 364 D N -1.033 119.163 120.400 -0.339 0.000 2.837 364 D HA 0.153 4.795 4.640 0.002 0.000 0.340 364 D C -0.093 176.031 176.300 -0.293 0.000 1.451 364 D CA -0.735 53.130 54.000 -0.225 0.000 0.798 364 D CB -0.188 40.572 40.800 -0.067 0.000 1.169 364 D HN -0.058 nan 8.370 nan 0.000 0.449 365 D N 0.293 120.476 120.400 -0.361 0.000 2.870 365 D HA -0.110 4.531 4.640 0.002 0.000 0.228 365 D C 1.343 177.428 176.300 -0.359 0.000 1.147 365 D CA 1.626 55.437 54.000 -0.315 0.000 0.757 365 D CB -1.471 39.225 40.800 -0.175 0.000 1.091 365 D HN 0.765 nan 8.370 nan 0.000 0.429 366 G N -0.700 107.723 108.800 -0.629 0.000 2.157 366 G HA2 -0.402 3.560 3.960 0.002 0.000 0.248 366 G HA3 -0.402 3.560 3.960 0.002 0.000 0.248 366 G C 0.922 175.347 174.900 -0.792 0.000 0.979 366 G CA 0.669 45.353 45.100 -0.692 0.000 0.650 366 G HN 0.477 nan 8.290 nan 0.000 0.529 367 Q N -0.258 119.180 119.800 -0.604 0.000 2.083 367 Q HA 0.095 4.436 4.340 0.002 0.000 0.198 367 Q C 1.587 177.503 176.000 -0.141 0.000 0.969 367 Q CA 1.649 57.226 55.803 -0.377 0.000 0.838 367 Q CB 0.125 28.628 28.738 -0.392 0.000 0.900 367 Q HN 0.832 nan 8.270 nan 0.000 0.436 368 T N -3.093 111.319 114.554 -0.236 0.000 2.883 368 T HA 0.535 4.886 4.350 0.002 0.000 0.296 368 T C -1.636 172.828 174.700 -0.393 0.000 1.117 368 T CA -0.871 61.167 62.100 -0.104 0.000 1.006 368 T CB 1.467 70.337 68.868 0.004 0.000 1.191 368 T HN 0.164 nan 8.240 nan 0.000 0.508 369 W N 0.685 121.889 121.300 -0.160 0.000 3.033 369 W HA 0.632 5.294 4.660 0.002 0.000 0.336 369 W C 0.238 176.679 176.519 -0.131 0.000 1.173 369 W CA -0.697 56.547 57.345 -0.169 0.000 1.185 369 W CB 1.946 31.297 29.460 -0.181 0.000 1.425 369 W HN 1.007 nan 8.180 nan 0.000 0.536 370 S N -0.395 115.369 115.700 0.107 0.000 2.645 370 S HA 0.478 4.949 4.470 0.002 0.000 0.266 370 S C 0.053 174.699 174.600 0.077 0.000 1.258 370 S CA -0.646 57.580 58.200 0.044 0.000 0.990 370 S CB 0.625 63.825 63.200 0.000 0.000 0.967 370 S HN 0.349 nan 8.310 nan 0.000 0.556 371 T N 3.643 118.224 114.554 0.044 0.000 2.902 371 T HA 0.242 4.594 4.350 0.002 0.000 0.301 371 T C -2.267 172.476 174.700 0.073 0.000 1.012 371 T CA -0.314 61.807 62.100 0.035 0.000 1.151 371 T CB -0.318 68.544 68.868 -0.009 0.000 0.946 371 T HN 0.495 nan 8.240 nan 0.000 0.542 372 P HA 0.095 nan 4.420 nan 0.000 0.265 372 P C -0.288 177.032 177.300 0.033 0.000 1.187 372 P CA 0.045 63.238 63.100 0.155 0.000 0.766 372 P CB 0.466 32.286 31.700 0.202 0.000 0.820 373 E N 2.610 122.874 120.200 0.106 0.000 2.176 373 E HA 0.206 4.558 4.350 0.002 0.000 0.267 373 E C -0.984 175.613 176.600 -0.006 0.000 0.893 373 E CA -0.778 55.621 56.400 -0.002 0.000 0.761 373 E CB 0.631 30.401 29.700 0.118 0.000 1.133 373 E HN 0.278 nan 8.360 nan 0.000 0.409 374 W N 5.766 126.983 121.300 -0.138 0.000 2.304 374 W HA 0.187 4.848 4.660 0.002 0.000 0.313 374 W C 0.641 177.085 176.519 -0.126 0.000 1.323 374 W CA -0.549 56.687 57.345 -0.182 0.000 1.223 374 W CB 0.280 29.573 29.460 -0.279 0.000 1.237 374 W HN 0.695 nan 8.180 nan 0.000 0.535 375 L N 2.289 123.541 121.223 0.048 0.000 2.463 375 L HA 0.054 4.395 4.340 0.002 0.000 0.219 375 L C 1.212 178.159 176.870 0.128 0.000 1.088 375 L CA 0.786 55.647 54.840 0.036 0.000 0.849 375 L CB -0.280 41.692 42.059 -0.145 0.000 1.012 375 L HN 0.324 nan 8.230 nan 0.000 0.468 376 T N -4.113 110.471 114.554 0.050 0.000 2.893 376 T HA 0.415 4.766 4.350 0.002 0.000 0.291 376 T C -0.597 174.204 174.700 0.167 0.000 1.028 376 T CA -0.948 61.160 62.100 0.013 0.000 0.995 376 T CB 2.535 71.265 68.868 -0.231 0.000 1.051 376 T HN -0.192 nan 8.240 nan 0.000 0.470 377 D N 1.040 121.549 120.400 0.182 0.000 2.387 377 D HA 0.337 4.979 4.640 0.002 0.000 0.251 377 D C 0.496 176.843 176.300 0.079 0.000 1.141 377 D CA -0.499 53.608 54.000 0.178 0.000 0.987 377 D CB 1.065 41.965 40.800 0.166 0.000 1.116 377 D HN 0.506 nan 8.370 nan 0.000 0.491 378 L N 1.409 122.559 121.223 -0.122 0.000 2.490 378 L HA -0.028 4.314 4.340 0.002 0.000 0.274 378 L C 1.259 178.105 176.870 -0.040 0.000 1.201 378 L CA 0.134 54.815 54.840 -0.266 0.000 0.869 378 L CB 0.139 41.873 42.059 -0.542 0.000 1.123 378 L HN 0.345 nan 8.230 nan 0.000 0.484 379 H N 5.574 124.510 119.070 -0.223 0.000 2.948 379 H HA -0.001 4.557 4.556 0.002 0.000 0.351 379 H C -1.730 173.561 175.328 -0.062 0.000 1.079 379 H CA -1.053 54.813 56.048 -0.303 0.000 1.407 379 H CB 1.412 30.822 29.762 -0.587 0.000 1.373 379 H HN 0.356 nan 8.280 nan 0.000 0.605 380 P HA -0.090 nan 4.420 nan 0.000 0.219 380 P C 0.259 177.651 177.300 0.154 0.000 1.146 380 P CA 1.263 64.363 63.100 -0.001 0.000 0.808 380 P CB 0.332 31.976 31.700 -0.093 0.000 0.779 381 D N -2.550 118.093 120.400 0.405 0.000 2.388 381 D HA 0.023 4.664 4.640 0.002 0.000 0.221 381 D C 0.199 176.561 176.300 0.103 0.000 1.133 381 D CA -0.369 53.760 54.000 0.216 0.000 0.831 381 D CB -0.564 40.320 40.800 0.141 0.000 0.962 381 D HN 0.203 nan 8.370 nan 0.000 0.502 382 Y N 3.136 123.446 120.300 0.018 0.000 2.712 382 Y HA 0.036 4.587 4.550 0.002 0.000 0.333 382 Y C -1.181 174.700 175.900 -0.031 0.000 1.225 382 Y CA -0.752 57.317 58.100 -0.051 0.000 1.499 382 Y CB 0.903 39.330 38.460 -0.056 0.000 1.288 382 Y HN -0.048 nan 8.280 nan 0.000 0.575 383 P HA 0.139 nan 4.420 nan 0.000 0.262 383 P C 0.270 177.273 177.300 -0.495 0.000 1.651 383 P CA 0.145 62.738 63.100 -0.845 0.000 1.119 383 P CB 0.470 31.764 31.700 -0.676 0.000 1.552 384 T N -0.491 113.884 114.554 -0.298 0.000 2.851 384 T HA 0.048 4.399 4.350 0.002 0.000 0.262 384 T C 1.124 175.660 174.700 -0.275 0.000 1.043 384 T CA 1.046 63.004 62.100 -0.238 0.000 1.140 384 T CB -0.086 68.684 68.868 -0.163 0.000 0.872 384 T HN 0.148 nan 8.240 nan 0.000 0.446 385 V N -0.686 119.032 119.914 -0.326 0.000 3.102 385 V HA 0.910 5.031 4.120 0.002 0.000 0.312 385 V C -1.200 174.678 176.094 -0.361 0.000 1.135 385 V CA -1.206 60.859 62.300 -0.391 0.000 1.022 385 V CB 2.253 33.751 31.823 -0.541 0.000 1.056 385 V HN 0.117 nan 8.190 nan 0.000 0.436 386 N N -0.731 117.776 118.700 -0.322 0.000 2.927 386 N HA 0.554 5.296 4.740 0.002 0.000 0.248 386 N C -1.646 173.714 175.510 -0.250 0.000 1.443 386 N CA -0.569 52.339 53.050 -0.236 0.000 0.870 386 N CB 1.507 39.996 38.487 0.004 0.000 1.444 386 N HN 0.738 nan 8.380 nan 0.000 0.519 387 Y N 0.496 120.765 120.300 -0.052 0.000 2.298 387 Y HA 0.404 4.956 4.550 0.003 0.000 0.329 387 Y C 0.645 176.489 175.900 -0.093 0.000 1.293 387 Y CA 0.223 58.257 58.100 -0.112 0.000 1.388 387 Y CB 0.508 38.841 38.460 -0.211 0.000 1.309 387 Y HN 0.333 nan 8.280 nan 0.000 0.544 388 H N 0.013 119.045 119.070 -0.063 0.000 3.112 388 H HA 0.417 4.974 4.556 0.002 0.000 0.347 388 H C -1.903 173.333 175.328 -0.153 0.000 1.188 388 H CA -0.796 55.168 56.048 -0.140 0.000 1.240 388 H CB 1.909 31.582 29.762 -0.147 0.000 1.920 388 H HN 0.813 nan 8.280 nan 0.000 0.535 389 C N 6.431 125.446 119.300 -0.474 0.000 2.752 389 C HA 0.429 4.890 4.460 0.002 0.000 0.360 389 C C 0.036 174.870 174.990 -0.260 0.000 1.081 389 C CA -0.388 58.460 59.018 -0.284 0.000 1.272 389 C CB 0.271 27.861 27.740 -0.249 0.000 1.754 389 C HN 0.945 nan 8.230 nan 0.000 0.483 390 M N 3.446 123.000 119.600 -0.078 0.000 2.416 390 M HA 0.246 4.727 4.480 0.002 0.000 0.337 390 M C 0.254 176.578 176.300 0.040 0.000 1.074 390 M CA 0.294 55.611 55.300 0.027 0.000 0.968 390 M CB 0.733 33.449 32.600 0.193 0.000 1.472 390 M HN 0.611 nan 8.290 nan 0.000 0.539 391 S N 1.699 117.435 115.700 0.059 0.000 2.733 391 S HA 0.774 5.245 4.470 0.002 0.000 0.294 391 S C -1.107 173.538 174.600 0.074 0.000 1.149 391 S CA -0.516 57.753 58.200 0.115 0.000 1.034 391 S CB 1.249 64.571 63.200 0.203 0.000 1.015 391 S HN 0.399 nan 8.310 nan 0.000 0.486 392 M N 4.725 124.338 119.600 0.022 0.000 2.414 392 M HA 0.669 5.150 4.480 0.002 0.000 0.287 392 M C -0.845 175.070 176.300 -0.642 0.000 1.181 392 M CA -0.096 55.087 55.300 -0.195 0.000 0.933 392 M CB 1.709 34.301 32.600 -0.013 0.000 1.732 392 M HN 0.859 nan 8.290 nan 0.000 0.486 393 G N 1.733 109.728 108.800 -1.342 0.000 2.489 393 G HA2 0.597 4.559 3.960 0.002 0.000 0.305 393 G HA3 0.597 4.559 3.960 0.002 0.000 0.305 393 G C -2.321 171.781 174.900 -1.331 0.000 1.311 393 G CA -0.566 43.514 45.100 -1.701 0.000 0.813 393 G HN 0.623 nan 8.290 nan 0.000 0.480 394 V N -0.452 118.952 119.914 -0.849 0.000 2.495 394 V HA 0.644 4.766 4.120 0.002 0.000 0.298 394 V C -0.557 175.566 176.094 0.049 0.000 1.031 394 V CA -0.644 61.413 62.300 -0.404 0.000 0.871 394 V CB 1.308 32.855 31.823 -0.462 0.000 0.988 394 V HN 1.029 nan 8.190 nan 0.000 0.432 395 C N 6.349 125.812 119.300 0.271 0.000 2.481 395 C HA 0.616 5.078 4.460 0.002 0.000 0.324 395 C C 0.627 175.921 174.990 0.507 0.000 1.170 395 C CA -0.775 58.496 59.018 0.421 0.000 1.361 395 C CB 0.488 28.529 27.740 0.501 0.000 1.977 395 C HN 1.030 nan 8.230 nan 0.000 0.459 396 R N 4.464 125.161 120.500 0.328 0.000 3.158 396 R HA -0.217 4.124 4.340 0.002 0.000 0.244 396 R C 0.560 176.997 176.300 0.228 0.000 0.900 396 R CA 1.556 57.779 56.100 0.204 0.000 0.618 396 R CB -1.771 28.506 30.300 -0.038 0.000 1.061 396 R HN 1.125 nan 8.270 nan 0.000 0.471 397 N N -1.489 117.327 118.700 0.193 0.000 2.800 397 N HA -0.223 4.519 4.740 0.002 0.000 0.250 397 N C -0.740 174.748 175.510 -0.036 0.000 1.078 397 N CA 1.537 54.654 53.050 0.111 0.000 0.804 397 N CB -0.428 38.146 38.487 0.145 0.000 1.135 397 N HN 0.591 nan 8.380 nan 0.000 0.565 398 R N 0.254 120.754 120.500 0.000 0.000 2.686 398 R HA 0.502 4.843 4.340 0.002 0.000 0.286 398 R C -0.912 175.243 176.300 -0.241 0.000 0.969 398 R CA -1.013 54.982 56.100 -0.176 0.000 0.898 398 R CB 1.790 31.917 30.300 -0.288 0.000 1.183 398 R HN 0.015 nan 8.270 nan 0.000 0.456 399 L N 2.925 123.948 121.223 -0.333 0.000 2.360 399 L HA 0.363 4.704 4.340 0.002 0.000 0.276 399 L C -1.315 175.369 176.870 -0.309 0.000 1.121 399 L CA 0.572 55.224 54.840 -0.313 0.000 0.845 399 L CB 0.172 42.158 42.059 -0.121 0.000 1.143 399 L HN 0.414 nan 8.230 nan 0.000 0.452 400 F N 4.279 124.055 119.950 -0.289 0.000 2.495 400 F HA 0.783 5.312 4.527 0.002 0.000 0.327 400 F C 0.197 175.867 175.800 -0.217 0.000 1.103 400 F CA -0.365 57.515 58.000 -0.200 0.000 0.949 400 F CB 1.985 40.795 39.000 -0.315 0.000 1.142 400 F HN 0.600 nan 8.300 nan 0.000 0.457 401 A N 3.265 126.138 122.820 0.089 0.000 2.488 401 A HA 0.700 5.022 4.320 0.002 0.000 0.298 401 A C -1.408 176.147 177.584 -0.049 0.000 1.044 401 A CA -0.734 51.293 52.037 -0.017 0.000 0.693 401 A CB 1.455 20.408 19.000 -0.079 0.000 1.272 401 A HN 0.701 nan 8.150 nan 0.000 0.402 402 M N 3.841 123.413 119.600 -0.046 0.000 2.319 402 M HA 0.362 4.843 4.480 0.002 0.000 0.343 402 M C -1.063 175.120 176.300 -0.196 0.000 1.364 402 M CA -0.569 54.691 55.300 -0.066 0.000 1.292 402 M CB -0.476 32.150 32.600 0.044 0.000 1.432 402 M HN 0.460 nan 8.290 nan 0.000 0.448 403 I N 4.889 125.215 120.570 -0.406 0.000 2.291 403 I HA 0.206 4.378 4.170 0.002 0.000 0.292 403 I C 0.171 176.115 176.117 -0.287 0.000 1.064 403 I CA -0.052 60.879 61.300 -0.616 0.000 1.269 403 I CB -0.068 36.962 38.000 -1.617 0.000 1.418 403 I HN 0.644 nan 8.210 nan 0.000 0.485 404 E N 4.224 124.356 120.200 -0.113 0.000 2.277 404 E HA 0.418 4.770 4.350 0.002 0.000 0.274 404 E C -0.409 176.227 176.600 0.059 0.000 1.022 404 E CA -0.533 55.869 56.400 0.003 0.000 0.853 404 E CB 1.358 31.088 29.700 0.049 0.000 1.086 404 E HN 0.407 nan 8.360 nan 0.000 0.397 405 T N 3.108 117.680 114.554 0.030 0.000 2.771 405 T HA 0.444 4.795 4.350 0.002 0.000 0.281 405 T C -0.254 174.373 174.700 -0.122 0.000 0.982 405 T CA -0.742 61.331 62.100 -0.044 0.000 0.978 405 T CB 0.641 69.483 68.868 -0.044 0.000 0.930 405 T HN 0.291 nan 8.240 nan 0.000 0.447 406 R N 0.987 121.382 120.500 -0.175 0.000 2.837 406 R HA 0.630 4.972 4.340 0.002 0.000 0.271 406 R C -0.130 176.046 176.300 -0.207 0.000 0.993 406 R CA -1.087 54.898 56.100 -0.191 0.000 0.931 406 R CB 1.328 31.486 30.300 -0.235 0.000 1.206 406 R HN 0.700 nan 8.270 nan 0.000 0.474 407 T N -0.726 113.719 114.554 -0.182 0.000 2.907 407 T HA 0.163 4.515 4.350 0.002 0.000 0.298 407 T C 1.170 175.768 174.700 -0.170 0.000 1.017 407 T CA -0.609 61.385 62.100 -0.176 0.000 1.118 407 T CB 0.728 69.512 68.868 -0.140 0.000 0.948 407 T HN 0.343 nan 8.240 nan 0.000 0.531 408 L N 2.678 123.790 121.223 -0.185 0.000 2.109 408 L HA 0.127 4.468 4.340 0.002 0.000 0.207 408 L C 2.922 179.716 176.870 -0.127 0.000 1.086 408 L CA 1.933 56.672 54.840 -0.169 0.000 0.760 408 L CB -1.168 40.755 42.059 -0.226 0.000 0.910 408 L HN 0.979 nan 8.230 nan 0.000 0.437 409 A N -0.886 121.863 122.820 -0.120 0.000 1.908 409 A HA -0.156 4.165 4.320 0.002 0.000 0.218 409 A C 1.970 179.512 177.584 -0.071 0.000 1.181 409 A CA 1.707 53.692 52.037 -0.087 0.000 0.627 409 A CB -0.118 18.834 19.000 -0.080 0.000 0.818 409 A HN 0.280 nan 8.150 nan 0.000 0.445 410 K N -2.357 117.994 120.400 -0.081 0.000 2.517 410 K HA 0.122 4.443 4.320 0.002 0.000 0.210 410 K C -0.009 176.540 176.600 -0.085 0.000 1.166 410 K CA 0.244 56.490 56.287 -0.068 0.000 1.030 410 K CB 0.384 32.849 32.500 -0.057 0.000 0.974 410 K HN 0.384 nan 8.250 nan 0.000 0.585 411 N N 1.388 120.019 118.700 -0.115 0.000 2.725 411 N HA -0.187 4.554 4.740 0.002 0.000 0.249 411 N C -0.749 174.667 175.510 -0.156 0.000 1.103 411 N CA 0.845 53.802 53.050 -0.155 0.000 0.707 411 N CB -1.032 37.360 38.487 -0.159 0.000 1.043 411 N HN 0.371 nan 8.380 nan 0.000 0.553 412 A N 0.188 122.931 122.820 -0.128 0.000 2.366 412 A HA 0.478 4.800 4.320 0.002 0.000 0.272 412 A C 0.412 177.922 177.584 -0.123 0.000 1.135 412 A CA -0.461 51.511 52.037 -0.109 0.000 0.804 412 A CB 0.483 19.433 19.000 -0.083 0.000 1.064 412 A HN 0.409 nan 8.150 nan 0.000 0.499 413 L N 3.527 124.683 121.223 -0.111 0.000 2.462 413 L HA 0.319 4.661 4.340 0.002 0.000 0.272 413 L C 1.414 178.240 176.870 -0.074 0.000 1.166 413 L CA 1.693 56.474 54.840 -0.099 0.000 0.880 413 L CB 0.700 42.712 42.059 -0.078 0.000 1.142 413 L HN 0.852 nan 8.230 nan 0.000 0.473 414 T N 0.790 115.299 114.554 -0.075 0.000 2.955 414 T HA 0.268 4.619 4.350 0.002 0.000 0.251 414 T C 0.568 175.251 174.700 -0.028 0.000 1.002 414 T CA -0.128 61.937 62.100 -0.058 0.000 0.970 414 T CB -0.169 68.649 68.868 -0.083 0.000 1.091 414 T HN 0.606 nan 8.240 nan 0.000 0.495 415 N N -0.662 118.029 118.700 -0.015 0.000 2.504 415 N HA 0.337 5.079 4.740 0.002 0.000 0.268 415 N C -2.031 173.492 175.510 0.021 0.000 1.184 415 N CA -0.459 52.603 53.050 0.019 0.000 0.875 415 N CB 2.099 40.620 38.487 0.057 0.000 1.630 415 N HN 0.194 nan 8.380 nan 0.000 0.486 416 C N 1.841 121.155 119.300 0.024 0.000 2.369 416 C HA 0.905 5.367 4.460 0.002 0.000 0.322 416 C C 0.038 175.058 174.990 0.051 0.000 1.258 416 C CA -0.399 58.627 59.018 0.014 0.000 1.487 416 C CB 0.084 27.808 27.740 -0.027 0.000 2.165 416 C HN 0.698 nan 8.230 nan 0.000 0.483 417 A N 2.918 125.770 122.820 0.053 0.000 2.374 417 A HA 0.746 5.068 4.320 0.002 0.000 0.305 417 A C -1.138 176.525 177.584 0.131 0.000 1.053 417 A CA -0.453 51.671 52.037 0.145 0.000 0.726 417 A CB 0.839 20.025 19.000 0.310 0.000 1.229 417 A HN 0.859 nan 8.150 nan 0.000 0.431 418 L N 2.685 124.025 121.223 0.195 0.000 2.313 418 L HA 0.606 4.948 4.340 0.002 0.000 0.282 418 L C -1.349 175.746 176.870 0.375 0.000 1.092 418 L CA 0.115 55.080 54.840 0.209 0.000 0.831 418 L CB -0.063 42.105 42.059 0.181 0.000 1.159 418 L HN 0.637 nan 8.230 nan 0.000 0.442 419 W N 3.943 125.206 121.300 -0.061 0.000 2.573 419 W HA 0.526 5.187 4.660 0.002 0.000 0.326 419 W C -0.631 175.913 176.519 0.043 0.000 1.049 419 W CA -1.218 56.074 57.345 -0.088 0.000 1.220 419 W CB 1.411 30.587 29.460 -0.473 0.000 1.373 419 W HN 0.662 nan 8.180 nan 0.000 0.507 420 D N 0.587 121.151 120.400 0.274 0.000 2.661 420 D HA 0.767 5.409 4.640 0.002 0.000 0.228 420 D C -1.206 175.009 176.300 -0.141 0.000 1.183 420 D CA -1.040 52.894 54.000 -0.110 0.000 0.844 420 D CB 2.173 42.444 40.800 -0.882 0.000 1.555 420 D HN 0.310 nan 8.370 nan 0.000 0.453 421 R N 0.421 120.687 120.500 -0.391 0.000 2.594 421 R HA 0.440 4.781 4.340 0.002 0.000 0.265 421 R C -2.879 173.172 176.300 -0.415 0.000 1.070 421 R CA -1.987 53.766 56.100 -0.579 0.000 0.909 421 R CB 2.163 31.706 30.300 -1.261 0.000 1.243 421 R HN 0.399 nan 8.270 nan 0.000 0.455 422 P HA 0.061 nan 4.420 nan 0.000 0.271 422 P C -0.609 176.635 177.300 -0.093 0.000 1.216 422 P CA -0.087 62.878 63.100 -0.224 0.000 0.776 422 P CB 0.685 32.267 31.700 -0.197 0.000 0.881 423 M N 1.414 120.937 119.600 -0.127 0.000 2.235 423 M HA 0.144 4.626 4.480 0.002 0.000 0.351 423 M C 0.658 176.967 176.300 0.016 0.000 1.178 423 M CA 0.096 55.310 55.300 -0.144 0.000 1.143 423 M CB 0.058 32.285 32.600 -0.622 0.000 1.530 423 M HN 0.271 nan 8.290 nan 0.000 0.461 424 S N 3.983 119.732 115.700 0.081 0.000 2.531 424 S HA 0.414 4.885 4.470 0.002 0.000 0.279 424 S C 0.045 174.747 174.600 0.169 0.000 1.305 424 S CA -0.384 57.890 58.200 0.122 0.000 1.058 424 S CB 0.458 63.741 63.200 0.137 0.000 0.899 424 S HN 0.460 nan 8.310 nan 0.000 0.493 425 R N 1.444 122.017 120.500 0.122 0.000 2.668 425 R HA 0.450 4.792 4.340 0.002 0.000 0.272 425 R C -1.299 175.008 176.300 0.012 0.000 1.019 425 R CA -0.628 55.527 56.100 0.092 0.000 0.894 425 R CB 1.992 32.350 30.300 0.097 0.000 1.228 425 R HN 0.479 nan 8.270 nan 0.000 0.460 426 S N 2.677 118.351 115.700 -0.044 0.000 2.437 426 S HA 0.514 4.985 4.470 0.002 0.000 0.305 426 S C -0.376 174.011 174.600 -0.355 0.000 1.109 426 S CA -0.728 57.373 58.200 -0.165 0.000 1.099 426 S CB 0.818 63.946 63.200 -0.119 0.000 1.004 426 S HN 0.278 nan 8.310 nan 0.000 0.475 427 L N 4.283 125.243 121.223 -0.438 0.000 2.346 427 L HA 0.521 4.863 4.340 0.002 0.000 0.276 427 L C -0.584 175.897 176.870 -0.649 0.000 1.006 427 L CA -0.751 53.810 54.840 -0.464 0.000 0.817 427 L CB 1.222 43.111 42.059 -0.283 0.000 1.272 427 L HN 0.609 nan 8.230 nan 0.000 0.421 428 H N 5.174 124.142 119.070 -0.170 0.000 2.792 428 H HA 0.540 5.098 4.556 0.003 0.000 0.298 428 H C -0.692 174.428 175.328 -0.347 0.000 1.042 428 H CA -0.339 55.575 56.048 -0.224 0.000 1.300 428 H CB 1.589 31.327 29.762 -0.039 0.000 1.431 428 H HN 0.390 nan 8.280 nan 0.000 0.496 429 L N 1.414 122.297 121.223 -0.567 0.000 2.279 429 L HA 0.556 4.897 4.340 0.002 0.000 0.262 429 L C 0.186 176.815 176.870 -0.401 0.000 1.019 429 L CA -0.823 53.689 54.840 -0.546 0.000 0.823 429 L CB 2.261 43.846 42.059 -0.790 0.000 1.358 429 L HN 0.352 nan 8.230 nan 0.000 0.432 430 T N 0.632 115.143 114.554 -0.072 0.000 2.840 430 T HA 0.636 4.987 4.350 0.002 0.000 0.287 430 T C 0.059 174.923 174.700 0.273 0.000 0.991 430 T CA 0.036 62.210 62.100 0.123 0.000 0.964 430 T CB 1.502 70.410 68.868 0.067 0.000 0.954 430 T HN 1.069 nan 8.240 nan 0.000 0.438 431 G N 1.806 110.842 108.800 0.395 0.000 2.750 431 G HA2 0.256 4.217 3.960 0.002 0.000 0.228 431 G HA3 0.256 4.217 3.960 0.002 0.000 0.228 431 G C 0.699 175.827 174.900 0.380 0.000 1.367 431 G CA 0.259 45.527 45.100 0.280 0.000 0.871 431 G HN 1.961 nan 8.290 nan 0.000 0.560 432 G N -2.096 106.812 108.800 0.180 0.000 2.179 432 G HA2 -0.071 3.891 3.960 0.002 0.000 0.220 432 G HA3 -0.071 3.891 3.960 0.002 0.000 0.220 432 G C 0.325 175.245 174.900 0.033 0.000 0.990 432 G CA 0.611 45.825 45.100 0.191 0.000 0.646 432 G HN 1.568 nan 8.290 nan 0.000 0.517 433 I N 2.486 122.967 120.570 -0.148 0.000 2.354 433 I HA 0.541 4.712 4.170 0.002 0.000 0.292 433 I C 0.438 176.437 176.117 -0.197 0.000 0.989 433 I CA -0.298 60.834 61.300 -0.280 0.000 1.188 433 I CB 1.868 39.535 38.000 -0.555 0.000 1.342 433 I HN 0.227 nan 8.210 nan 0.000 0.457 434 T N 2.475 116.932 114.554 -0.162 0.000 2.893 434 T HA 0.553 4.905 4.350 0.002 0.000 0.291 434 T C -0.684 173.944 174.700 -0.120 0.000 1.028 434 T CA -0.988 61.040 62.100 -0.121 0.000 0.995 434 T CB 2.560 71.380 68.868 -0.080 0.000 1.051 434 T HN 0.601 nan 8.240 nan 0.000 0.470 435 K N 1.417 121.758 120.400 -0.098 0.000 2.668 435 K HA 0.601 4.922 4.320 0.002 0.000 0.246 435 K C -0.435 176.133 176.600 -0.054 0.000 0.976 435 K CA -0.690 55.549 56.287 -0.081 0.000 0.902 435 K CB 1.489 33.926 32.500 -0.106 0.000 1.172 435 K HN 0.973 nan 8.250 nan 0.000 0.452 436 A N 2.820 125.621 122.820 -0.031 0.000 2.498 436 A HA 0.460 4.781 4.320 0.002 0.000 0.239 436 A C 0.315 177.888 177.584 -0.019 0.000 1.068 436 A CA 0.183 52.208 52.037 -0.021 0.000 0.766 436 A CB 0.272 19.267 19.000 -0.009 0.000 1.003 436 A HN 0.851 nan 8.150 nan 0.000 0.497 437 A N 2.677 125.484 122.820 -0.020 0.000 2.520 437 A HA 0.388 4.709 4.320 0.002 0.000 0.235 437 A C 0.981 178.557 177.584 -0.012 0.000 1.065 437 A CA 0.380 52.405 52.037 -0.020 0.000 0.764 437 A CB -0.271 18.718 19.000 -0.019 0.000 1.002 437 A HN 1.368 nan 8.150 nan 0.000 0.502 438 N N -1.250 117.441 118.700 -0.015 0.000 2.782 438 N HA -0.193 4.548 4.740 0.002 0.000 0.251 438 N C -0.272 175.236 175.510 -0.002 0.000 1.101 438 N CA 1.830 54.874 53.050 -0.011 0.000 0.764 438 N CB -1.539 36.944 38.487 -0.007 0.000 1.122 438 N HN 1.035 nan 8.380 nan 0.000 0.561 439 Q N -2.099 117.700 119.800 -0.001 0.000 2.534 439 Q HA 0.572 4.913 4.340 0.002 0.000 0.290 439 Q C 0.118 176.112 176.000 -0.011 0.000 0.991 439 Q CA -0.859 54.954 55.803 0.018 0.000 0.783 439 Q CB 0.744 29.523 28.738 0.067 0.000 1.470 439 Q HN -0.041 nan 8.270 nan 0.000 0.406 440 R N -0.449 120.018 120.500 -0.054 0.000 2.280 440 R HA 0.247 4.588 4.340 0.002 0.000 0.195 440 R C -0.321 175.818 176.300 -0.268 0.000 0.935 440 R CA 0.251 56.230 56.100 -0.202 0.000 1.033 440 R CB 0.324 30.433 30.300 -0.319 0.000 0.964 440 R HN 0.535 nan 8.270 nan 0.000 0.489 441 Y N 0.008 120.276 120.300 -0.053 0.000 2.320 441 Y HA 0.465 5.018 4.550 0.004 0.000 0.324 441 Y C 0.303 176.149 175.900 -0.089 0.000 1.190 441 Y CA -0.881 57.183 58.100 -0.061 0.000 1.215 441 Y CB 1.366 39.804 38.460 -0.038 0.000 1.221 441 Y HN -0.067 nan 8.280 nan 0.000 0.486 442 A N 1.398 124.236 122.820 0.029 0.000 2.365 442 A HA 0.731 5.053 4.320 0.002 0.000 0.318 442 A C -0.779 176.746 177.584 -0.098 0.000 1.091 442 A CA -0.732 51.253 52.037 -0.087 0.000 0.763 442 A CB 0.894 19.770 19.000 -0.207 0.000 1.248 442 A HN 0.646 nan 8.150 nan 0.000 0.442 443 T N 3.364 117.843 114.554 -0.125 0.000 2.767 443 T HA 0.494 4.846 4.350 0.002 0.000 0.284 443 T C -0.247 174.317 174.700 -0.226 0.000 0.973 443 T CA -0.128 61.887 62.100 -0.142 0.000 0.996 443 T CB 0.315 69.138 68.868 -0.075 0.000 0.927 443 T HN 0.398 nan 8.240 nan 0.000 0.456 444 I N 3.780 124.121 120.570 -0.381 0.000 2.330 444 I HA 0.216 4.387 4.170 0.002 0.000 0.289 444 I C 0.425 176.374 176.117 -0.280 0.000 1.001 444 I CA -0.703 60.334 61.300 -0.438 0.000 1.193 444 I CB 0.796 38.309 38.000 -0.811 0.000 1.345 444 I HN 0.691 nan 8.210 nan 0.000 0.461 445 H N 6.848 125.873 119.070 -0.075 0.000 2.705 445 H HA 0.473 5.030 4.556 0.002 0.000 0.291 445 H C -1.473 173.958 175.328 0.173 0.000 1.085 445 H CA -0.206 55.872 56.048 0.051 0.000 1.357 445 H CB 1.144 30.946 29.762 0.068 0.000 1.419 445 H HN 0.344 nan 8.280 nan 0.000 0.462 446 V N 8.553 128.371 119.914 -0.160 0.000 2.501 446 V HA 0.178 4.299 4.120 0.002 0.000 0.277 446 V C -2.336 173.745 176.094 -0.021 0.000 1.004 446 V CA -1.569 60.733 62.300 0.004 0.000 0.862 446 V CB 1.477 33.465 31.823 0.275 0.000 1.035 446 V HN 0.761 nan 8.190 nan 0.000 0.448 447 P HA 0.118 nan 4.420 nan 0.000 0.265 447 P C 0.078 177.360 177.300 -0.030 0.000 1.193 447 P CA 0.509 63.550 63.100 -0.099 0.000 0.765 447 P CB 0.248 31.915 31.700 -0.055 0.000 0.823 448 D N 1.224 121.569 120.400 -0.093 0.000 2.697 448 D HA -0.205 4.437 4.640 0.002 0.000 0.235 448 D C 1.204 177.426 176.300 -0.130 0.000 1.167 448 D CA 0.782 54.685 54.000 -0.162 0.000 0.656 448 D CB -1.004 39.744 40.800 -0.086 0.000 1.025 448 D HN 0.714 nan 8.370 nan 0.000 0.419 449 H N -0.979 118.097 119.070 0.010 0.000 2.423 449 H HA 0.060 4.617 4.556 0.002 0.000 0.297 449 H C 1.780 177.095 175.328 -0.021 0.000 1.075 449 H CA 1.241 57.307 56.048 0.031 0.000 1.342 449 H CB -0.050 29.789 29.762 0.127 0.000 1.395 449 H HN 0.377 nan 8.280 nan 0.000 0.530 450 G N 1.281 109.981 108.800 -0.167 0.000 2.168 450 G HA2 -0.284 3.678 3.960 0.002 0.000 0.257 450 G HA3 -0.284 3.678 3.960 0.002 0.000 0.257 450 G C 0.030 174.881 174.900 -0.082 0.000 0.997 450 G CA 0.560 45.643 45.100 -0.028 0.000 0.708 450 G HN 0.394 nan 8.290 nan 0.000 0.520 451 L N -0.713 120.603 121.223 0.155 0.000 2.360 451 L HA 0.822 5.164 4.340 0.002 0.000 0.271 451 L C 0.294 177.113 176.870 -0.085 0.000 1.057 451 L CA -1.213 53.557 54.840 -0.117 0.000 0.803 451 L CB 0.894 42.806 42.059 -0.246 0.000 1.207 451 L HN -0.042 nan 8.230 nan 0.000 0.445 452 F N -0.130 119.843 119.950 0.038 0.000 2.575 452 F HA 0.436 4.964 4.527 0.002 0.000 0.330 452 F C 0.252 176.040 175.800 -0.021 0.000 1.056 452 F CA -1.323 56.699 58.000 0.035 0.000 0.964 452 F CB 1.195 40.207 39.000 0.019 0.000 1.258 452 F HN -0.060 nan 8.300 nan 0.000 0.484 453 V N 1.793 121.836 119.914 0.215 0.000 2.644 453 V HA 0.284 4.406 4.120 0.002 0.000 0.305 453 V C 0.985 177.127 176.094 0.079 0.000 1.053 453 V CA 1.741 64.105 62.300 0.107 0.000 1.186 453 V CB 0.027 31.901 31.823 0.084 0.000 0.895 453 V HN 1.082 nan 8.190 nan 0.000 0.490 454 G N 3.613 112.440 108.800 0.045 0.000 2.195 454 G HA2 -0.184 3.778 3.960 0.002 0.000 0.246 454 G HA3 -0.184 3.778 3.960 0.002 0.000 0.246 454 G C -0.037 174.872 174.900 0.014 0.000 0.984 454 G CA 0.067 45.185 45.100 0.029 0.000 0.633 454 G HN 0.672 nan 8.290 nan 0.000 0.525 455 D N -0.268 120.129 120.400 -0.006 0.000 2.344 455 D HA 0.488 5.130 4.640 0.002 0.000 0.244 455 D C 0.330 176.625 176.300 -0.007 0.000 1.134 455 D CA -0.388 53.595 54.000 -0.028 0.000 0.930 455 D CB 0.641 41.388 40.800 -0.089 0.000 1.175 455 D HN 0.132 nan 8.370 nan 0.000 0.437 456 F N 1.568 121.456 119.950 -0.103 0.000 2.443 456 F HA 0.317 4.845 4.527 0.002 0.000 0.353 456 F C -0.158 175.586 175.800 -0.093 0.000 1.101 456 F CA -0.280 57.677 58.000 -0.071 0.000 1.226 456 F CB 0.543 39.506 39.000 -0.061 0.000 1.140 456 F HN 0.042 nan 8.300 nan 0.000 0.557 457 V N 4.294 123.777 119.914 -0.719 0.000 2.711 457 V HA 0.422 4.544 4.120 0.002 0.000 0.304 457 V C -1.290 174.335 176.094 -0.781 0.000 1.097 457 V CA -1.008 60.958 62.300 -0.557 0.000 0.906 457 V CB 1.337 32.988 31.823 -0.285 0.000 1.015 457 V HN 0.885 nan 8.190 nan 0.000 0.427 458 N N 3.236 121.588 118.700 -0.581 0.000 2.362 458 N HA 0.643 5.385 4.740 0.002 0.000 0.298 458 N C -1.938 173.354 175.510 -0.363 0.000 1.048 458 N CA -0.323 52.539 53.050 -0.314 0.000 0.858 458 N CB 2.033 40.556 38.487 0.061 0.000 1.218 458 N HN 0.635 nan 8.380 nan 0.000 0.488 459 F N 0.550 120.562 119.950 0.103 0.000 2.532 459 F HA 0.419 4.947 4.527 0.002 0.000 0.321 459 F C 0.578 176.491 175.800 0.187 0.000 1.089 459 F CA -0.629 57.485 58.000 0.190 0.000 0.926 459 F CB 2.172 41.238 39.000 0.110 0.000 1.168 459 F HN 0.252 nan 8.300 nan 0.000 0.459 460 S N 1.991 117.957 115.700 0.444 0.000 2.541 460 S HA 0.381 4.852 4.470 0.002 0.000 0.280 460 S C -0.452 174.400 174.600 0.420 0.000 1.112 460 S CA -0.713 57.703 58.200 0.360 0.000 0.925 460 S CB 0.628 64.010 63.200 0.303 0.000 1.067 460 S HN 0.769 nan 8.310 nan 0.000 0.479 461 N N 1.766 120.639 118.700 0.289 0.000 2.735 461 N HA -0.175 4.567 4.740 0.002 0.000 0.248 461 N C 1.032 176.668 175.510 0.210 0.000 1.083 461 N CA 1.029 54.224 53.050 0.241 0.000 0.703 461 N CB -1.586 37.080 38.487 0.298 0.000 1.005 461 N HN 0.758 nan 8.380 nan 0.000 0.550 462 S N -0.466 115.307 115.700 0.122 0.000 2.423 462 S HA 0.132 4.603 4.470 0.002 0.000 0.231 462 S C 1.464 175.973 174.600 -0.152 0.000 1.014 462 S CA 1.271 59.411 58.200 -0.099 0.000 0.965 462 S CB -0.031 63.016 63.200 -0.255 0.000 0.785 462 S HN 1.260 nan 8.310 nan 0.000 0.495 463 A N -0.660 122.123 122.820 -0.062 0.000 2.816 463 A HA -0.105 4.216 4.320 0.002 0.000 0.270 463 A C 0.298 177.817 177.584 -0.109 0.000 1.413 463 A CA 0.885 52.887 52.037 -0.059 0.000 0.866 463 A CB -2.355 16.625 19.000 -0.033 0.000 1.032 463 A HN 1.052 nan 8.150 nan 0.000 0.642 464 V N 1.569 121.389 119.914 -0.157 0.000 2.340 464 V HA 0.318 4.440 4.120 0.002 0.000 0.277 464 V C 0.646 176.642 176.094 -0.162 0.000 1.017 464 V CA 0.049 62.240 62.300 -0.181 0.000 0.820 464 V CB 1.227 32.891 31.823 -0.264 0.000 1.028 464 V HN 0.509 nan 8.190 nan 0.000 0.436 465 T N 3.595 118.080 114.554 -0.116 0.000 2.849 465 T HA 0.325 4.677 4.350 0.002 0.000 0.289 465 T C 1.399 176.028 174.700 -0.118 0.000 1.010 465 T CA 1.437 63.479 62.100 -0.096 0.000 1.161 465 T CB 0.444 69.268 68.868 -0.072 0.000 0.989 465 T HN 1.396 nan 8.240 nan 0.000 0.523 466 G N 2.161 110.896 108.800 -0.108 0.000 2.258 466 G HA2 -0.259 3.703 3.960 0.002 0.000 0.233 466 G HA3 -0.259 3.703 3.960 0.002 0.000 0.233 466 G C 0.253 175.058 174.900 -0.160 0.000 1.006 466 G CA -0.166 44.864 45.100 -0.118 0.000 0.620 466 G HN 0.807 nan 8.290 nan 0.000 0.511 467 V N 1.840 121.616 119.914 -0.229 0.000 2.313 467 V HA 0.672 4.794 4.120 0.002 0.000 0.252 467 V C 0.390 176.356 176.094 -0.213 0.000 1.112 467 V CA 0.668 62.736 62.300 -0.387 0.000 0.984 467 V CB 0.702 32.161 31.823 -0.607 0.000 1.157 467 V HN 0.835 nan 8.190 nan 0.000 0.493 468 S N 3.472 119.139 115.700 -0.054 0.000 2.570 468 S HA 0.682 5.154 4.470 0.002 0.000 0.286 468 S C -0.119 174.559 174.600 0.130 0.000 1.143 468 S CA 0.592 58.840 58.200 0.081 0.000 0.921 468 S CB 1.239 64.454 63.200 0.025 0.000 1.108 468 S HN 1.863 nan 8.310 nan 0.000 0.456 469 G N 3.902 112.807 108.800 0.175 0.000 2.642 469 G HA2 -0.137 3.824 3.960 0.002 0.000 0.231 469 G HA3 -0.137 3.824 3.960 0.002 0.000 0.231 469 G C -1.330 173.630 174.900 0.099 0.000 1.338 469 G CA -0.013 45.163 45.100 0.126 0.000 0.883 469 G HN 0.801 nan 8.290 nan 0.000 0.570 470 D N 1.375 121.806 120.400 0.052 0.000 2.343 470 D HA 0.590 5.231 4.640 0.002 0.000 0.255 470 D C 0.935 177.176 176.300 -0.098 0.000 1.187 470 D CA 0.739 54.697 54.000 -0.069 0.000 0.875 470 D CB 0.698 41.563 40.800 0.107 0.000 1.136 470 D HN 0.524 nan 8.370 nan 0.000 0.469 471 M N 0.529 119.992 119.600 -0.229 0.000 2.744 471 M HA 0.445 4.926 4.480 0.002 0.000 0.283 471 M C -0.111 176.089 176.300 -0.168 0.000 1.275 471 M CA -0.857 54.396 55.300 -0.079 0.000 0.796 471 M CB 2.471 35.147 32.600 0.127 0.000 1.739 471 M HN 0.274 nan 8.290 nan 0.000 0.454 472 T N -1.642 112.893 114.554 -0.032 0.000 2.896 472 T HA 0.662 5.013 4.350 0.002 0.000 0.297 472 T C -0.666 174.061 174.700 0.045 0.000 1.108 472 T CA -0.864 61.222 62.100 -0.024 0.000 1.004 472 T CB 1.357 70.228 68.868 0.005 0.000 1.159 472 T HN 0.364 nan 8.240 nan 0.000 0.499 473 V N 2.383 122.299 119.914 0.003 0.000 2.521 473 V HA 0.460 4.581 4.120 0.002 0.000 0.286 473 V C 1.462 177.614 176.094 0.097 0.000 1.034 473 V CA 0.422 62.745 62.300 0.039 0.000 1.045 473 V CB 0.229 31.975 31.823 -0.128 0.000 0.974 473 V HN 1.213 nan 8.190 nan 0.000 0.480 474 A N 4.320 127.237 122.820 0.163 0.000 1.956 474 A HA 0.299 4.620 4.320 0.002 0.000 0.212 474 A C 1.086 178.741 177.584 0.117 0.000 1.188 474 A CA 1.080 53.212 52.037 0.157 0.000 0.675 474 A CB 0.189 19.343 19.000 0.257 0.000 0.845 474 A HN 0.898 nan 8.150 nan 0.000 0.455 475 T N -3.717 110.915 114.554 0.131 0.000 2.868 475 T HA 0.558 4.909 4.350 0.002 0.000 0.306 475 T C -1.372 173.428 174.700 0.167 0.000 1.224 475 T CA -0.580 61.583 62.100 0.106 0.000 1.012 475 T CB 1.583 70.476 68.868 0.042 0.000 1.221 475 T HN 0.239 nan 8.240 nan 0.000 0.499 476 V N 3.706 123.722 119.914 0.170 0.000 2.357 476 V HA 0.403 4.525 4.120 0.002 0.000 0.284 476 V C 1.102 177.311 176.094 0.191 0.000 1.018 476 V CA -0.699 61.743 62.300 0.236 0.000 0.841 476 V CB 0.842 32.850 31.823 0.309 0.000 0.991 476 V HN 0.946 nan 8.190 nan 0.000 0.437 477 I N 2.966 123.651 120.570 0.192 0.000 2.277 477 I HA 0.039 4.210 4.170 0.002 0.000 0.243 477 I C 0.778 176.986 176.117 0.151 0.000 1.094 477 I CA 1.175 62.558 61.300 0.138 0.000 1.393 477 I CB 0.178 38.245 38.000 0.112 0.000 1.078 477 I HN 0.873 nan 8.210 nan 0.000 0.417 478 D N -1.430 119.093 120.400 0.206 0.000 2.851 478 D HA 0.048 4.689 4.640 0.002 0.000 0.339 478 D C 0.397 176.822 176.300 0.208 0.000 1.347 478 D CA -0.728 53.376 54.000 0.173 0.000 0.888 478 D CB 0.249 41.122 40.800 0.123 0.000 1.431 478 D HN -0.016 nan 8.370 nan 0.000 0.509 479 K N -0.916 119.526 120.400 0.071 0.000 2.360 479 K HA -0.089 4.232 4.320 0.002 0.000 0.201 479 K C -0.208 176.281 176.600 -0.185 0.000 1.046 479 K CA 1.448 57.662 56.287 -0.122 0.000 0.945 479 K CB -0.218 32.192 32.500 -0.150 0.000 0.750 479 K HN 0.277 nan 8.250 nan 0.000 0.464 480 D N -0.197 120.262 120.400 0.097 0.000 2.469 480 D HA 0.116 4.758 4.640 0.002 0.000 0.213 480 D C -0.703 175.752 176.300 0.259 0.000 1.135 480 D CA -0.008 54.073 54.000 0.135 0.000 0.834 480 D CB 0.400 41.247 40.800 0.078 0.000 1.009 480 D HN 0.242 nan 8.370 nan 0.000 0.507 481 N N 0.102 119.031 118.700 0.383 0.000 2.287 481 N HA 0.497 5.238 4.740 0.002 0.000 0.289 481 N C -1.154 174.501 175.510 0.242 0.000 1.066 481 N CA -0.797 52.390 53.050 0.228 0.000 0.841 481 N CB 2.144 40.742 38.487 0.186 0.000 1.599 481 N HN -0.081 nan 8.380 nan 0.000 0.476 482 F N -1.699 118.253 119.950 0.002 0.000 2.643 482 F HA 0.842 5.370 4.527 0.002 0.000 0.314 482 F C -0.559 175.245 175.800 0.007 0.000 1.096 482 F CA -0.974 57.003 58.000 -0.039 0.000 0.953 482 F CB 1.299 40.162 39.000 -0.228 0.000 1.345 482 F HN 0.352 nan 8.300 nan 0.000 0.468 483 T N 0.007 114.684 114.554 0.205 0.000 2.932 483 T HA 0.800 5.152 4.350 0.002 0.000 0.289 483 T C -0.811 174.048 174.700 0.266 0.000 1.039 483 T CA -0.375 61.804 62.100 0.133 0.000 1.024 483 T CB 1.562 70.489 68.868 0.098 0.000 1.090 483 T HN 1.570 nan 8.240 nan 0.000 0.496 484 V N 0.156 120.180 119.914 0.183 0.000 2.914 484 V HA 0.805 4.926 4.120 0.002 0.000 0.314 484 V C -0.715 175.446 176.094 0.112 0.000 1.084 484 V CA -1.356 61.044 62.300 0.167 0.000 0.963 484 V CB 1.482 33.363 31.823 0.097 0.000 1.025 484 V HN 0.965 nan 8.190 nan 0.000 0.432 485 L N 4.427 125.666 121.223 0.026 0.000 2.283 485 L HA 0.628 4.970 4.340 0.002 0.000 0.287 485 L C 0.711 177.450 176.870 -0.219 0.000 1.073 485 L CA 0.757 55.431 54.840 -0.276 0.000 0.822 485 L CB 0.728 42.630 42.059 -0.261 0.000 1.186 485 L HN 1.177 nan 8.230 nan 0.000 0.436 486 T N 2.883 117.282 114.554 -0.259 0.000 2.874 486 T HA 0.498 4.850 4.350 0.002 0.000 0.281 486 T C -1.940 172.650 174.700 -0.182 0.000 0.994 486 T CA -1.502 60.483 62.100 -0.191 0.000 1.015 486 T CB 1.205 69.965 68.868 -0.180 0.000 1.028 486 T HN 0.570 nan 8.240 nan 0.000 0.523 487 P HA 0.165 nan 4.420 nan 0.000 0.255 487 P C -0.562 176.682 177.300 -0.092 0.000 1.248 487 P CA 0.023 63.062 63.100 -0.101 0.000 0.807 487 P CB -0.366 31.293 31.700 -0.068 0.000 1.150 488 N N -0.570 118.068 118.700 -0.103 0.000 2.934 488 N HA 0.379 5.120 4.740 0.002 0.000 0.253 488 N C -1.253 174.206 175.510 -0.085 0.000 1.466 488 N CA -0.879 52.122 53.050 -0.081 0.000 0.858 488 N CB 0.872 39.320 38.487 -0.065 0.000 1.459 488 N HN -0.127 nan 8.380 nan 0.000 0.532 489 Q N -1.135 118.626 119.800 -0.065 0.000 2.416 489 Q HA 0.669 5.011 4.340 0.002 0.000 0.281 489 Q C -1.511 174.462 176.000 -0.045 0.000 1.067 489 Q CA -0.959 54.810 55.803 -0.057 0.000 0.809 489 Q CB 2.068 30.778 28.738 -0.047 0.000 1.418 489 Q HN 0.568 nan 8.270 nan 0.000 0.411 490 Q N 0.162 119.936 119.800 -0.042 0.000 2.433 490 Q HA 0.382 4.724 4.340 0.002 0.000 0.279 490 Q C 0.091 176.073 176.000 -0.029 0.000 1.105 490 Q CA -0.274 55.507 55.803 -0.037 0.000 0.815 490 Q CB 2.272 30.984 28.738 -0.043 0.000 1.403 490 Q HN 0.882 nan 8.270 nan 0.000 0.435 491 T N -3.329 111.210 114.554 -0.025 0.000 3.100 491 T HA 0.171 4.523 4.350 0.002 0.000 0.253 491 T C 0.497 175.185 174.700 -0.020 0.000 1.118 491 T CA 0.425 62.513 62.100 -0.020 0.000 1.058 491 T CB -0.007 68.851 68.868 -0.017 0.000 0.953 491 T HN 0.449 nan 8.240 nan 0.000 0.515 492 S N 0.199 115.884 115.700 -0.024 0.000 2.634 492 S HA 0.602 5.073 4.470 0.002 0.000 0.296 492 S C -1.328 173.254 174.600 -0.030 0.000 1.104 492 S CA -1.064 57.122 58.200 -0.024 0.000 0.920 492 S CB 1.510 64.696 63.200 -0.023 0.000 1.111 492 S HN 0.072 nan 8.310 nan 0.000 0.493 493 D N 0.739 121.121 120.400 -0.029 0.000 2.399 493 D HA 0.436 5.078 4.640 0.002 0.000 0.241 493 D C -0.456 175.819 176.300 -0.043 0.000 1.133 493 D CA 0.270 54.249 54.000 -0.034 0.000 0.890 493 D CB 0.396 41.178 40.800 -0.030 0.000 1.201 493 D HN 0.447 nan 8.370 nan 0.000 0.432 494 L N 2.220 123.409 121.223 -0.056 0.000 2.354 494 L HA 0.480 4.822 4.340 0.002 0.000 0.269 494 L C -0.041 176.782 176.870 -0.078 0.000 1.005 494 L CA -0.822 53.978 54.840 -0.068 0.000 0.819 494 L CB 1.747 43.755 42.059 -0.084 0.000 1.311 494 L HN 0.226 nan 8.230 nan 0.000 0.423 495 N N 1.449 120.104 118.700 -0.076 0.000 2.578 495 N HA 0.085 4.826 4.740 0.002 0.000 0.282 495 N C -0.941 174.526 175.510 -0.070 0.000 1.119 495 N CA -0.455 52.550 53.050 -0.075 0.000 0.948 495 N CB 1.237 39.693 38.487 -0.051 0.000 1.546 495 N HN 0.657 nan 8.380 nan 0.000 0.525 496 N N 2.208 120.851 118.700 -0.095 0.000 2.346 496 N HA 0.117 4.858 4.740 0.002 0.000 0.225 496 N C -0.007 175.500 175.510 -0.005 0.000 1.144 496 N CA -0.301 52.704 53.050 -0.074 0.000 0.837 496 N CB -0.116 38.273 38.487 -0.162 0.000 1.069 496 N HN 0.503 nan 8.380 nan 0.000 0.487 497 A N -0.243 122.578 122.820 0.002 0.000 2.565 497 A HA 0.432 4.753 4.320 0.002 0.000 0.237 497 A C 1.609 179.217 177.584 0.040 0.000 1.053 497 A CA 0.542 52.596 52.037 0.029 0.000 0.755 497 A CB -0.818 18.188 19.000 0.011 0.000 0.980 497 A HN 1.004 nan 8.150 nan 0.000 0.506 498 G N 0.939 109.775 108.800 0.060 0.000 2.184 498 G HA2 -0.249 3.713 3.960 0.002 0.000 0.264 498 G HA3 -0.249 3.713 3.960 0.002 0.000 0.264 498 G C 0.443 175.386 174.900 0.071 0.000 0.975 498 G CA 0.804 45.938 45.100 0.056 0.000 0.642 498 G HN 0.898 nan 8.290 nan 0.000 0.536 499 K N 0.863 121.322 120.400 0.098 0.000 2.156 499 K HA 0.371 4.692 4.320 0.002 0.000 0.271 499 K C -0.561 176.160 176.600 0.202 0.000 0.995 499 K CA -0.706 55.651 56.287 0.117 0.000 0.890 499 K CB 0.408 32.961 32.500 0.088 0.000 1.073 499 K HN 0.120 nan 8.250 nan 0.000 0.454 500 N N 5.006 123.791 118.700 0.141 0.000 2.419 500 N HA 0.293 5.034 4.740 0.002 0.000 0.264 500 N C -0.514 175.041 175.510 0.075 0.000 1.031 500 N CA -0.253 52.841 53.050 0.072 0.000 0.951 500 N CB 0.684 39.171 38.487 -0.001 0.000 1.101 500 N HN 0.532 nan 8.380 nan 0.000 0.488 501 W N 1.486 122.648 121.300 -0.230 0.000 3.060 501 W HA 0.498 5.159 4.660 0.002 0.000 0.346 501 W C -1.070 175.163 176.519 -0.477 0.000 1.194 501 W CA -0.567 56.617 57.345 -0.268 0.000 1.105 501 W CB 0.627 30.076 29.460 -0.018 0.000 1.487 501 W HN 0.289 nan 8.180 nan 0.000 0.592 502 H N 0.948 120.185 119.070 0.277 0.000 2.806 502 H HA 0.592 5.150 4.556 0.003 0.000 0.367 502 H C -0.929 174.467 175.328 0.113 0.000 1.136 502 H CA -0.861 55.198 56.048 0.020 0.000 1.178 502 H CB 3.181 33.013 29.762 0.117 0.000 1.718 502 H HN 0.252 nan 8.280 nan 0.000 0.540 503 M N 0.359 119.936 119.600 -0.039 0.000 2.761 503 M HA 0.515 4.997 4.480 0.002 0.000 0.305 503 M C 0.090 176.331 176.300 -0.100 0.000 1.235 503 M CA -0.198 55.061 55.300 -0.068 0.000 0.850 503 M CB 2.411 34.970 32.600 -0.068 0.000 1.744 503 M HN 0.931 nan 8.290 nan 0.000 0.480 504 G N 0.229 108.991 108.800 -0.063 0.000 3.658 504 G HA2 -0.052 3.910 3.960 0.002 0.000 0.220 504 G HA3 -0.052 3.910 3.960 0.002 0.000 0.220 504 G C -0.211 174.711 174.900 0.038 0.000 0.917 504 G CA 0.195 45.237 45.100 -0.096 0.000 0.865 504 G HN 0.847 nan 8.290 nan 0.000 0.652 505 T N -1.598 113.009 114.554 0.089 0.000 2.948 505 T HA 0.758 5.109 4.350 0.002 0.000 0.285 505 T C -0.340 174.458 174.700 0.164 0.000 1.019 505 T CA -0.163 62.027 62.100 0.151 0.000 1.013 505 T CB 2.335 71.239 68.868 0.060 0.000 1.117 505 T HN 0.947 nan 8.240 nan 0.000 0.533 506 S N 0.204 115.978 115.700 0.123 0.000 2.689 506 S HA 0.352 4.824 4.470 0.002 0.000 0.274 506 S C 0.039 174.608 174.600 -0.052 0.000 1.176 506 S CA -0.846 57.331 58.200 -0.038 0.000 1.014 506 S CB 0.579 63.520 63.200 -0.432 0.000 1.071 506 S HN 0.726 nan 8.310 nan 0.000 0.478 507 F N 4.923 124.754 119.950 -0.198 0.000 2.069 507 F HA -0.118 4.410 4.527 0.002 0.000 0.298 507 F C 2.223 177.736 175.800 -0.479 0.000 1.113 507 F CA 2.024 59.791 58.000 -0.388 0.000 1.214 507 F CB -0.059 38.675 39.000 -0.443 0.000 0.978 507 F HN 0.818 nan 8.300 nan 0.000 0.474 508 H N -0.078 118.992 119.070 -0.000 0.000 2.423 508 H HA -0.017 4.541 4.556 0.003 0.000 0.297 508 H C 1.401 176.602 175.328 -0.212 0.000 1.075 508 H CA 1.233 57.220 56.048 -0.103 0.000 1.342 508 H CB -0.142 29.622 29.762 0.004 0.000 1.395 508 H HN 0.307 nan 8.280 nan 0.000 0.530 509 K N 1.231 121.525 120.400 -0.177 0.000 2.387 509 K HA 0.182 4.504 4.320 0.002 0.000 0.198 509 K C 0.183 176.717 176.600 -0.109 0.000 1.022 509 K CA 0.004 56.181 56.287 -0.184 0.000 1.128 509 K CB 0.817 33.085 32.500 -0.387 0.000 0.853 509 K HN -0.030 nan 8.250 nan 0.000 0.523 510 S N 2.580 118.159 115.700 -0.201 0.000 2.509 510 S HA 0.397 4.868 4.470 0.002 0.000 0.297 510 S C -2.425 171.969 174.600 -0.343 0.000 1.118 510 S CA -1.267 56.807 58.200 -0.210 0.000 1.074 510 S CB 1.889 64.955 63.200 -0.223 0.000 1.038 510 S HN 0.065 nan 8.310 nan 0.000 0.498 511 P HA 0.222 nan 4.420 nan 0.000 0.276 511 P C -0.998 176.101 177.300 -0.334 0.000 1.244 511 P CA -0.679 62.267 63.100 -0.256 0.000 0.801 511 P CB 0.459 32.083 31.700 -0.126 0.000 1.006 512 W N 1.157 122.250 121.300 -0.345 0.000 2.158 512 W HA 0.231 4.892 4.660 0.002 0.000 0.339 512 W C 1.455 177.784 176.519 -0.316 0.000 1.294 512 W CA -0.034 57.082 57.345 -0.381 0.000 1.231 512 W CB 0.209 29.336 29.460 -0.555 0.000 1.143 512 W HN 0.263 nan 8.180 nan 0.000 0.571 513 R N 3.240 123.746 120.500 0.011 0.000 2.254 513 R HA 0.281 4.622 4.340 0.002 0.000 0.318 513 R C -0.782 175.462 176.300 -0.094 0.000 1.031 513 R CA -0.487 55.593 56.100 -0.033 0.000 0.905 513 R CB 0.371 30.691 30.300 0.033 0.000 1.050 513 R HN 0.437 nan 8.270 nan 0.000 0.456 514 K N 3.067 123.350 120.400 -0.195 0.000 2.358 514 K HA 0.268 4.589 4.320 0.002 0.000 0.260 514 K C -1.168 175.400 176.600 -0.054 0.000 0.956 514 K CA -0.644 55.489 56.287 -0.256 0.000 0.834 514 K CB 2.380 34.532 32.500 -0.579 0.000 1.102 514 K HN 0.453 nan 8.250 nan 0.000 0.431 515 T N 1.831 116.426 114.554 0.068 0.000 2.821 515 T HA 0.075 4.427 4.350 0.002 0.000 0.307 515 T C -0.744 174.032 174.700 0.127 0.000 1.034 515 T CA -0.630 61.523 62.100 0.089 0.000 0.953 515 T CB 0.673 69.611 68.868 0.117 0.000 0.968 515 T HN 0.395 nan 8.240 nan 0.000 0.462 516 D N 2.866 123.324 120.400 0.096 0.000 2.371 516 D HA 0.115 4.756 4.640 0.002 0.000 0.256 516 D C 0.629 176.987 176.300 0.098 0.000 1.193 516 D CA -0.222 53.839 54.000 0.102 0.000 0.881 516 D CB 0.766 41.610 40.800 0.073 0.000 1.143 516 D HN 0.458 nan 8.370 nan 0.000 0.473 517 L N 2.958 124.240 121.223 0.099 0.000 2.693 517 L HA 0.318 4.660 4.340 0.002 0.000 0.235 517 L C 1.515 178.423 176.870 0.063 0.000 1.127 517 L CA -0.040 54.860 54.840 0.099 0.000 0.914 517 L CB -0.368 41.745 42.059 0.089 0.000 1.193 517 L HN 0.650 nan 8.230 nan 0.000 0.502 518 G N 1.384 110.216 108.800 0.053 0.000 2.645 518 G HA2 -0.318 3.643 3.960 0.002 0.000 0.246 518 G HA3 -0.318 3.643 3.960 0.002 0.000 0.246 518 G C -0.636 174.276 174.900 0.020 0.000 1.322 518 G CA -0.286 44.836 45.100 0.036 0.000 0.898 518 G HN 0.038 nan 8.290 nan 0.000 0.573 519 L N 1.294 122.524 121.223 0.012 0.000 2.401 519 L HA 0.530 4.872 4.340 0.002 0.000 0.283 519 L C 0.998 177.868 176.870 -0.001 0.000 1.151 519 L CA -0.515 54.326 54.840 0.001 0.000 0.942 519 L CB -0.616 41.441 42.059 -0.002 0.000 1.283 519 L HN 0.421 nan 8.230 nan 0.000 0.442 520 I N 7.456 128.016 120.570 -0.016 0.000 2.828 520 I HA 0.010 4.182 4.170 0.002 0.000 0.292 520 I C -1.528 174.593 176.117 0.006 0.000 1.206 520 I CA -1.088 60.196 61.300 -0.027 0.000 1.420 520 I CB -0.092 37.822 38.000 -0.143 0.000 1.368 520 I HN 0.497 nan 8.210 nan 0.000 0.556 521 P HA 0.032 nan 4.420 nan 0.000 0.272 521 P C -0.093 177.246 177.300 0.064 0.000 1.223 521 P CA -0.066 63.057 63.100 0.037 0.000 0.784 521 P CB 0.747 32.467 31.700 0.034 0.000 0.923 522 S N -1.632 114.108 115.700 0.066 0.000 3.550 522 S HA -0.082 4.389 4.470 0.002 0.000 0.372 522 S C 0.014 174.699 174.600 0.142 0.000 0.966 522 S CA 0.500 58.758 58.200 0.097 0.000 1.229 522 S CB -1.835 61.435 63.200 0.117 0.000 0.917 522 S HN 0.438 nan 8.310 nan 0.000 0.496 523 V N 0.519 120.495 119.914 0.103 0.000 2.623 523 V HA 0.396 4.518 4.120 0.002 0.000 0.304 523 V C 0.990 177.097 176.094 0.021 0.000 1.054 523 V CA -0.487 61.893 62.300 0.133 0.000 0.882 523 V CB 2.229 34.137 31.823 0.141 0.000 1.002 523 V HN 0.503 nan 8.190 nan 0.000 0.424 524 T N 2.574 117.073 114.554 -0.092 0.000 3.004 524 T HA 0.233 4.585 4.350 0.002 0.000 0.243 524 T C 0.276 174.885 174.700 -0.153 0.000 1.020 524 T CA 0.576 62.563 62.100 -0.189 0.000 1.145 524 T CB 0.278 68.933 68.868 -0.356 0.000 0.876 524 T HN 0.673 nan 8.240 nan 0.000 0.449 525 E N 0.356 120.458 120.200 -0.162 0.000 2.343 525 E HA 0.519 4.870 4.350 0.002 0.000 0.278 525 E C -1.678 175.053 176.600 0.220 0.000 0.910 525 E CA -0.525 55.914 56.400 0.065 0.000 0.757 525 E CB 3.101 32.912 29.700 0.184 0.000 1.218 525 E HN -0.085 nan 8.360 nan 0.000 0.435 526 V N 2.236 122.315 119.914 0.276 0.000 2.439 526 V HA 0.381 4.502 4.120 0.002 0.000 0.282 526 V C -0.652 175.674 176.094 0.386 0.000 1.039 526 V CA -0.383 62.132 62.300 0.359 0.000 0.913 526 V CB 1.035 33.040 31.823 0.303 0.000 0.983 526 V HN 0.675 nan 8.190 nan 0.000 0.460 527 H N 2.934 122.175 119.070 0.285 0.000 3.042 527 H HA 0.569 5.127 4.556 0.002 0.000 0.345 527 H C -0.471 175.020 175.328 0.272 0.000 1.052 527 H CA 0.752 56.957 56.048 0.262 0.000 1.311 527 H CB 1.478 31.402 29.762 0.270 0.000 1.810 527 H HN 0.937 nan 8.280 nan 0.000 0.505 528 S N 3.023 118.710 115.700 -0.021 0.000 3.656 528 S HA -0.128 4.343 4.470 0.002 0.000 0.764 528 S C -1.588 173.173 174.600 0.270 0.000 1.134 528 S CA 0.217 58.473 58.200 0.092 0.000 1.138 528 S CB -0.660 62.649 63.200 0.183 0.000 0.596 528 S HN 0.764 nan 8.310 nan 0.000 0.459 529 F N 1.533 121.545 119.950 0.104 0.000 2.604 529 F HA 0.647 5.175 4.527 0.003 0.000 0.316 529 F C -0.559 175.306 175.800 0.107 0.000 1.136 529 F CA 0.434 58.488 58.000 0.090 0.000 0.989 529 F CB 1.527 40.520 39.000 -0.012 0.000 1.258 529 F HN 1.005 nan 8.300 nan 0.000 0.451 530 A N 4.027 126.810 122.820 -0.061 0.000 2.410 530 A HA 0.577 4.898 4.320 0.002 0.000 0.289 530 A C -0.689 176.858 177.584 -0.061 0.000 1.200 530 A CA -0.574 51.496 52.037 0.054 0.000 0.751 530 A CB 0.714 19.781 19.000 0.112 0.000 1.161 530 A HN 0.630 nan 8.150 nan 0.000 0.459 531 T N 3.426 118.064 114.554 0.140 0.000 2.888 531 T HA 0.187 4.538 4.350 0.002 0.000 0.301 531 T C 1.234 175.989 174.700 0.091 0.000 1.001 531 T CA 0.089 62.301 62.100 0.187 0.000 1.147 531 T CB 0.277 69.323 68.868 0.297 0.000 0.931 531 T HN 0.454 nan 8.240 nan 0.000 0.541 532 I N 1.857 122.434 120.570 0.011 0.000 2.899 532 I HA 0.195 4.367 4.170 0.002 0.000 0.257 532 I C 0.979 177.121 176.117 0.042 0.000 1.115 532 I CA 0.781 61.951 61.300 -0.218 0.000 1.451 532 I CB -0.412 37.384 38.000 -0.340 0.000 1.251 532 I HN 0.735 nan 8.210 nan 0.000 0.456 533 D N -2.036 118.426 120.400 0.103 0.000 3.309 533 D HA 0.035 4.677 4.640 0.002 0.000 0.335 533 D C 0.331 176.711 176.300 0.133 0.000 1.393 533 D CA -0.499 53.579 54.000 0.129 0.000 0.963 533 D CB 0.106 40.972 40.800 0.110 0.000 1.431 533 D HN -0.251 nan 8.370 nan 0.000 0.583 534 N N -1.296 117.461 118.700 0.094 0.000 2.512 534 N HA 0.022 4.763 4.740 0.002 0.000 0.183 534 N C 0.254 175.784 175.510 0.033 0.000 1.073 534 N CA 0.834 53.914 53.050 0.051 0.000 0.911 534 N CB -0.051 38.436 38.487 -0.000 0.000 0.964 534 N HN 0.289 nan 8.380 nan 0.000 0.447 535 N N -1.528 117.231 118.700 0.098 0.000 2.317 535 N HA 0.223 4.964 4.740 0.002 0.000 0.199 535 N C 0.517 176.151 175.510 0.207 0.000 1.145 535 N CA 0.560 53.693 53.050 0.138 0.000 0.882 535 N CB 1.298 39.831 38.487 0.076 0.000 1.113 535 N HN 0.176 nan 8.380 nan 0.000 0.486 536 G N 0.023 108.903 108.800 0.134 0.000 2.561 536 G HA2 0.560 4.522 3.960 0.002 0.000 0.310 536 G HA3 0.560 4.522 3.960 0.002 0.000 0.310 536 G C -1.951 172.995 174.900 0.077 0.000 1.292 536 G CA -0.659 44.411 45.100 -0.051 0.000 0.811 536 G HN 0.084 nan 8.290 nan 0.000 0.482 537 F N -2.629 117.341 119.950 0.033 0.000 2.807 537 F HA 0.871 5.400 4.527 0.004 0.000 0.316 537 F C -0.517 175.294 175.800 0.018 0.000 1.162 537 F CA -1.285 56.623 58.000 -0.154 0.000 0.910 537 F CB 1.035 39.675 39.000 -0.600 0.000 1.314 537 F HN 1.178 nan 8.300 nan 0.000 0.454 538 A N 1.795 124.709 122.820 0.155 0.000 2.380 538 A HA 0.926 5.248 4.320 0.002 0.000 0.315 538 A C -1.238 176.460 177.584 0.190 0.000 1.101 538 A CA -0.929 51.260 52.037 0.254 0.000 0.771 538 A CB 1.603 20.686 19.000 0.138 0.000 1.287 538 A HN 0.809 nan 8.150 nan 0.000 0.436 539 M N 1.497 121.319 119.600 0.369 0.000 2.395 539 M HA 0.473 4.954 4.480 0.002 0.000 0.307 539 M C 0.553 177.086 176.300 0.389 0.000 1.091 539 M CA -0.425 55.085 55.300 0.351 0.000 0.919 539 M CB 2.316 35.167 32.600 0.419 0.000 1.662 539 M HN 0.877 nan 8.290 nan 0.000 0.440 540 G N 1.552 110.565 108.800 0.355 0.000 2.606 540 G HA2 0.468 4.429 3.960 0.002 0.000 0.252 540 G HA3 0.468 4.429 3.960 0.002 0.000 0.252 540 G C -1.420 173.727 174.900 0.412 0.000 1.206 540 G CA 0.033 45.340 45.100 0.345 0.000 0.861 540 G HN 0.809 nan 8.290 nan 0.000 0.561 541 Y N -0.869 119.514 120.300 0.138 0.000 2.656 541 Y HA 0.683 5.234 4.550 0.002 0.000 0.334 541 Y C -0.902 175.078 175.900 0.134 0.000 1.179 541 Y CA -1.473 56.703 58.100 0.127 0.000 1.050 541 Y CB 1.023 39.497 38.460 0.023 0.000 1.308 541 Y HN 1.064 nan 8.280 nan 0.000 0.456 542 H N 0.047 119.063 119.070 -0.090 0.000 3.016 542 H HA 0.613 5.170 4.556 0.002 0.000 0.362 542 H C -1.885 173.501 175.328 0.096 0.000 1.233 542 H CA -0.993 54.933 56.048 -0.203 0.000 1.124 542 H CB 2.209 31.891 29.762 -0.133 0.000 1.850 542 H HN 0.757 nan 8.280 nan 0.000 0.549 543 Q N 1.689 121.500 119.800 0.018 0.000 2.325 543 Q HA 0.429 4.770 4.340 0.002 0.000 0.270 543 Q C -0.685 175.386 176.000 0.118 0.000 1.020 543 Q CA -0.292 55.526 55.803 0.025 0.000 0.785 543 Q CB 1.749 30.567 28.738 0.133 0.000 1.259 543 Q HN 1.128 nan 8.270 nan 0.000 0.452 544 G N 3.232 112.103 108.800 0.119 0.000 4.165 544 G HA2 0.116 4.077 3.960 0.002 0.000 0.287 544 G HA3 0.116 4.077 3.960 0.002 0.000 0.287 544 G C 0.142 175.099 174.900 0.096 0.000 1.019 544 G CA -0.173 45.031 45.100 0.173 0.000 0.806 544 G HN 0.631 nan 8.290 nan 0.000 0.447 545 D N 0.144 120.579 120.400 0.058 0.000 2.338 545 D HA 0.096 4.737 4.640 0.002 0.000 0.208 545 D C 0.985 177.304 176.300 0.033 0.000 0.997 545 D CA 0.752 54.774 54.000 0.038 0.000 0.880 545 D CB 1.447 42.258 40.800 0.019 0.000 0.980 545 D HN 0.355 nan 8.370 nan 0.000 0.509 546 V N -2.170 117.765 119.914 0.036 0.000 3.087 546 V HA 0.763 4.884 4.120 0.002 0.000 0.306 546 V C -0.973 175.142 176.094 0.034 0.000 1.187 546 V CA -1.374 60.945 62.300 0.031 0.000 0.999 546 V CB 1.711 33.549 31.823 0.026 0.000 1.049 546 V HN 0.016 nan 8.190 nan 0.000 0.431 547 A N 4.246 127.082 122.820 0.028 0.000 2.440 547 A HA 0.809 5.130 4.320 0.002 0.000 0.251 547 A C -1.722 175.879 177.584 0.029 0.000 1.089 547 A CA -0.848 51.205 52.037 0.026 0.000 0.779 547 A CB -0.372 18.639 19.000 0.018 0.000 1.022 547 A HN 0.955 nan 8.150 nan 0.000 0.492 548 P HA 0.505 nan 4.420 nan 0.000 0.287 548 P C -0.708 176.616 177.300 0.040 0.000 1.270 548 P CA -0.811 62.307 63.100 0.029 0.000 0.844 548 P CB 0.932 32.647 31.700 0.025 0.000 1.068 549 R N 0.894 121.416 120.500 0.036 0.000 2.640 549 R HA 0.173 4.514 4.340 0.002 0.000 0.270 549 R C 0.559 176.882 176.300 0.038 0.000 1.024 549 R CA 0.667 56.795 56.100 0.047 0.000 1.085 549 R CB 0.063 30.388 30.300 0.041 0.000 0.963 549 R HN 0.468 nan 8.270 nan 0.000 0.426 550 E N 0.855 121.082 120.200 0.046 0.000 2.256 550 E HA 0.537 4.888 4.350 0.002 0.000 0.267 550 E C -1.203 175.316 176.600 -0.136 0.000 0.892 550 E CA -0.955 55.446 56.400 0.001 0.000 0.775 550 E CB 2.410 32.184 29.700 0.122 0.000 1.207 550 E HN 0.115 nan 8.360 nan 0.000 0.420 551 V N 1.096 120.854 119.914 -0.260 0.000 2.777 551 V HA 0.768 4.889 4.120 0.002 0.000 0.306 551 V C 0.140 175.946 176.094 -0.480 0.000 1.112 551 V CA -0.388 61.670 62.300 -0.404 0.000 0.917 551 V CB 1.642 33.327 31.823 -0.230 0.000 1.018 551 V HN 0.938 nan 8.190 nan 0.000 0.426 552 G N 3.447 111.853 108.800 -0.657 0.000 2.487 552 G HA2 0.662 4.624 3.960 0.002 0.000 0.184 552 G HA3 0.662 4.624 3.960 0.002 0.000 0.184 552 G C -1.897 172.962 174.900 -0.069 0.000 1.180 552 G CA 0.149 45.093 45.100 -0.260 0.000 0.997 552 G HN 1.336 nan 8.290 nan 0.000 0.501 553 L N -2.827 118.503 121.223 0.177 0.000 2.469 553 L HA 0.934 5.276 4.340 0.002 0.000 0.256 553 L C -1.675 175.232 176.870 0.061 0.000 1.006 553 L CA -1.192 53.775 54.840 0.211 0.000 0.832 553 L CB 1.569 43.785 42.059 0.262 0.000 1.421 553 L HN 0.378 nan 8.230 nan 0.000 0.410 554 F N 1.580 121.728 119.950 0.331 0.000 2.426 554 F HA 0.522 5.050 4.527 0.002 0.000 0.348 554 F C -0.673 175.277 175.800 0.249 0.000 1.124 554 F CA -0.380 57.730 58.000 0.183 0.000 1.008 554 F CB 1.513 40.523 39.000 0.015 0.000 1.139 554 F HN 0.490 nan 8.300 nan 0.000 0.452 555 Y N 4.534 124.935 120.300 0.167 0.000 2.341 555 Y HA 0.478 5.029 4.550 0.002 0.000 0.340 555 Y C -1.440 174.406 175.900 -0.090 0.000 0.997 555 Y CA -2.217 55.919 58.100 0.060 0.000 1.149 555 Y CB 0.406 38.867 38.460 0.002 0.000 1.171 555 Y HN 0.443 nan 8.280 nan 0.000 0.494 556 F N 9.321 129.050 119.950 -0.369 0.000 2.303 556 F HA 0.347 4.876 4.527 0.002 0.000 0.368 556 F C -1.677 173.604 175.800 -0.865 0.000 1.105 556 F CA -1.922 55.716 58.000 -0.602 0.000 1.153 556 F CB 1.135 39.662 39.000 -0.788 0.000 1.362 556 F HN 0.463 nan 8.300 nan 0.000 0.511 557 P HA -0.112 nan 4.420 nan 0.000 0.220 557 P C 0.014 177.151 177.300 -0.272 0.000 1.152 557 P CA 1.281 63.916 63.100 -0.776 0.000 0.812 557 P CB 0.357 31.700 31.700 -0.594 0.000 0.792 558 D N -1.298 118.998 120.400 -0.173 0.000 2.363 558 D HA 0.348 4.989 4.640 0.002 0.000 0.258 558 D C 0.509 176.832 176.300 0.039 0.000 1.259 558 D CA -0.618 53.376 54.000 -0.009 0.000 0.921 558 D CB 0.412 41.222 40.800 0.017 0.000 1.201 558 D HN -0.152 nan 8.370 nan 0.000 0.524 559 A N 2.407 125.237 122.820 0.016 0.000 2.167 559 A HA 0.053 4.375 4.320 0.002 0.000 0.214 559 A C 1.400 179.066 177.584 0.137 0.000 1.151 559 A CA 0.458 52.488 52.037 -0.013 0.000 0.735 559 A CB -0.394 18.385 19.000 -0.370 0.000 0.802 559 A HN 0.469 nan 8.150 nan 0.000 0.467 560 F N 0.155 120.248 119.950 0.239 0.000 2.118 560 F HA -0.035 4.493 4.527 0.003 0.000 0.293 560 F C 2.161 178.071 175.800 0.184 0.000 1.102 560 F CA 1.968 60.176 58.000 0.347 0.000 1.247 560 F CB -0.379 38.810 39.000 0.314 0.000 1.017 560 F HN 0.233 nan 8.300 nan 0.000 0.475 561 N N -1.544 117.318 118.700 0.270 0.000 2.368 561 N HA 0.001 4.743 4.740 0.002 0.000 0.176 561 N C -0.174 175.374 175.510 0.064 0.000 1.021 561 N CA 0.776 53.904 53.050 0.130 0.000 0.888 561 N CB 0.191 38.744 38.487 0.109 0.000 0.995 561 N HN -0.071 nan 8.380 nan 0.000 0.437 562 S N 0.692 116.437 115.700 0.074 0.000 2.235 562 S HA 0.200 4.672 4.470 0.002 0.000 0.152 562 S C -2.181 172.471 174.600 0.087 0.000 1.649 562 S CA -0.890 57.338 58.200 0.046 0.000 1.277 562 S CB 1.284 64.489 63.200 0.009 0.000 1.299 562 S HN 0.152 nan 8.310 nan 0.000 0.388 563 P HA -0.092 nan 4.420 nan 0.000 0.225 563 P C 1.260 178.736 177.300 0.294 0.000 1.148 563 P CA 0.946 64.168 63.100 0.203 0.000 0.779 563 P CB -0.003 31.800 31.700 0.172 0.000 0.780 564 S N -2.240 113.570 115.700 0.183 0.000 2.548 564 S HA 0.045 4.516 4.470 0.002 0.000 0.215 564 S C 0.819 175.479 174.600 0.100 0.000 0.976 564 S CA -0.327 57.981 58.200 0.181 0.000 0.908 564 S CB -0.938 62.314 63.200 0.086 0.000 0.781 564 S HN -0.001 nan 8.310 nan 0.000 0.519 565 N N 1.472 120.188 118.700 0.027 0.000 2.426 565 N HA 0.458 5.199 4.740 0.002 0.000 0.257 565 N C -1.001 174.331 175.510 -0.296 0.000 1.002 565 N CA -0.706 52.239 53.050 -0.174 0.000 0.942 565 N CB 0.494 38.895 38.487 -0.144 0.000 1.112 565 N HN 0.513 nan 8.380 nan 0.000 0.499 566 Y N 0.566 120.561 120.300 -0.509 0.000 2.615 566 Y HA 0.734 5.286 4.550 0.003 0.000 0.341 566 Y C -1.401 174.284 175.900 -0.359 0.000 1.089 566 Y CA -1.431 56.231 58.100 -0.730 0.000 1.049 566 Y CB 0.812 38.396 38.460 -1.461 0.000 1.296 566 Y HN 0.090 nan 8.280 nan 0.000 0.470 567 V N 2.754 122.626 119.914 -0.070 0.000 2.531 567 V HA 0.530 4.652 4.120 0.002 0.000 0.301 567 V C -0.687 175.566 176.094 0.264 0.000 1.034 567 V CA -0.959 61.369 62.300 0.047 0.000 0.865 567 V CB 1.565 33.396 31.823 0.014 0.000 0.995 567 V HN 0.931 nan 8.190 nan 0.000 0.424 568 R N 6.290 126.961 120.500 0.284 0.000 2.347 568 R HA 0.491 4.833 4.340 0.002 0.000 0.304 568 R C -0.685 175.716 176.300 0.168 0.000 1.072 568 R CA -0.366 55.879 56.100 0.241 0.000 0.980 568 R CB 0.448 30.885 30.300 0.228 0.000 0.986 568 R HN 0.676 nan 8.270 nan 0.000 0.448 569 R N 4.324 124.931 120.500 0.178 0.000 2.502 569 R HA 0.198 4.540 4.340 0.002 0.000 0.300 569 R C -0.917 175.542 176.300 0.265 0.000 0.984 569 R CA -0.795 55.434 56.100 0.213 0.000 0.882 569 R CB 2.309 32.731 30.300 0.202 0.000 1.180 569 R HN 0.686 nan 8.270 nan 0.000 0.444 570 Q N 2.213 122.160 119.800 0.244 0.000 2.226 570 Q HA 0.480 4.821 4.340 0.002 0.000 0.256 570 Q C 0.710 176.785 176.000 0.126 0.000 0.962 570 Q CA -0.782 55.106 55.803 0.142 0.000 0.887 570 Q CB 2.274 31.070 28.738 0.096 0.000 1.282 570 Q HN 0.573 nan 8.270 nan 0.000 0.449 571 I N -1.695 118.728 120.570 -0.245 0.000 3.269 571 I HA 0.384 4.556 4.170 0.002 0.000 0.287 571 I C -2.235 173.711 176.117 -0.284 0.000 1.152 571 I CA -2.395 58.464 61.300 -0.735 0.000 1.263 571 I CB 0.019 37.347 38.000 -1.120 0.000 1.439 571 I HN 0.311 nan 8.210 nan 0.000 0.637 572 P HA 0.034 nan 4.420 nan 0.000 0.268 572 P C 0.569 177.911 177.300 0.071 0.000 1.204 572 P CA -0.017 63.126 63.100 0.072 0.000 0.768 572 P CB 0.974 32.816 31.700 0.237 0.000 0.842 573 S N 2.301 118.029 115.700 0.046 0.000 2.402 573 S HA -0.230 4.242 4.470 0.002 0.000 0.233 573 S C 1.404 175.987 174.600 -0.027 0.000 1.030 573 S CA 1.222 59.429 58.200 0.011 0.000 1.003 573 S CB -0.796 62.413 63.200 0.015 0.000 0.813 573 S HN 0.422 nan 8.310 nan 0.000 0.477 574 E N 0.192 120.348 120.200 -0.074 0.000 2.409 574 E HA -0.037 4.314 4.350 0.002 0.000 0.198 574 E C 0.578 176.984 176.600 -0.323 0.000 1.024 574 E CA 0.753 57.020 56.400 -0.221 0.000 0.861 574 E CB -0.181 29.335 29.700 -0.307 0.000 0.788 574 E HN 0.840 nan 8.360 nan 0.000 0.521 575 Y N -0.074 120.213 120.300 -0.021 0.000 2.467 575 Y HA 0.161 4.712 4.550 0.002 0.000 0.250 575 Y C 1.794 177.663 175.900 -0.052 0.000 1.155 575 Y CA -0.074 58.021 58.100 -0.009 0.000 1.249 575 Y CB 0.596 39.103 38.460 0.078 0.000 1.146 575 Y HN 0.006 nan 8.280 nan 0.000 0.524 576 E N 0.373 120.588 120.200 0.026 0.000 2.170 576 E HA 0.003 4.355 4.350 0.002 0.000 0.191 576 E C -1.870 174.724 176.600 -0.010 0.000 0.981 576 E CA -0.330 56.062 56.400 -0.013 0.000 0.830 576 E CB -0.791 28.892 29.700 -0.028 0.000 0.775 576 E HN 0.234 nan 8.360 nan 0.000 0.470 577 P HA -0.016 nan 4.420 nan 0.000 0.268 577 P C -0.754 176.537 177.300 -0.014 0.000 1.205 577 P CA 0.556 63.645 63.100 -0.017 0.000 0.771 577 P CB 0.362 32.043 31.700 -0.032 0.000 0.858 578 D N -0.957 119.435 120.400 -0.013 0.000 2.800 578 D HA -0.171 4.471 4.640 0.002 0.000 0.232 578 D C -0.178 176.109 176.300 -0.021 0.000 1.137 578 D CA 1.434 55.424 54.000 -0.016 0.000 0.718 578 D CB -1.334 39.450 40.800 -0.026 0.000 1.084 578 D HN 0.519 nan 8.370 nan 0.000 0.432 579 A N -0.190 122.610 122.820 -0.033 0.000 2.498 579 A HA 0.829 5.151 4.320 0.002 0.000 0.298 579 A C 0.098 177.592 177.584 -0.151 0.000 1.075 579 A CA 0.320 52.321 52.037 -0.059 0.000 0.714 579 A CB 2.293 21.279 19.000 -0.024 0.000 1.299 579 A HN 0.468 nan 8.150 nan 0.000 0.407 580 S N 0.223 115.775 115.700 -0.247 0.000 2.643 580 S HA 0.615 5.087 4.470 0.002 0.000 0.270 580 S C -0.801 173.564 174.600 -0.392 0.000 1.166 580 S CA -0.274 57.575 58.200 -0.586 0.000 0.815 580 S CB 0.430 63.093 63.200 -0.895 0.000 1.139 580 S HN 1.110 nan 8.310 nan 0.000 0.472 581 E N 0.936 120.867 120.200 -0.448 0.000 2.246 581 E HA -0.126 4.226 4.350 0.002 0.000 0.173 581 E C -2.398 174.064 176.600 -0.230 0.000 1.532 581 E CA 0.620 56.740 56.400 -0.468 0.000 0.672 581 E CB -1.394 27.902 29.700 -0.674 0.000 1.078 581 E HN 0.550 nan 8.360 nan 0.000 0.338 582 P HA 0.059 nan 4.420 nan 0.000 0.275 582 P C -0.126 177.451 177.300 0.460 0.000 1.228 582 P CA -0.366 62.857 63.100 0.206 0.000 0.786 582 P CB 0.959 32.741 31.700 0.136 0.000 0.927 583 C N 4.455 124.039 119.300 0.473 0.000 2.295 583 C HA 0.620 5.082 4.460 0.002 0.000 0.331 583 C C 0.829 176.159 174.990 0.568 0.000 1.280 583 C CA -0.253 59.081 59.018 0.526 0.000 1.746 583 C CB -0.918 27.170 27.740 0.580 0.000 2.328 583 C HN 0.476 nan 8.230 nan 0.000 0.521 584 I N 1.128 121.959 120.570 0.434 0.000 2.569 584 I HA 0.882 5.053 4.170 0.002 0.000 0.296 584 I C -0.795 175.515 176.117 0.322 0.000 1.028 584 I CA -0.613 60.960 61.300 0.455 0.000 1.082 584 I CB 1.667 39.892 38.000 0.377 0.000 1.264 584 I HN 0.301 nan 8.210 nan 0.000 0.429 585 K N 3.621 124.288 120.400 0.444 0.000 2.508 585 K HA 0.528 4.850 4.320 0.002 0.000 0.260 585 K C -2.015 174.874 176.600 0.481 0.000 0.949 585 K CA -0.657 55.821 56.287 0.318 0.000 0.834 585 K CB 2.076 34.685 32.500 0.181 0.000 1.365 585 K HN 0.597 nan 8.250 nan 0.000 0.437 586 Y N 2.119 122.455 120.300 0.059 0.000 2.331 586 Y HA 0.520 5.071 4.550 0.002 0.000 0.334 586 Y C -1.647 174.182 175.900 -0.118 0.000 0.960 586 Y CA -0.602 57.536 58.100 0.063 0.000 1.130 586 Y CB 0.925 39.395 38.460 0.017 0.000 1.164 586 Y HN 0.556 nan 8.280 nan 0.000 0.458 587 Y N 4.208 124.494 120.300 -0.023 0.000 2.354 587 Y HA 0.249 4.800 4.550 0.003 0.000 0.330 587 Y C -0.250 175.545 175.900 -0.176 0.000 1.011 587 Y CA -1.464 56.625 58.100 -0.019 0.000 1.099 587 Y CB 1.555 40.128 38.460 0.188 0.000 1.179 587 Y HN 0.633 nan 8.280 nan 0.000 0.442 588 D N 2.891 123.256 120.400 -0.058 0.000 2.708 588 D HA -0.186 4.456 4.640 0.002 0.000 0.236 588 D C 1.239 177.432 176.300 -0.178 0.000 1.146 588 D CA 2.074 56.037 54.000 -0.061 0.000 0.662 588 D CB -0.980 39.849 40.800 0.049 0.000 1.059 588 D HN 1.164 nan 8.370 nan 0.000 0.428 589 G N -2.244 106.281 108.800 -0.458 0.000 2.159 589 G HA2 -0.278 3.684 3.960 0.002 0.000 0.256 589 G HA3 -0.278 3.684 3.960 0.002 0.000 0.256 589 G C 0.283 175.012 174.900 -0.285 0.000 0.977 589 G CA 0.288 45.181 45.100 -0.344 0.000 0.652 589 G HN 0.656 nan 8.290 nan 0.000 0.531 590 V N 1.829 121.515 119.914 -0.381 0.000 2.448 590 V HA 0.643 4.765 4.120 0.002 0.000 0.295 590 V C 0.264 176.260 176.094 -0.164 0.000 1.025 590 V CA -1.125 61.010 62.300 -0.276 0.000 0.859 590 V CB 1.937 33.543 31.823 -0.362 0.000 0.988 590 V HN 0.273 nan 8.190 nan 0.000 0.431 591 L N 6.192 127.403 121.223 -0.020 0.000 2.257 591 L HA 0.539 4.881 4.340 0.002 0.000 0.290 591 L C -1.203 175.753 176.870 0.144 0.000 1.044 591 L CA -0.027 54.941 54.840 0.214 0.000 0.810 591 L CB 0.718 42.876 42.059 0.165 0.000 1.193 591 L HN 0.606 nan 8.230 nan 0.000 0.425 592 Y N 5.337 125.938 120.300 0.501 0.000 2.360 592 Y HA 0.545 5.097 4.550 0.003 0.000 0.337 592 Y C 0.037 176.295 175.900 0.595 0.000 1.039 592 Y CA -0.538 57.883 58.100 0.533 0.000 1.109 592 Y CB 1.969 40.749 38.460 0.534 0.000 1.201 592 Y HN 0.492 nan 8.280 nan 0.000 0.458 593 L N 5.219 126.809 121.223 0.611 0.000 2.409 593 L HA 0.677 5.019 4.340 0.002 0.000 0.272 593 L C -1.662 175.409 176.870 0.335 0.000 0.980 593 L CA -0.501 54.620 54.840 0.468 0.000 0.826 593 L CB 1.147 43.391 42.059 0.309 0.000 1.268 593 L HN 0.620 nan 8.230 nan 0.000 0.407 594 I N 3.814 124.583 120.570 0.331 0.000 2.406 594 I HA 0.360 4.531 4.170 0.002 0.000 0.290 594 I C 0.362 176.627 176.117 0.247 0.000 0.999 594 I CA -0.553 60.907 61.300 0.266 0.000 1.124 594 I CB 2.145 40.282 38.000 0.227 0.000 1.289 594 I HN 0.597 nan 8.210 nan 0.000 0.441 595 T N 2.736 117.406 114.554 0.192 0.000 2.874 595 T HA 0.390 4.741 4.350 0.002 0.000 0.281 595 T C -0.047 174.699 174.700 0.075 0.000 0.994 595 T CA -0.769 61.396 62.100 0.107 0.000 1.015 595 T CB 1.720 70.631 68.868 0.073 0.000 1.028 595 T HN 0.652 nan 8.240 nan 0.000 0.523 596 R N 0.441 120.945 120.500 0.007 0.000 2.297 596 R HA 0.544 4.886 4.340 0.002 0.000 0.308 596 R C 0.364 176.643 176.300 -0.034 0.000 1.029 596 R CA -0.558 55.526 56.100 -0.026 0.000 0.929 596 R CB 0.451 30.721 30.300 -0.050 0.000 1.046 596 R HN 0.927 nan 8.270 nan 0.000 0.461 597 G N 0.823 109.604 108.800 -0.030 0.000 2.420 597 G HA2 0.179 4.140 3.960 0.002 0.000 0.284 597 G HA3 0.179 4.140 3.960 0.002 0.000 0.284 597 G C 0.721 175.639 174.900 0.030 0.000 1.177 597 G CA -0.388 44.704 45.100 -0.013 0.000 0.841 597 G HN 0.772 nan 8.290 nan 0.000 0.527 598 T N -1.416 113.154 114.554 0.028 0.000 3.040 598 T HA 0.299 4.651 4.350 0.002 0.000 0.250 598 T C 0.860 175.617 174.700 0.095 0.000 1.058 598 T CA -0.054 62.102 62.100 0.094 0.000 0.988 598 T CB 0.194 69.088 68.868 0.042 0.000 0.993 598 T HN 0.446 nan 8.240 nan 0.000 0.519 599 R N -0.486 119.980 120.500 -0.057 0.000 2.604 599 R HA 0.553 4.895 4.340 0.002 0.000 0.281 599 R C 0.784 176.782 176.300 -0.504 0.000 1.020 599 R CA -0.663 55.316 56.100 -0.200 0.000 0.899 599 R CB 1.606 31.832 30.300 -0.123 0.000 1.205 599 R HN 0.112 nan 8.270 nan 0.000 0.450 600 G N 0.765 109.005 108.800 -0.932 0.000 2.920 600 G HA2 -0.145 3.816 3.960 0.002 0.000 0.208 600 G HA3 -0.145 3.816 3.960 0.002 0.000 0.208 600 G C 0.414 175.016 174.900 -0.497 0.000 1.159 600 G CA 0.278 44.646 45.100 -1.220 0.000 0.784 600 G HN 0.707 nan 8.290 nan 0.000 0.535 601 D N -0.813 119.398 120.400 -0.315 0.000 2.402 601 D HA 0.135 4.777 4.640 0.002 0.000 0.216 601 D C 0.719 176.941 176.300 -0.130 0.000 1.128 601 D CA -0.247 53.647 54.000 -0.177 0.000 0.833 601 D CB 0.616 41.339 40.800 -0.127 0.000 0.971 601 D HN -0.001 nan 8.370 nan 0.000 0.503 602 R N 0.172 120.586 120.500 -0.144 0.000 2.836 602 R HA 0.429 4.771 4.340 0.002 0.000 0.269 602 R C -0.097 176.147 176.300 -0.093 0.000 1.010 602 R CA -0.960 55.081 56.100 -0.099 0.000 0.930 602 R CB 1.411 31.663 30.300 -0.080 0.000 1.218 602 R HN 0.017 nan 8.270 nan 0.000 0.473 603 L N 1.379 122.562 121.223 -0.067 0.000 2.615 603 L HA 0.034 4.376 4.340 0.002 0.000 0.284 603 L C 1.328 178.181 176.870 -0.029 0.000 1.237 603 L CA 0.556 55.369 54.840 -0.045 0.000 0.905 603 L CB -0.098 41.934 42.059 -0.044 0.000 1.149 603 L HN 0.791 nan 8.230 nan 0.000 0.499 604 G N 1.874 110.669 108.800 -0.009 0.000 3.099 604 G HA2 0.272 4.234 3.960 0.002 0.000 0.151 604 G HA3 0.272 4.234 3.960 0.002 0.000 0.151 604 G C -0.403 174.539 174.900 0.071 0.000 1.265 604 G CA -0.481 44.620 45.100 0.001 0.000 0.981 604 G HN 0.548 nan 8.290 nan 0.000 0.601 605 S N 0.063 115.804 115.700 0.067 0.000 2.599 605 S HA 0.341 4.812 4.470 0.002 0.000 0.303 605 S C 0.456 175.255 174.600 0.333 0.000 1.267 605 S CA 0.521 58.824 58.200 0.172 0.000 1.055 605 S CB 0.204 63.449 63.200 0.074 0.000 0.790 605 S HN 1.028 nan 8.310 nan 0.000 0.500 606 S N 2.187 118.028 115.700 0.236 0.000 2.599 606 S HA 0.763 5.234 4.470 0.002 0.000 0.287 606 S C -1.085 173.422 174.600 -0.155 0.000 1.105 606 S CA -1.056 57.115 58.200 -0.048 0.000 0.899 606 S CB 1.479 64.632 63.200 -0.078 0.000 1.100 606 S HN 0.525 nan 8.310 nan 0.000 0.482 607 L N 1.856 122.710 121.223 -0.616 0.000 2.346 607 L HA 0.691 5.033 4.340 0.002 0.000 0.276 607 L C -1.198 175.269 176.870 -0.673 0.000 1.006 607 L CA -0.043 54.509 54.840 -0.480 0.000 0.817 607 L CB 1.322 43.056 42.059 -0.541 0.000 1.272 607 L HN 0.908 nan 8.230 nan 0.000 0.421 608 H N 4.237 123.365 119.070 0.096 0.000 2.806 608 H HA 0.580 5.138 4.556 0.002 0.000 0.367 608 H C -1.066 174.568 175.328 0.509 0.000 1.136 608 H CA -0.838 55.353 56.048 0.238 0.000 1.178 608 H CB 2.097 31.746 29.762 -0.188 0.000 1.718 608 H HN 0.686 nan 8.280 nan 0.000 0.540 609 R N 0.431 121.273 120.500 0.569 0.000 2.686 609 R HA 0.706 5.047 4.340 0.002 0.000 0.283 609 R C -1.250 175.100 176.300 0.084 0.000 0.978 609 R CA -0.923 55.296 56.100 0.199 0.000 0.897 609 R CB 2.329 32.493 30.300 -0.227 0.000 1.192 609 R HN 0.446 nan 8.270 nan 0.000 0.457 610 S N 0.854 116.452 115.700 -0.169 0.000 2.548 610 S HA 0.411 4.882 4.470 0.002 0.000 0.276 610 S C -0.325 174.099 174.600 -0.292 0.000 1.129 610 S CA -0.913 57.053 58.200 -0.390 0.000 0.931 610 S CB 1.609 64.246 63.200 -0.938 0.000 1.068 610 S HN 0.792 nan 8.310 nan 0.000 0.480 611 R N 1.717 122.069 120.500 -0.246 0.000 2.552 611 R HA 0.209 4.550 4.340 0.002 0.000 0.314 611 R C -0.633 175.584 176.300 -0.140 0.000 1.041 611 R CA 0.190 56.193 56.100 -0.162 0.000 1.076 611 R CB 0.099 30.317 30.300 -0.137 0.000 1.290 611 R HN 0.687 nan 8.270 nan 0.000 0.563 612 D N -0.850 119.425 120.400 -0.209 0.000 2.760 612 D HA 0.072 4.714 4.640 0.002 0.000 0.314 612 D C 0.226 176.378 176.300 -0.247 0.000 1.464 612 D CA -0.545 53.342 54.000 -0.188 0.000 0.797 612 D CB -0.418 40.285 40.800 -0.161 0.000 1.149 612 D HN 0.119 nan 8.370 nan 0.000 0.455 613 I N 0.198 120.594 120.570 -0.291 0.000 6.395 613 I HA -0.245 3.927 4.170 0.002 0.000 0.126 613 I C 1.201 177.110 176.117 -0.348 0.000 1.812 613 I CA 0.702 61.784 61.300 -0.363 0.000 2.112 613 I CB -1.683 35.982 38.000 -0.559 0.000 3.457 613 I HN 0.515 nan 8.210 nan 0.000 0.192 614 G N -0.028 108.427 108.800 -0.575 0.000 2.159 614 G HA2 -0.244 3.718 3.960 0.002 0.000 0.227 614 G HA3 -0.244 3.718 3.960 0.002 0.000 0.227 614 G C 0.439 175.061 174.900 -0.462 0.000 0.986 614 G CA 0.386 45.049 45.100 -0.727 0.000 0.651 614 G HN 0.565 nan 8.290 nan 0.000 0.523 615 Q N -0.194 119.379 119.800 -0.378 0.000 2.163 615 Q HA 0.167 4.508 4.340 0.002 0.000 0.198 615 Q C 1.496 177.378 176.000 -0.197 0.000 0.954 615 Q CA 1.521 57.214 55.803 -0.183 0.000 0.851 615 Q CB 0.239 28.908 28.738 -0.114 0.000 0.928 615 Q HN 0.770 nan 8.270 nan 0.000 0.459 616 T N -2.859 111.485 114.554 -0.350 0.000 2.916 616 T HA 0.578 4.929 4.350 0.002 0.000 0.292 616 T C -1.489 172.968 174.700 -0.406 0.000 1.055 616 T CA -0.843 61.124 62.100 -0.222 0.000 1.009 616 T CB 1.382 70.190 68.868 -0.101 0.000 1.118 616 T HN 0.183 nan 8.240 nan 0.000 0.497 617 W N 0.040 121.344 121.300 0.007 0.000 3.127 617 W HA 0.613 5.275 4.660 0.004 0.000 0.330 617 W C -0.384 176.146 176.519 0.018 0.000 1.187 617 W CA -0.757 56.600 57.345 0.021 0.000 1.198 617 W CB 1.858 31.359 29.460 0.069 0.000 1.408 617 W HN 0.951 nan 8.180 nan 0.000 0.529 618 E N 1.412 121.757 120.200 0.242 0.000 2.191 618 E HA 0.732 5.083 4.350 0.002 0.000 0.274 618 E C -0.794 175.999 176.600 0.322 0.000 0.948 618 E CA -0.304 56.184 56.400 0.147 0.000 0.802 618 E CB 1.402 30.999 29.700 -0.172 0.000 1.137 618 E HN 0.357 nan 8.360 nan 0.000 0.397 619 S N 2.357 118.238 115.700 0.302 0.000 2.599 619 S HA 0.683 5.154 4.470 0.002 0.000 0.287 619 S C -1.440 173.115 174.600 -0.075 0.000 1.105 619 S CA -0.821 57.369 58.200 -0.016 0.000 0.899 619 S CB 1.363 64.364 63.200 -0.331 0.000 1.100 619 S HN 0.514 nan 8.310 nan 0.000 0.482 620 L N -0.451 120.453 121.223 -0.531 0.000 2.506 620 L HA 0.875 5.216 4.340 0.002 0.000 0.257 620 L C -1.163 175.368 176.870 -0.565 0.000 0.964 620 L CA -0.831 53.698 54.840 -0.518 0.000 0.836 620 L CB 1.665 43.242 42.059 -0.803 0.000 1.384 620 L HN 0.548 nan 8.230 nan 0.000 0.410 621 R N 1.624 121.933 120.500 -0.318 0.000 2.338 621 R HA 0.712 5.053 4.340 0.002 0.000 0.317 621 R C -1.320 174.813 176.300 -0.279 0.000 0.968 621 R CA -0.416 55.568 56.100 -0.195 0.000 0.849 621 R CB 0.685 30.995 30.300 0.016 0.000 1.128 621 R HN 0.604 nan 8.270 nan 0.000 0.448 622 F N 5.788 125.683 119.950 -0.092 0.000 2.518 622 F HA 0.268 4.796 4.527 0.002 0.000 0.359 622 F C -1.325 174.447 175.800 -0.048 0.000 1.118 622 F CA -1.316 56.657 58.000 -0.044 0.000 1.287 622 F CB 0.400 39.440 39.000 0.067 0.000 1.132 622 F HN 0.454 nan 8.300 nan 0.000 0.587 623 P HA 0.077 nan 4.420 nan 0.000 0.272 623 P C -0.658 176.638 177.300 -0.006 0.000 1.223 623 P CA 0.191 63.227 63.100 -0.107 0.000 0.784 623 P CB 0.337 31.908 31.700 -0.214 0.000 0.923 624 H N 0.138 119.226 119.070 0.029 0.000 2.941 624 H HA -0.149 4.408 4.556 0.003 0.000 0.279 624 H C -0.316 174.973 175.328 -0.066 0.000 1.247 624 H CA 0.656 56.698 56.048 -0.009 0.000 1.129 624 H CB -2.560 27.214 29.762 0.020 0.000 1.313 624 H HN 0.736 nan 8.280 nan 0.000 0.384 625 N N -1.344 117.361 118.700 0.008 0.000 2.696 625 N HA -0.170 4.572 4.740 0.002 0.000 0.256 625 N C -0.088 175.372 175.510 -0.084 0.000 1.031 625 N CA 0.384 53.401 53.050 -0.056 0.000 0.730 625 N CB -0.526 37.891 38.487 -0.118 0.000 0.894 625 N HN 0.108 nan 8.380 nan 0.000 0.544 626 V N 2.038 121.849 119.914 -0.172 0.000 2.540 626 V HA 0.032 4.153 4.120 0.002 0.000 0.297 626 V C 0.863 176.759 176.094 -0.330 0.000 1.024 626 V CA 0.504 62.518 62.300 -0.477 0.000 1.105 626 V CB 0.183 31.666 31.823 -0.565 0.000 0.938 626 V HN 0.470 nan 8.190 nan 0.000 0.482 627 H N 2.762 121.456 119.070 -0.626 0.000 3.037 627 H HA 0.407 4.965 4.556 0.002 0.000 0.355 627 H C 0.255 175.380 175.328 -0.339 0.000 1.263 627 H CA -0.411 55.378 56.048 -0.432 0.000 1.129 627 H CB 0.949 30.425 29.762 -0.476 0.000 1.861 627 H HN 0.760 nan 8.280 nan 0.000 0.546 628 H N -1.462 117.505 119.070 -0.172 0.000 3.898 628 H HA -0.168 4.389 4.556 0.002 0.000 0.171 628 H C -0.222 175.044 175.328 -0.103 0.000 0.920 628 H CA 1.351 57.322 56.048 -0.127 0.000 1.238 628 H CB -0.749 28.924 29.762 -0.147 0.000 0.997 628 H HN 0.803 nan 8.280 nan 0.000 0.380 629 T N 1.025 115.549 114.554 -0.049 0.000 2.863 629 T HA 0.421 4.772 4.350 0.002 0.000 0.285 629 T C 0.390 175.111 174.700 0.034 0.000 1.009 629 T CA 0.016 62.126 62.100 0.017 0.000 0.989 629 T CB 1.453 70.323 68.868 0.003 0.000 1.004 629 T HN 0.336 nan 8.240 nan 0.000 0.455 630 T N 2.248 116.887 114.554 0.140 0.000 2.828 630 T HA 0.560 4.912 4.350 0.002 0.000 0.290 630 T C 0.193 175.023 174.700 0.217 0.000 1.019 630 T CA -0.728 61.486 62.100 0.190 0.000 1.031 630 T CB 0.375 69.431 68.868 0.312 0.000 1.001 630 T HN 0.485 nan 8.240 nan 0.000 0.531 631 L N 2.070 123.449 121.223 0.259 0.000 2.594 631 L HA 0.338 4.680 4.340 0.002 0.000 0.245 631 L C -2.285 174.852 176.870 0.446 0.000 1.460 631 L CA -2.080 52.929 54.840 0.282 0.000 0.865 631 L CB 1.221 43.378 42.059 0.164 0.000 1.131 631 L HN 0.526 nan 8.230 nan 0.000 0.506 632 P HA 0.200 nan 4.420 nan 0.000 0.269 632 P C -0.838 176.786 177.300 0.539 0.000 1.215 632 P CA 0.223 63.605 63.100 0.470 0.000 0.780 632 P CB 0.881 32.823 31.700 0.403 0.000 0.898 633 F N -1.569 118.580 119.950 0.331 0.000 2.741 633 F HA 0.800 5.329 4.527 0.002 0.000 0.311 633 F C -2.023 173.969 175.800 0.321 0.000 1.149 633 F CA -1.306 56.879 58.000 0.308 0.000 0.930 633 F CB 0.734 39.876 39.000 0.236 0.000 1.312 633 F HN 0.536 nan 8.300 nan 0.000 0.450 634 A N 1.560 124.594 122.820 0.357 0.000 2.527 634 A HA 0.752 5.074 4.320 0.002 0.000 0.293 634 A C -1.777 175.903 177.584 0.159 0.000 1.117 634 A CA -1.090 51.119 52.037 0.286 0.000 0.723 634 A CB 2.048 21.218 19.000 0.283 0.000 1.313 634 A HN 0.927 nan 8.150 nan 0.000 0.411 635 K N 0.962 121.202 120.400 -0.266 0.000 2.265 635 K HA 0.623 4.944 4.320 0.002 0.000 0.267 635 K C -1.720 174.689 176.600 -0.319 0.000 0.994 635 K CA -0.304 55.685 56.287 -0.496 0.000 0.860 635 K CB 1.262 33.099 32.500 -1.106 0.000 1.099 635 K HN 0.415 nan 8.250 nan 0.000 0.448 636 V N 4.782 124.610 119.914 -0.142 0.000 2.409 636 V HA 0.417 4.538 4.120 0.002 0.000 0.290 636 V C 0.757 176.815 176.094 -0.061 0.000 1.017 636 V CA 0.053 62.315 62.300 -0.063 0.000 0.841 636 V CB 0.569 32.391 31.823 -0.002 0.000 1.003 636 V HN 1.176 nan 8.190 nan 0.000 0.426 637 G N 4.951 113.720 108.800 -0.051 0.000 2.622 637 G HA2 -0.282 3.680 3.960 0.002 0.000 0.307 637 G HA3 -0.282 3.680 3.960 0.002 0.000 0.307 637 G C 0.409 175.279 174.900 -0.051 0.000 1.226 637 G CA 0.693 45.770 45.100 -0.038 0.000 0.997 637 G HN 0.623 nan 8.290 nan 0.000 0.551 638 D N 2.065 122.442 120.400 -0.038 0.000 2.340 638 D HA 0.219 4.861 4.640 0.002 0.000 0.220 638 D C 0.079 176.351 176.300 -0.046 0.000 1.039 638 D CA 0.581 54.563 54.000 -0.029 0.000 0.866 638 D CB 0.101 40.892 40.800 -0.014 0.000 0.913 638 D HN 0.320 nan 8.370 nan 0.000 0.523 639 D N 0.298 120.657 120.400 -0.068 0.000 2.192 639 D HA 0.292 4.934 4.640 0.002 0.000 0.246 639 D C 0.315 176.552 176.300 -0.105 0.000 1.042 639 D CA -0.462 53.490 54.000 -0.079 0.000 0.847 639 D CB 2.086 42.846 40.800 -0.066 0.000 1.186 639 D HN -0.071 nan 8.370 nan 0.000 0.461 640 L N 2.274 123.426 121.223 -0.118 0.000 2.331 640 L HA 0.400 4.742 4.340 0.002 0.000 0.278 640 L C 0.169 177.023 176.870 -0.027 0.000 1.106 640 L CA -0.361 54.430 54.840 -0.081 0.000 0.824 640 L CB 0.589 42.547 42.059 -0.168 0.000 1.142 640 L HN 0.188 nan 8.230 nan 0.000 0.443 641 I N 5.127 125.744 120.570 0.078 0.000 2.382 641 I HA 0.349 4.520 4.170 0.002 0.000 0.285 641 I C -0.007 176.205 176.117 0.159 0.000 1.007 641 I CA -0.348 60.994 61.300 0.070 0.000 1.142 641 I CB 1.364 39.443 38.000 0.132 0.000 1.289 641 I HN 0.623 nan 8.210 nan 0.000 0.453 642 M N 4.158 123.770 119.600 0.020 0.000 2.598 642 M HA 0.688 5.169 4.480 0.002 0.000 0.317 642 M C -1.749 174.516 176.300 -0.058 0.000 1.179 642 M CA -0.491 54.899 55.300 0.151 0.000 0.936 642 M CB 2.410 35.109 32.600 0.165 0.000 1.713 642 M HN 0.181 nan 8.290 nan 0.000 0.460 643 F N 0.002 119.975 119.950 0.038 0.000 2.551 643 F HA 0.899 5.427 4.527 0.002 0.000 0.316 643 F C 0.331 176.005 175.800 -0.210 0.000 1.089 643 F CA -0.391 57.444 58.000 -0.275 0.000 0.915 643 F CB 2.641 40.971 39.000 -1.117 0.000 1.186 643 F HN 0.869 nan 8.300 nan 0.000 0.456 644 G N 0.129 108.958 108.800 0.049 0.000 2.684 644 G HA2 0.635 4.596 3.960 0.002 0.000 0.290 644 G HA3 0.635 4.596 3.960 0.002 0.000 0.290 644 G C -1.869 173.190 174.900 0.266 0.000 1.425 644 G CA -0.919 44.306 45.100 0.208 0.000 0.822 644 G HN 0.554 nan 8.290 nan 0.000 0.482 645 S N -0.033 115.898 115.700 0.385 0.000 2.575 645 S HA 0.409 4.880 4.470 0.002 0.000 0.278 645 S C -0.382 174.445 174.600 0.379 0.000 1.139 645 S CA -0.884 57.516 58.200 0.333 0.000 0.954 645 S CB 1.735 65.107 63.200 0.287 0.000 1.054 645 S HN 0.919 nan 8.310 nan 0.000 0.483 646 E N 1.588 122.033 120.200 0.408 0.000 2.398 646 E HA 0.477 4.829 4.350 0.002 0.000 0.263 646 E C 0.843 177.536 176.600 0.155 0.000 1.046 646 E CA -0.506 56.070 56.400 0.292 0.000 0.908 646 E CB 0.664 30.561 29.700 0.328 0.000 0.963 646 E HN 0.548 nan 8.360 nan 0.000 0.431 647 A N 2.576 125.445 122.820 0.082 0.000 2.021 647 A HA 0.293 4.615 4.320 0.002 0.000 0.216 647 A C 0.883 178.394 177.584 -0.122 0.000 1.163 647 A CA 1.045 53.087 52.037 0.009 0.000 0.676 647 A CB -0.080 18.899 19.000 -0.035 0.000 0.818 647 A HN 0.773 nan 8.150 nan 0.000 0.453 648 A N -0.961 121.772 122.820 -0.144 0.000 2.587 648 A HA 0.568 4.890 4.320 0.002 0.000 0.293 648 A C -0.538 177.032 177.584 -0.024 0.000 1.087 648 A CA -0.492 51.407 52.037 -0.231 0.000 0.692 648 A CB 0.471 19.113 19.000 -0.597 0.000 1.291 648 A HN 0.239 nan 8.150 nan 0.000 0.407 649 E N 0.549 120.774 120.200 0.043 0.000 2.452 649 E HA 0.105 4.457 4.350 0.002 0.000 0.261 649 E C -0.055 176.608 176.600 0.105 0.000 0.987 649 E CA 0.878 57.341 56.400 0.104 0.000 0.926 649 E CB -0.154 29.633 29.700 0.145 0.000 0.934 649 E HN 0.658 nan 8.360 nan 0.000 0.452 650 N N 2.725 121.508 118.700 0.138 0.000 2.776 650 N HA -0.204 4.537 4.740 0.002 0.000 0.250 650 N C -0.243 175.343 175.510 0.127 0.000 1.112 650 N CA 0.760 53.894 53.050 0.139 0.000 0.733 650 N CB -0.464 38.091 38.487 0.113 0.000 1.097 650 N HN 0.603 nan 8.380 nan 0.000 0.558 651 E N -0.895 119.386 120.200 0.135 0.000 2.460 651 E HA -0.028 4.323 4.350 0.002 0.000 0.200 651 E C 1.250 177.895 176.600 0.075 0.000 1.011 651 E CA -0.273 56.197 56.400 0.116 0.000 0.912 651 E CB 0.090 29.849 29.700 0.099 0.000 0.953 651 E HN 0.444 nan 8.360 nan 0.000 0.494 652 W N 2.698 123.947 121.300 -0.085 0.000 2.338 652 W HA -0.129 4.532 4.660 0.002 0.000 0.304 652 W C 0.148 176.579 176.519 -0.147 0.000 1.212 652 W CA 1.254 58.466 57.345 -0.222 0.000 1.264 652 W CB 0.161 29.494 29.460 -0.211 0.000 1.142 652 W HN -0.044 nan 8.180 nan 0.000 0.512 653 E N 0.198 120.482 120.200 0.140 0.000 2.404 653 E HA 0.267 4.618 4.350 0.002 0.000 0.261 653 E C 0.193 176.815 176.600 0.037 0.000 1.074 653 E CA 0.065 56.500 56.400 0.060 0.000 0.917 653 E CB 0.585 30.307 29.700 0.037 0.000 0.965 653 E HN 0.068 nan 8.360 nan 0.000 0.433 654 A N 1.678 124.489 122.820 -0.015 0.000 2.520 654 A HA 0.412 4.733 4.320 0.002 0.000 0.245 654 A C 1.347 178.892 177.584 -0.065 0.000 1.072 654 A CA 0.533 52.539 52.037 -0.051 0.000 0.761 654 A CB -0.690 18.323 19.000 0.022 0.000 1.004 654 A HN 0.876 nan 8.150 nan 0.000 0.499 655 G N 0.800 109.528 108.800 -0.119 0.000 2.179 655 G HA2 0.107 4.069 3.960 0.002 0.000 0.260 655 G HA3 0.107 4.069 3.960 0.002 0.000 0.260 655 G C 0.591 175.456 174.900 -0.058 0.000 0.977 655 G CA 0.493 45.540 45.100 -0.088 0.000 0.641 655 G HN 2.244 nan 8.290 nan 0.000 0.533 656 A N 1.619 124.417 122.820 -0.036 0.000 2.451 656 A HA 0.643 4.964 4.320 0.002 0.000 0.266 656 A C -0.997 176.597 177.584 0.017 0.000 1.119 656 A CA -0.506 51.540 52.037 0.015 0.000 0.786 656 A CB 0.328 19.369 19.000 0.068 0.000 1.061 656 A HN 0.290 nan 8.150 nan 0.000 0.503 657 P HA 0.194 nan 4.420 nan 0.000 0.274 657 P C -0.802 176.540 177.300 0.070 0.000 1.231 657 P CA -0.445 62.677 63.100 0.035 0.000 0.790 657 P CB 0.558 32.278 31.700 0.033 0.000 0.951 658 D N 1.005 121.459 120.400 0.090 0.000 2.488 658 D HA 0.067 4.708 4.640 0.002 0.000 0.238 658 D C -0.043 176.293 176.300 0.060 0.000 1.138 658 D CA 1.053 55.111 54.000 0.096 0.000 0.873 658 D CB 0.055 40.916 40.800 0.102 0.000 1.183 658 D HN 0.281 nan 8.370 nan 0.000 0.458 659 D N 1.852 122.268 120.400 0.027 0.000 2.400 659 D HA 0.154 4.796 4.640 0.002 0.000 0.272 659 D C -0.518 175.786 176.300 0.006 0.000 1.220 659 D CA -0.593 53.432 54.000 0.042 0.000 0.897 659 D CB 0.270 41.103 40.800 0.055 0.000 1.134 659 D HN 0.060 nan 8.370 nan 0.000 0.507 660 R N 1.247 121.770 120.500 0.038 0.000 2.893 660 R HA 0.411 4.753 4.340 0.002 0.000 0.245 660 R C 0.166 176.612 176.300 0.245 0.000 1.192 660 R CA -0.742 55.376 56.100 0.029 0.000 1.077 660 R CB 0.185 30.364 30.300 -0.203 0.000 1.253 660 R HN 0.477 nan 8.270 nan 0.000 0.505 661 Y N -1.260 119.218 120.300 0.297 0.000 4.490 661 Y HA -0.345 4.207 4.550 0.003 0.000 0.233 661 Y C 0.061 176.043 175.900 0.136 0.000 1.101 661 Y CA 1.271 59.474 58.100 0.172 0.000 2.010 661 Y CB -1.445 37.076 38.460 0.101 0.000 1.622 661 Y HN 0.588 nan 8.280 nan 0.000 0.675 662 K N -0.659 119.921 120.400 0.299 0.000 2.546 662 K HA 0.890 5.212 4.320 0.002 0.000 0.264 662 K C -0.762 175.948 176.600 0.185 0.000 0.937 662 K CA -0.551 55.853 56.287 0.196 0.000 0.833 662 K CB 1.793 34.398 32.500 0.174 0.000 1.378 662 K HN 0.151 nan 8.250 nan 0.000 0.432 663 A N 1.530 124.407 122.820 0.094 0.000 2.462 663 A HA 0.549 4.871 4.320 0.002 0.000 0.243 663 A C -0.073 177.599 177.584 0.148 0.000 1.076 663 A CA 0.420 52.497 52.037 0.066 0.000 0.773 663 A CB -0.119 18.943 19.000 0.103 0.000 1.010 663 A HN 1.020 nan 8.150 nan 0.000 0.493 664 S N 0.464 116.230 115.700 0.109 0.000 2.672 664 S HA 0.622 5.093 4.470 0.002 0.000 0.271 664 S C -1.328 173.204 174.600 -0.113 0.000 1.171 664 S CA -0.603 57.672 58.200 0.125 0.000 0.817 664 S CB 0.613 63.936 63.200 0.204 0.000 1.150 664 S HN 0.548 nan 8.310 nan 0.000 0.478 665 Y N 1.919 122.273 120.300 0.091 0.000 2.915 665 Y HA 0.439 4.990 4.550 0.002 0.000 0.350 665 Y C -2.447 173.473 175.900 0.034 0.000 1.061 665 Y CA -1.956 56.168 58.100 0.041 0.000 1.179 665 Y CB 1.202 39.679 38.460 0.029 0.000 1.180 665 Y HN 0.427 nan 8.280 nan 0.000 0.605 666 P HA 0.079 nan 4.420 nan 0.000 0.268 666 P C -0.438 176.881 177.300 0.031 0.000 1.204 666 P CA -0.109 63.039 63.100 0.079 0.000 0.768 666 P CB 0.967 32.708 31.700 0.069 0.000 0.842 667 R N 1.350 121.835 120.500 -0.026 0.000 2.340 667 R HA 0.379 4.721 4.340 0.002 0.000 0.300 667 R C 0.356 176.418 176.300 -0.397 0.000 1.069 667 R CA -0.056 55.871 56.100 -0.288 0.000 0.984 667 R CB 0.306 30.311 30.300 -0.491 0.000 1.003 667 R HN 0.405 nan 8.270 nan 0.000 0.459 668 T N 3.850 118.136 114.554 -0.447 0.000 2.794 668 T HA 0.475 4.826 4.350 0.002 0.000 0.280 668 T C -0.738 173.591 174.700 -0.617 0.000 0.987 668 T CA -0.282 61.608 62.100 -0.350 0.000 0.993 668 T CB 0.448 69.246 68.868 -0.117 0.000 0.939 668 T HN 0.232 nan 8.240 nan 0.000 0.449 669 F N 2.251 122.018 119.950 -0.305 0.000 2.579 669 F HA 0.653 5.182 4.527 0.002 0.000 0.324 669 F C -0.309 175.442 175.800 -0.081 0.000 1.058 669 F CA -1.233 56.603 58.000 -0.274 0.000 0.944 669 F CB 1.459 40.105 39.000 -0.590 0.000 1.245 669 F HN 0.581 nan 8.300 nan 0.000 0.477 670 Y N 0.618 120.878 120.300 -0.067 0.000 2.570 670 Y HA 0.934 5.486 4.550 0.002 0.000 0.345 670 Y C -1.407 174.365 175.900 -0.213 0.000 1.014 670 Y CA -1.960 55.938 58.100 -0.337 0.000 1.063 670 Y CB 1.340 39.240 38.460 -0.933 0.000 1.272 670 Y HN 0.804 nan 8.280 nan 0.000 0.477 671 A N 3.255 125.719 122.820 -0.592 0.000 2.539 671 A HA 0.833 5.155 4.320 0.002 0.000 0.296 671 A C -1.364 175.883 177.584 -0.562 0.000 1.073 671 A CA -1.294 50.231 52.037 -0.854 0.000 0.700 671 A CB 1.645 19.824 19.000 -1.368 0.000 1.296 671 A HN 0.849 nan 8.150 nan 0.000 0.405 672 R N 0.170 120.369 120.500 -0.503 0.000 2.460 672 R HA 0.656 4.997 4.340 0.002 0.000 0.303 672 R C -1.454 174.673 176.300 -0.288 0.000 0.968 672 R CA -0.477 55.446 56.100 -0.296 0.000 0.889 672 R CB 1.851 32.022 30.300 -0.214 0.000 1.123 672 R HN 0.611 nan 8.270 nan 0.000 0.455 673 L N 2.774 123.870 121.223 -0.212 0.000 2.406 673 L HA 0.345 4.686 4.340 0.002 0.000 0.272 673 L C -0.819 175.975 176.870 -0.126 0.000 0.980 673 L CA -0.654 54.069 54.840 -0.194 0.000 0.831 673 L CB 1.681 43.615 42.059 -0.209 0.000 1.253 673 L HN 0.567 nan 8.230 nan 0.000 0.406 674 N N 3.643 122.284 118.700 -0.098 0.000 2.420 674 N HA 0.019 4.761 4.740 0.002 0.000 0.262 674 N C 1.088 176.622 175.510 0.041 0.000 1.144 674 N CA 0.134 53.161 53.050 -0.038 0.000 0.952 674 N CB 1.763 40.227 38.487 -0.039 0.000 1.081 674 N HN 0.659 nan 8.380 nan 0.000 0.480 675 V N 2.122 122.091 119.914 0.092 0.000 2.626 675 V HA -0.151 3.970 4.120 0.002 0.000 0.252 675 V C 1.393 177.626 176.094 0.231 0.000 1.067 675 V CA 1.571 64.024 62.300 0.255 0.000 1.081 675 V CB -0.667 31.313 31.823 0.261 0.000 0.686 675 V HN 0.578 nan 8.190 nan 0.000 0.468 676 N N 1.463 120.234 118.700 0.118 0.000 2.171 676 N HA -0.100 4.642 4.740 0.002 0.000 0.184 676 N C 1.627 177.201 175.510 0.106 0.000 1.021 676 N CA 1.476 54.576 53.050 0.084 0.000 0.854 676 N CB -0.339 38.172 38.487 0.040 0.000 0.994 676 N HN 0.485 nan 8.380 nan 0.000 0.426 677 N N 0.305 119.061 118.700 0.093 0.000 2.244 677 N HA -0.165 4.577 4.740 0.002 0.000 0.183 677 N C -0.057 175.543 175.510 0.151 0.000 1.016 677 N CA 0.365 53.461 53.050 0.077 0.000 0.866 677 N CB -0.296 38.199 38.487 0.013 0.000 0.980 677 N HN 0.365 nan 8.380 nan 0.000 0.430 678 W N 2.036 123.299 121.300 -0.062 0.000 6.840 678 W HA -0.256 4.406 4.660 0.003 0.000 0.413 678 W C -0.697 175.763 176.519 -0.100 0.000 1.605 678 W CA 0.449 57.749 57.345 -0.076 0.000 1.122 678 W CB -1.337 28.091 29.460 -0.052 0.000 2.811 678 W HN 0.135 nan 8.180 nan 0.000 1.578 679 N N 0.875 119.444 118.700 -0.218 0.000 2.478 679 N HA 0.456 5.198 4.740 0.002 0.000 0.291 679 N C 0.075 175.413 175.510 -0.287 0.000 1.090 679 N CA 0.414 53.319 53.050 -0.243 0.000 0.911 679 N CB 1.579 39.999 38.487 -0.112 0.000 1.546 679 N HN 0.017 nan 8.380 nan 0.000 0.500 680 A N 2.740 125.350 122.820 -0.349 0.000 2.387 680 A HA 0.147 4.469 4.320 0.002 0.000 0.234 680 A C 0.852 178.334 177.584 -0.169 0.000 1.253 680 A CA 0.045 51.904 52.037 -0.296 0.000 0.894 680 A CB 0.071 18.807 19.000 -0.441 0.000 0.963 680 A HN 0.720 nan 8.150 nan 0.000 0.508 681 D N 1.022 121.334 120.400 -0.146 0.000 2.149 681 D HA -0.113 4.529 4.640 0.002 0.000 0.198 681 D C 0.230 176.497 176.300 -0.055 0.000 0.990 681 D CA 1.239 55.183 54.000 -0.093 0.000 0.839 681 D CB -0.011 40.742 40.800 -0.079 0.000 0.948 681 D HN 0.373 nan 8.370 nan 0.000 0.460 682 D N 0.034 120.390 120.400 -0.073 0.000 2.463 682 D HA 0.113 4.755 4.640 0.002 0.000 0.224 682 D C 0.686 176.924 176.300 -0.102 0.000 1.174 682 D CA -0.349 53.618 54.000 -0.054 0.000 0.829 682 D CB 0.253 41.020 40.800 -0.056 0.000 0.993 682 D HN 0.251 nan 8.370 nan 0.000 0.497 683 I N 1.373 121.863 120.570 -0.133 0.000 2.775 683 I HA -0.116 4.055 4.170 0.002 0.000 0.290 683 I C 0.016 175.960 176.117 -0.287 0.000 1.203 683 I CA 0.513 61.650 61.300 -0.271 0.000 1.433 683 I CB 0.499 38.313 38.000 -0.309 0.000 1.354 683 I HN -0.148 nan 8.210 nan 0.000 0.579 684 E N 7.169 127.091 120.200 -0.464 0.000 2.101 684 E HA 0.157 4.509 4.350 0.002 0.000 0.260 684 E C -1.664 174.623 176.600 -0.521 0.000 0.897 684 E CA -0.438 55.668 56.400 -0.490 0.000 0.744 684 E CB 0.671 29.881 29.700 -0.817 0.000 1.140 684 E HN 0.490 nan 8.360 nan 0.000 0.419 685 W N 2.788 124.003 121.300 -0.141 0.000 2.388 685 W HA 0.226 4.887 4.660 0.002 0.000 0.308 685 W C -0.231 176.236 176.519 -0.087 0.000 1.263 685 W CA -0.550 56.657 57.345 -0.230 0.000 1.286 685 W CB 0.725 29.898 29.460 -0.479 0.000 1.294 685 W HN 0.179 nan 8.180 nan 0.000 0.493 686 V N 4.545 124.494 119.914 0.059 0.000 2.334 686 V HA 0.089 4.210 4.120 0.002 0.000 0.281 686 V C 0.039 176.158 176.094 0.041 0.000 1.016 686 V CA -1.155 61.161 62.300 0.026 0.000 0.832 686 V CB 0.983 32.738 31.823 -0.115 0.000 0.999 686 V HN 0.434 nan 8.190 nan 0.000 0.439 687 N N 4.596 123.184 118.700 -0.188 0.000 2.416 687 N HA 0.191 4.932 4.740 0.002 0.000 0.265 687 N C 0.645 176.033 175.510 -0.203 0.000 1.195 687 N CA -0.066 52.667 53.050 -0.527 0.000 0.943 687 N CB 0.629 38.616 38.487 -0.833 0.000 1.115 687 N HN 0.723 nan 8.380 nan 0.000 0.481 688 I N -0.282 120.175 120.570 -0.190 0.000 4.070 688 I HA 0.363 4.534 4.170 0.002 0.000 0.328 688 I C 0.487 176.561 176.117 -0.072 0.000 1.298 688 I CA -0.242 60.992 61.300 -0.110 0.000 1.173 688 I CB 0.385 38.226 38.000 -0.265 0.000 1.051 688 I HN 0.367 nan 8.210 nan 0.000 0.409 689 T N 0.117 114.610 114.554 -0.101 0.000 2.893 689 T HA 0.341 4.693 4.350 0.002 0.000 0.337 689 T C -2.117 172.561 174.700 -0.037 0.000 1.587 689 T CA -0.531 61.574 62.100 0.007 0.000 1.066 689 T CB 1.919 70.871 68.868 0.139 0.000 1.414 689 T HN 0.083 nan 8.240 nan 0.000 0.488 690 D N 2.235 122.640 120.400 0.008 0.000 2.350 690 D HA 0.699 5.341 4.640 0.002 0.000 0.245 690 D C -0.386 175.927 176.300 0.022 0.000 1.036 690 D CA -0.272 53.740 54.000 0.019 0.000 0.848 690 D CB 2.059 42.901 40.800 0.069 0.000 1.307 690 D HN 0.337 nan 8.370 nan 0.000 0.469 691 Q N 0.247 120.046 119.800 -0.001 0.000 2.385 691 Q HA 0.664 5.005 4.340 0.002 0.000 0.262 691 Q C -0.560 175.347 176.000 -0.156 0.000 1.050 691 Q CA -0.641 55.091 55.803 -0.118 0.000 0.903 691 Q CB 1.738 30.415 28.738 -0.102 0.000 1.325 691 Q HN 0.397 nan 8.270 nan 0.000 0.485 692 I N 0.865 121.254 120.570 -0.301 0.000 2.404 692 I HA 0.307 4.478 4.170 0.002 0.000 0.293 692 I C -1.201 174.748 176.117 -0.279 0.000 0.992 692 I CA -0.933 60.079 61.300 -0.479 0.000 1.149 692 I CB 1.234 38.803 38.000 -0.719 0.000 1.315 692 I HN 0.516 nan 8.210 nan 0.000 0.446 693 Y N 6.067 126.171 120.300 -0.327 0.000 2.331 693 Y HA 0.202 4.754 4.550 0.002 0.000 0.338 693 Y C 1.113 176.892 175.900 -0.203 0.000 0.976 693 Y CA -0.229 57.748 58.100 -0.205 0.000 1.137 693 Y CB 1.217 39.612 38.460 -0.109 0.000 1.172 693 Y HN 0.598 nan 8.280 nan 0.000 0.478 694 Q N 4.527 123.919 119.800 -0.681 0.000 2.079 694 Q HA -0.004 4.338 4.340 0.002 0.000 0.200 694 Q C 1.465 177.129 176.000 -0.560 0.000 0.974 694 Q CA 2.066 57.552 55.803 -0.528 0.000 0.840 694 Q CB -0.254 28.253 28.738 -0.386 0.000 0.898 694 Q HN 1.268 nan 8.270 nan 0.000 0.430 695 G N -1.627 106.578 108.800 -0.992 0.000 2.175 695 G HA2 -0.263 3.699 3.960 0.002 0.000 0.244 695 G HA3 -0.263 3.699 3.960 0.002 0.000 0.244 695 G C 0.855 175.674 174.900 -0.135 0.000 0.982 695 G CA 0.661 45.418 45.100 -0.572 0.000 0.641 695 G HN 0.588 nan 8.290 nan 0.000 0.527 696 G N 0.213 108.933 108.800 -0.133 0.000 2.484 696 G HA2 0.402 4.364 3.960 0.002 0.000 0.218 696 G HA3 0.402 4.364 3.960 0.002 0.000 0.218 696 G C 0.899 175.938 174.900 0.233 0.000 1.130 696 G CA 1.253 46.384 45.100 0.052 0.000 0.784 696 G HN 1.521 nan 8.290 nan 0.000 0.543 697 I N -4.310 116.336 120.570 0.128 0.000 3.042 697 I HA 0.552 4.723 4.170 0.002 0.000 0.310 697 I C 1.027 177.137 176.117 -0.011 0.000 1.117 697 I CA -1.097 60.323 61.300 0.200 0.000 1.003 697 I CB 1.952 40.022 38.000 0.116 0.000 1.228 697 I HN -0.218 nan 8.210 nan 0.000 0.443 698 V N 2.647 122.455 119.914 -0.177 0.000 2.515 698 V HA -0.108 4.013 4.120 0.002 0.000 0.250 698 V C 0.931 176.936 176.094 -0.148 0.000 1.058 698 V CA 1.571 63.603 62.300 -0.446 0.000 1.064 698 V CB -0.957 30.620 31.823 -0.410 0.000 0.675 698 V HN 0.891 nan 8.190 nan 0.000 0.461 699 N N 0.182 118.818 118.700 -0.108 0.000 2.503 699 N HA 0.318 5.059 4.740 0.002 0.000 0.267 699 N C -0.573 174.985 175.510 0.080 0.000 1.214 699 N CA 0.247 53.172 53.050 -0.207 0.000 0.959 699 N CB 1.186 39.260 38.487 -0.689 0.000 1.142 699 N HN 0.205 nan 8.380 nan 0.000 0.455 700 S N -0.631 115.139 115.700 0.117 0.000 2.500 700 S HA 0.554 5.026 4.470 0.002 0.000 0.301 700 S C 0.793 175.608 174.600 0.358 0.000 1.092 700 S CA -0.870 57.507 58.200 0.295 0.000 1.030 700 S CB 0.984 64.283 63.200 0.165 0.000 1.031 700 S HN 0.680 nan 8.310 nan 0.000 0.483 701 G N 2.540 111.500 108.800 0.266 0.000 2.985 701 G HA2 0.184 4.146 3.960 0.002 0.000 0.209 701 G HA3 0.184 4.146 3.960 0.002 0.000 0.209 701 G C 0.174 175.053 174.900 -0.034 0.000 1.165 701 G CA 0.009 45.138 45.100 0.048 0.000 0.776 701 G HN 0.638 nan 8.290 nan 0.000 0.541 702 V N 1.005 120.954 119.914 0.058 0.000 2.572 702 V HA 0.508 4.629 4.120 0.002 0.000 0.291 702 V C 1.375 177.561 176.094 0.154 0.000 1.039 702 V CA 0.877 63.227 62.300 0.083 0.000 1.055 702 V CB 0.060 31.941 31.823 0.098 0.000 0.969 702 V HN 0.755 nan 8.190 nan 0.000 0.482 703 G N 3.957 112.915 108.800 0.262 0.000 2.554 703 G HA2 -0.069 3.892 3.960 0.002 0.000 0.253 703 G HA3 -0.069 3.892 3.960 0.002 0.000 0.253 703 G C 0.362 175.421 174.900 0.266 0.000 1.172 703 G CA 0.218 45.534 45.100 0.360 0.000 0.950 703 G HN 2.223 nan 8.290 nan 0.000 0.557 704 V N -2.131 117.951 119.914 0.280 0.000 5.771 704 V HA 0.200 4.321 4.120 0.002 0.000 0.180 704 V C 0.996 177.275 176.094 0.309 0.000 0.710 704 V CA 1.937 64.418 62.300 0.301 0.000 0.522 704 V CB -1.826 30.181 31.823 0.306 0.000 0.231 704 V HN 2.557 nan 8.190 nan 0.000 0.424 705 G N 0.791 109.810 108.800 0.365 0.000 3.217 705 G HA2 0.824 4.785 3.960 0.002 0.000 0.213 705 G HA3 0.824 4.785 3.960 0.002 0.000 0.213 705 G C -0.492 174.611 174.900 0.339 0.000 1.294 705 G CA -0.330 44.949 45.100 0.298 0.000 0.987 705 G HN 1.596 nan 8.290 nan 0.000 0.584 706 S N -2.328 113.558 115.700 0.311 0.000 2.547 706 S HA 0.590 5.062 4.470 0.002 0.000 0.270 706 S C -1.696 173.083 174.600 0.298 0.000 1.150 706 S CA -0.419 57.949 58.200 0.281 0.000 0.850 706 S CB 1.825 65.147 63.200 0.203 0.000 1.118 706 S HN 0.706 nan 8.310 nan 0.000 0.461 707 V N 3.585 123.661 119.914 0.271 0.000 2.588 707 V HA 0.792 4.914 4.120 0.002 0.000 0.304 707 V C -0.355 175.881 176.094 0.236 0.000 1.042 707 V CA -0.507 61.952 62.300 0.265 0.000 0.877 707 V CB 1.616 33.621 31.823 0.303 0.000 0.996 707 V HN 0.898 nan 8.190 nan 0.000 0.425 708 V N 2.971 123.042 119.914 0.261 0.000 3.040 708 V HA 0.853 4.974 4.120 0.002 0.000 0.312 708 V C -0.876 175.421 176.094 0.339 0.000 1.115 708 V CA -0.799 61.656 62.300 0.259 0.000 0.998 708 V CB 2.217 34.149 31.823 0.181 0.000 1.042 708 V HN 0.473 nan 8.190 nan 0.000 0.433 709 V N 2.507 122.602 119.914 0.301 0.000 2.459 709 V HA 0.600 4.721 4.120 0.002 0.000 0.295 709 V C -0.105 176.155 176.094 0.277 0.000 1.029 709 V CA -0.499 61.990 62.300 0.316 0.000 0.874 709 V CB 1.503 33.477 31.823 0.252 0.000 0.985 709 V HN 1.025 nan 8.190 nan 0.000 0.438 710 K N 4.050 124.661 120.400 0.351 0.000 2.507 710 K HA 0.390 4.711 4.320 0.002 0.000 0.252 710 K C -0.520 176.241 176.600 0.268 0.000 0.943 710 K CA -0.400 56.034 56.287 0.244 0.000 0.808 710 K CB 1.222 33.795 32.500 0.121 0.000 1.142 710 K HN 0.852 nan 8.250 nan 0.000 0.426 711 D N 2.017 122.522 120.400 0.176 0.000 3.608 711 D HA -0.287 4.355 4.640 0.002 0.000 0.152 711 D C 0.024 176.401 176.300 0.128 0.000 0.971 711 D CA 1.111 55.200 54.000 0.148 0.000 1.072 711 D CB -0.398 40.498 40.800 0.159 0.000 0.507 711 D HN 0.648 nan 8.370 nan 0.000 0.520 712 N N 0.606 119.359 118.700 0.089 0.000 2.376 712 N HA 0.188 4.929 4.740 0.002 0.000 0.249 712 N C -1.010 174.306 175.510 -0.323 0.000 1.140 712 N CA 0.181 53.180 53.050 -0.085 0.000 0.870 712 N CB -0.141 38.260 38.487 -0.144 0.000 1.124 712 N HN 0.248 nan 8.380 nan 0.000 0.505 713 Y N -0.310 120.016 120.300 0.044 0.000 2.462 713 Y HA 0.490 5.042 4.550 0.002 0.000 0.346 713 Y C -0.060 175.818 175.900 -0.037 0.000 0.976 713 Y CA -0.880 57.174 58.100 -0.076 0.000 1.044 713 Y CB 2.132 40.459 38.460 -0.222 0.000 1.230 713 Y HN -0.116 nan 8.280 nan 0.000 0.455 714 I N 2.784 123.360 120.570 0.010 0.000 2.460 714 I HA 0.462 4.633 4.170 0.002 0.000 0.298 714 I C -1.648 174.405 176.117 -0.106 0.000 0.989 714 I CA -0.857 60.510 61.300 0.112 0.000 1.173 714 I CB 1.139 39.275 38.000 0.227 0.000 1.338 714 I HN 0.579 nan 8.210 nan 0.000 0.456 715 Y N 6.480 126.865 120.300 0.142 0.000 2.361 715 Y HA 0.328 4.880 4.550 0.002 0.000 0.337 715 Y C -1.073 174.847 175.900 0.032 0.000 0.965 715 Y CA -0.656 57.505 58.100 0.101 0.000 1.091 715 Y CB 1.448 39.982 38.460 0.124 0.000 1.182 715 Y HN 0.403 nan 8.280 nan 0.000 0.450 716 Y N 4.752 124.983 120.300 -0.115 0.000 2.402 716 Y HA 0.604 5.155 4.550 0.002 0.000 0.332 716 Y C -1.165 174.845 175.900 0.183 0.000 0.960 716 Y CA -1.906 56.061 58.100 -0.223 0.000 1.228 716 Y CB 0.718 38.619 38.460 -0.932 0.000 1.120 716 Y HN 0.642 nan 8.280 nan 0.000 0.491 717 M N 8.847 128.461 119.600 0.023 0.000 2.113 717 M HA 0.468 4.950 4.480 0.002 0.000 0.352 717 M C -1.227 175.023 176.300 -0.083 0.000 1.170 717 M CA -0.313 54.964 55.300 -0.039 0.000 1.053 717 M CB 0.683 33.254 32.600 -0.049 0.000 1.601 717 M HN 0.618 nan 8.290 nan 0.000 0.459 718 F N -0.169 119.533 119.950 -0.414 0.000 2.741 718 F HA 0.894 5.423 4.527 0.002 0.000 0.313 718 F C -0.290 175.400 175.800 -0.182 0.000 1.153 718 F CA -1.450 56.332 58.000 -0.363 0.000 0.931 718 F CB 0.664 39.227 39.000 -0.728 0.000 1.335 718 F HN 0.522 nan 8.300 nan 0.000 0.460 719 G N -0.259 108.453 108.800 -0.146 0.000 2.476 719 G HA2 0.551 4.513 3.960 0.002 0.000 0.269 719 G HA3 0.551 4.513 3.960 0.002 0.000 0.269 719 G C -0.596 174.186 174.900 -0.195 0.000 1.195 719 G CA -0.310 44.667 45.100 -0.204 0.000 0.843 719 G HN 1.284 nan 8.290 nan 0.000 0.545 720 G N 0.104 108.833 108.800 -0.118 0.000 2.704 720 G HA2 0.611 4.572 3.960 0.002 0.000 0.293 720 G HA3 0.611 4.572 3.960 0.002 0.000 0.293 720 G C -0.838 174.009 174.900 -0.088 0.000 1.421 720 G CA -0.640 44.355 45.100 -0.175 0.000 0.870 720 G HN 0.574 nan 8.290 nan 0.000 0.492 721 E N -0.823 119.275 120.200 -0.171 0.000 2.518 721 E HA 0.589 4.941 4.350 0.002 0.000 0.248 721 E C -0.774 175.670 176.600 -0.260 0.000 1.028 721 E CA -0.682 55.594 56.400 -0.207 0.000 0.922 721 E CB 1.457 31.014 29.700 -0.239 0.000 1.299 721 E HN 0.649 nan 8.360 nan 0.000 0.457 722 D N -1.944 118.266 120.400 -0.317 0.000 2.732 722 D HA 0.170 4.812 4.640 0.002 0.000 0.292 722 D C 0.231 176.219 176.300 -0.521 0.000 1.135 722 D CA -0.561 53.179 54.000 -0.433 0.000 1.071 722 D CB 0.236 40.828 40.800 -0.348 0.000 1.457 722 D HN 0.342 nan 8.370 nan 0.000 0.547 723 H N -0.996 117.803 119.070 -0.453 0.000 2.547 723 H HA 0.153 4.711 4.556 0.003 0.000 0.266 723 H C -0.164 174.982 175.328 -0.304 0.000 0.988 723 H CA 0.138 55.960 56.048 -0.376 0.000 1.147 723 H CB -0.233 29.349 29.762 -0.301 0.000 1.365 723 H HN 0.198 nan 8.280 nan 0.000 0.589 724 F N 2.049 121.938 119.950 -0.101 0.000 2.466 724 F HA 0.060 4.588 4.527 0.002 0.000 0.363 724 F C 1.248 176.820 175.800 -0.380 0.000 1.109 724 F CA -0.957 56.932 58.000 -0.185 0.000 1.161 724 F CB -0.115 38.804 39.000 -0.135 0.000 1.117 724 F HN -0.018 nan 8.300 nan 0.000 0.539 725 N N 6.081 124.498 118.700 -0.472 0.000 2.492 725 N HA 0.055 4.797 4.740 0.002 0.000 0.262 725 N C -1.550 173.334 175.510 -1.042 0.000 1.202 725 N CA -1.349 51.187 53.050 -0.857 0.000 0.926 725 N CB 1.318 38.949 38.487 -1.428 0.000 1.078 725 N HN 0.195 nan 8.380 nan 0.000 0.454 726 P HA -0.007 nan 4.420 nan 0.000 0.236 726 P C -0.596 176.595 177.300 -0.182 0.000 1.177 726 P CA 0.510 63.396 63.100 -0.357 0.000 0.773 726 P CB -0.128 31.550 31.700 -0.036 0.000 0.878 727 W N -1.320 119.995 121.300 0.025 0.000 4.949 727 W HA -0.167 4.494 4.660 0.003 0.000 0.380 727 W C 0.931 177.455 176.519 0.010 0.000 1.446 727 W CA 0.119 57.483 57.345 0.031 0.000 0.869 727 W CB -3.109 26.359 29.460 0.013 0.000 2.591 727 W HN -0.083 nan 8.180 nan 0.000 1.398 728 T N -1.492 113.124 114.554 0.103 0.000 2.857 728 T HA -0.139 4.212 4.350 0.002 0.000 0.266 728 T C 0.373 174.969 174.700 -0.174 0.000 1.048 728 T CA 1.184 63.235 62.100 -0.081 0.000 1.139 728 T CB -0.168 68.551 68.868 -0.249 0.000 0.874 728 T HN 0.140 nan 8.240 nan 0.000 0.455 729 Y N 1.293 121.709 120.300 0.194 0.000 2.700 729 Y HA 0.563 5.114 4.550 0.002 0.000 0.333 729 Y C 0.994 177.030 175.900 0.226 0.000 1.036 729 Y CA -0.427 57.779 58.100 0.177 0.000 1.287 729 Y CB 0.653 39.204 38.460 0.151 0.000 1.132 729 Y HN 0.301 nan 8.280 nan 0.000 0.510 730 G N 1.977 110.948 108.800 0.284 0.000 2.347 730 G HA2 -0.156 3.805 3.960 0.002 0.000 0.224 730 G HA3 -0.156 3.805 3.960 0.002 0.000 0.224 730 G C -0.578 174.396 174.900 0.124 0.000 1.318 730 G CA -0.172 45.048 45.100 0.200 0.000 1.016 730 G HN 0.461 nan 8.290 nan 0.000 0.469 731 D N -0.427 120.010 120.400 0.061 0.000 2.349 731 D HA 0.153 4.794 4.640 0.002 0.000 0.224 731 D C 0.805 177.150 176.300 0.075 0.000 1.029 731 D CA 0.608 54.624 54.000 0.028 0.000 0.879 731 D CB 0.233 40.996 40.800 -0.062 0.000 0.906 731 D HN 0.282 nan 8.370 nan 0.000 0.528 732 N N -0.017 118.766 118.700 0.137 0.000 2.610 732 N HA 0.023 4.764 4.740 0.002 0.000 0.307 732 N C 0.721 176.297 175.510 0.110 0.000 1.813 732 N CA 0.333 53.459 53.050 0.127 0.000 0.901 732 N CB 0.397 38.977 38.487 0.156 0.000 1.354 732 N HN 0.040 nan 8.380 nan 0.000 0.491 733 S N -1.105 114.645 115.700 0.083 0.000 2.440 733 S HA -0.168 4.304 4.470 0.002 0.000 0.240 733 S C 1.807 176.442 174.600 0.059 0.000 1.014 733 S CA 1.059 59.288 58.200 0.048 0.000 0.980 733 S CB -0.193 63.035 63.200 0.045 0.000 0.775 733 S HN 0.325 nan 8.310 nan 0.000 0.499 734 A N 1.409 124.275 122.820 0.076 0.000 2.167 734 A HA 0.214 4.535 4.320 0.002 0.000 0.214 734 A C 1.171 178.825 177.584 0.115 0.000 1.151 734 A CA 0.702 52.789 52.037 0.083 0.000 0.735 734 A CB -0.606 18.443 19.000 0.082 0.000 0.802 734 A HN 0.601 nan 8.150 nan 0.000 0.467 735 K N -0.387 120.100 120.400 0.146 0.000 3.230 735 K HA -0.169 4.152 4.320 0.002 0.000 0.285 735 K C -0.521 176.236 176.600 0.262 0.000 1.196 735 K CA 0.717 57.157 56.287 0.254 0.000 0.838 735 K CB -1.718 30.934 32.500 0.252 0.000 1.262 735 K HN 0.583 nan 8.250 nan 0.000 0.492 736 D N 0.920 121.407 120.400 0.146 0.000 2.502 736 D HA -0.003 4.638 4.640 0.002 0.000 0.249 736 D C -1.376 174.890 176.300 -0.056 0.000 1.188 736 D CA -1.609 52.448 54.000 0.095 0.000 0.890 736 D CB 0.966 41.831 40.800 0.108 0.000 1.140 736 D HN 0.006 nan 8.370 nan 0.000 0.505 737 P HA -0.047 nan 4.420 nan 0.000 0.223 737 P C 0.535 177.424 177.300 -0.685 0.000 1.151 737 P CA 0.787 63.526 63.100 -0.603 0.000 0.787 737 P CB 0.038 31.090 31.700 -1.080 0.000 0.788 738 F N -0.731 119.177 119.950 -0.070 0.000 2.693 738 F HA 0.190 4.718 4.527 0.002 0.000 0.303 738 F C 0.961 176.745 175.800 -0.026 0.000 1.097 738 F CA -0.089 57.879 58.000 -0.053 0.000 1.330 738 F CB -0.457 38.528 39.000 -0.026 0.000 1.067 738 F HN -0.296 nan 8.300 nan 0.000 0.565 739 K N 0.113 120.547 120.400 0.057 0.000 2.172 739 K HA 0.397 4.718 4.320 0.002 0.000 0.276 739 K C 0.969 177.582 176.600 0.023 0.000 1.013 739 K CA 0.064 56.380 56.287 0.048 0.000 0.913 739 K CB 1.574 34.107 32.500 0.056 0.000 1.055 739 K HN 0.063 nan 8.250 nan 0.000 0.461 740 S N 1.767 117.491 115.700 0.040 0.000 3.938 740 S HA -0.249 4.223 4.470 0.002 0.000 0.624 740 S C 0.361 174.940 174.600 -0.035 0.000 2.186 740 S CA 1.671 59.900 58.200 0.047 0.000 4.144 740 S CB -0.902 62.425 63.200 0.211 0.000 0.230 740 S HN 0.868 nan 8.310 nan 0.000 0.755 741 D N 2.717 123.073 120.400 -0.073 0.000 2.325 741 D HA 0.362 5.003 4.640 0.002 0.000 0.225 741 D C 1.336 177.529 176.300 -0.178 0.000 1.096 741 D CA 1.110 55.002 54.000 -0.180 0.000 0.844 741 D CB -0.278 40.321 40.800 -0.335 0.000 0.925 741 D HN 0.934 nan 8.370 nan 0.000 0.513 742 G N 1.344 110.008 108.800 -0.227 0.000 2.614 742 G HA2 -0.296 3.665 3.960 0.002 0.000 0.303 742 G HA3 -0.296 3.665 3.960 0.002 0.000 0.303 742 G C -0.342 174.255 174.900 -0.505 0.000 1.270 742 G CA -0.039 44.811 45.100 -0.416 0.000 0.988 742 G HN 0.495 nan 8.290 nan 0.000 0.551 743 H N 2.187 121.192 119.070 -0.108 0.000 2.467 743 H HA 0.452 5.009 4.556 0.003 0.000 0.326 743 H C -1.158 174.059 175.328 -0.185 0.000 1.094 743 H CA -1.244 54.727 56.048 -0.128 0.000 1.253 743 H CB 1.915 31.649 29.762 -0.046 0.000 1.439 743 H HN 0.329 nan 8.280 nan 0.000 0.479 744 P HA -0.093 nan 4.420 nan 0.000 0.226 744 P C 0.433 177.600 177.300 -0.221 0.000 1.153 744 P CA 0.479 63.486 63.100 -0.154 0.000 0.777 744 P CB 0.459 32.050 31.700 -0.181 0.000 0.794 745 S N 0.570 116.044 115.700 -0.377 0.000 2.505 745 S HA 0.206 4.677 4.470 0.002 0.000 0.276 745 S C -0.177 174.265 174.600 -0.264 0.000 1.274 745 S CA -0.156 57.806 58.200 -0.397 0.000 1.053 745 S CB -0.170 62.585 63.200 -0.741 0.000 0.919 745 S HN -0.027 nan 8.310 nan 0.000 0.490 746 D N 2.268 122.532 120.400 -0.227 0.000 2.579 746 D HA 0.383 5.024 4.640 0.002 0.000 0.257 746 D C -0.785 175.274 176.300 -0.400 0.000 1.176 746 D CA -0.487 53.331 54.000 -0.304 0.000 0.914 746 D CB 1.407 42.013 40.800 -0.323 0.000 1.431 746 D HN 0.408 nan 8.370 nan 0.000 0.454 747 L N 0.960 121.833 121.223 -0.584 0.000 2.343 747 L HA 0.461 4.802 4.340 0.002 0.000 0.275 747 L C -0.827 175.515 176.870 -0.880 0.000 1.056 747 L CA -0.570 53.894 54.840 -0.626 0.000 0.804 747 L CB 0.501 42.179 42.059 -0.636 0.000 1.203 747 L HN 0.296 nan 8.230 nan 0.000 0.440 748 Y N 0.411 120.303 120.300 -0.679 0.000 2.576 748 Y HA 0.507 5.058 4.550 0.002 0.000 0.346 748 Y C -0.305 175.307 175.900 -0.480 0.000 1.018 748 Y CA -0.774 56.955 58.100 -0.618 0.000 1.050 748 Y CB 2.084 40.086 38.460 -0.765 0.000 1.280 748 Y HN 0.477 nan 8.280 nan 0.000 0.474 749 C N 2.495 121.779 119.300 -0.026 0.000 2.432 749 C HA 0.477 4.939 4.460 0.002 0.000 0.334 749 C C -1.344 173.882 174.990 0.393 0.000 1.155 749 C CA -0.842 58.266 59.018 0.151 0.000 1.335 749 C CB -0.813 26.949 27.740 0.037 0.000 1.964 749 C HN 0.796 nan 8.230 nan 0.000 0.444 750 Y N 5.149 125.670 120.300 0.367 0.000 2.404 750 Y HA 0.387 4.939 4.550 0.002 0.000 0.344 750 Y C 0.453 176.446 175.900 0.155 0.000 0.995 750 Y CA 0.354 58.628 58.100 0.291 0.000 1.201 750 Y CB 0.373 38.997 38.460 0.272 0.000 1.151 750 Y HN 0.703 nan 8.280 nan 0.000 0.517 751 K N 8.334 128.633 120.400 -0.168 0.000 2.281 751 K HA 0.351 4.672 4.320 0.002 0.000 0.272 751 K C -1.175 175.288 176.600 -0.227 0.000 1.048 751 K CA -0.577 55.556 56.287 -0.256 0.000 0.898 751 K CB 0.517 32.904 32.500 -0.189 0.000 1.128 751 K HN 0.838 nan 8.250 nan 0.000 0.460 752 M N 4.627 124.212 119.600 -0.026 0.000 2.311 752 M HA 0.265 4.747 4.480 0.002 0.000 0.325 752 M C -1.040 175.307 176.300 0.078 0.000 1.061 752 M CA -0.733 54.641 55.300 0.122 0.000 0.957 752 M CB 1.421 34.180 32.600 0.266 0.000 1.646 752 M HN 0.469 nan 8.290 nan 0.000 0.434 753 K N 4.336 124.742 120.400 0.010 0.000 2.339 753 K HA 0.240 4.562 4.320 0.002 0.000 0.286 753 K C 0.057 176.528 176.600 -0.215 0.000 1.050 753 K CA -0.036 56.049 56.287 -0.337 0.000 0.956 753 K CB 0.407 32.723 32.500 -0.307 0.000 0.990 753 K HN 0.765 nan 8.250 nan 0.000 0.475 754 I N 0.427 120.843 120.570 -0.258 0.000 4.338 754 I HA 0.421 4.593 4.170 0.002 0.000 0.329 754 I C 0.292 176.336 176.117 -0.121 0.000 1.378 754 I CA -0.462 60.765 61.300 -0.122 0.000 1.170 754 I CB 1.192 39.167 38.000 -0.041 0.000 1.206 754 I HN 0.534 nan 8.210 nan 0.000 0.432 755 G N 0.132 108.821 108.800 -0.185 0.000 2.645 755 G HA2 0.634 4.595 3.960 0.002 0.000 0.292 755 G HA3 0.634 4.595 3.960 0.002 0.000 0.292 755 G C -3.361 171.449 174.900 -0.151 0.000 1.415 755 G CA -1.481 43.542 45.100 -0.128 0.000 0.785 755 G HN -0.222 nan 8.290 nan 0.000 0.483 756 P HA 0.181 nan 4.420 nan 0.000 0.268 756 P C -1.016 176.249 177.300 -0.058 0.000 1.205 756 P CA 0.072 63.132 63.100 -0.067 0.000 0.771 756 P CB 0.835 32.513 31.700 -0.036 0.000 0.858 757 D N 2.373 122.753 120.400 -0.033 0.000 2.454 757 D HA 0.130 4.772 4.640 0.002 0.000 0.225 757 D C -0.167 176.151 176.300 0.030 0.000 1.081 757 D CA -0.217 53.796 54.000 0.023 0.000 0.864 757 D CB -0.168 40.681 40.800 0.081 0.000 1.040 757 D HN 0.181 nan 8.370 nan 0.000 0.517 758 N N 2.337 121.054 118.700 0.028 0.000 2.276 758 N HA 0.124 4.866 4.740 0.002 0.000 0.212 758 N C 0.006 175.532 175.510 0.028 0.000 1.127 758 N CA -0.058 53.005 53.050 0.022 0.000 0.834 758 N CB 0.665 39.162 38.487 0.016 0.000 1.014 758 N HN 0.104 nan 8.380 nan 0.000 0.491 759 R N -0.081 120.442 120.500 0.039 0.000 2.854 759 R HA 0.462 4.804 4.340 0.002 0.000 0.271 759 R C -0.438 175.884 176.300 0.038 0.000 0.996 759 R CA -0.939 55.183 56.100 0.036 0.000 0.961 759 R CB 1.815 32.139 30.300 0.041 0.000 1.182 759 R HN -0.107 nan 8.270 nan 0.000 0.479 760 V N 1.251 121.183 119.914 0.031 0.000 3.139 760 V HA -0.052 4.069 4.120 0.002 0.000 0.307 760 V C 0.830 176.945 176.094 0.035 0.000 1.095 760 V CA 0.303 62.621 62.300 0.030 0.000 1.160 760 V CB 1.529 33.367 31.823 0.025 0.000 1.003 760 V HN 0.778 nan 8.190 nan 0.000 0.489 761 S N 2.067 117.788 115.700 0.034 0.000 2.560 761 S HA 0.136 4.607 4.470 0.002 0.000 0.284 761 S C 0.864 175.484 174.600 0.033 0.000 1.327 761 S CA -0.226 57.993 58.200 0.032 0.000 1.055 761 S CB 0.208 63.424 63.200 0.027 0.000 0.868 761 S HN 0.628 nan 8.310 nan 0.000 0.506 762 R N 1.628 122.141 120.500 0.022 0.000 2.362 762 R HA 0.305 4.646 4.340 0.002 0.000 0.227 762 R C -0.519 175.804 176.300 0.039 0.000 0.905 762 R CA -0.097 56.027 56.100 0.040 0.000 1.067 762 R CB 0.002 30.314 30.300 0.020 0.000 1.078 762 R HN 0.531 nan 8.270 nan 0.000 0.516 763 D N 0.940 121.329 120.400 -0.018 0.000 2.424 763 D HA 0.098 4.739 4.640 0.002 0.000 0.244 763 D C -0.197 176.098 176.300 -0.007 0.000 1.134 763 D CA 0.510 54.445 54.000 -0.108 0.000 0.881 763 D CB 0.456 41.209 40.800 -0.077 0.000 1.191 763 D HN 0.028 nan 8.370 nan 0.000 0.445 764 F N -1.100 118.877 119.950 0.046 0.000 2.603 764 F HA 0.548 5.076 4.527 0.002 0.000 0.317 764 F C -0.082 175.761 175.800 0.072 0.000 1.066 764 F CA -1.564 56.464 58.000 0.047 0.000 0.941 764 F CB 1.317 40.340 39.000 0.038 0.000 1.291 764 F HN 0.023 nan 8.300 nan 0.000 0.472 765 R N 1.830 122.502 120.500 0.288 0.000 2.308 765 R HA 0.283 4.624 4.340 0.002 0.000 0.305 765 R C -1.601 174.926 176.300 0.377 0.000 1.053 765 R CA -0.595 55.652 56.100 0.245 0.000 0.957 765 R CB 0.639 31.020 30.300 0.135 0.000 1.022 765 R HN 0.907 nan 8.270 nan 0.000 0.461 766 Y N 3.459 123.921 120.300 0.270 0.000 2.480 766 Y HA 0.260 4.811 4.550 0.002 0.000 0.341 766 Y C 0.726 176.691 175.900 0.108 0.000 1.031 766 Y CA 0.655 58.891 58.100 0.227 0.000 1.295 766 Y CB 1.210 39.804 38.460 0.224 0.000 1.162 766 Y HN 0.865 nan 8.280 nan 0.000 0.523 767 G N 4.302 112.966 108.800 -0.225 0.000 3.441 767 G HA2 0.381 4.342 3.960 0.002 0.000 0.263 767 G HA3 0.381 4.342 3.960 0.002 0.000 0.263 767 G C 0.041 174.773 174.900 -0.279 0.000 1.014 767 G CA 0.265 45.267 45.100 -0.163 0.000 0.833 767 G HN 0.837 nan 8.290 nan 0.000 0.514 768 A N 0.130 122.580 122.820 -0.617 0.000 2.304 768 A HA 0.609 4.931 4.320 0.002 0.000 0.271 768 A C 0.236 177.698 177.584 -0.203 0.000 1.091 768 A CA -0.269 51.499 52.037 -0.448 0.000 0.812 768 A CB 0.920 19.572 19.000 -0.580 0.000 1.056 768 A HN 0.282 nan 8.150 nan 0.000 0.489 769 V N 3.295 123.155 119.914 -0.089 0.000 2.450 769 V HA 0.129 4.251 4.120 0.002 0.000 0.281 769 V C -1.952 174.170 176.094 0.047 0.000 1.019 769 V CA -0.625 61.673 62.300 -0.003 0.000 1.062 769 V CB 0.315 32.124 31.823 -0.022 0.000 0.979 769 V HN 0.732 nan 8.190 nan 0.000 0.477 770 P HA 0.144 nan 4.420 nan 0.000 0.265 770 P C 0.007 177.333 177.300 0.044 0.000 1.222 770 P CA 0.263 63.458 63.100 0.159 0.000 0.767 770 P CB 0.242 32.026 31.700 0.141 0.000 0.801 771 N N 2.464 121.176 118.700 0.021 0.000 2.466 771 N HA 0.103 4.844 4.740 0.002 0.000 0.272 771 N C 0.715 176.215 175.510 -0.016 0.000 1.455 771 N CA -0.069 52.951 53.050 -0.051 0.000 0.875 771 N CB 0.220 38.627 38.487 -0.133 0.000 1.372 771 N HN 0.029 nan 8.380 nan 0.000 0.492 772 R N -0.260 120.245 120.500 0.008 0.000 2.103 772 R HA 0.359 4.700 4.340 0.002 0.000 0.212 772 R C 1.765 178.059 176.300 -0.010 0.000 1.107 772 R CA 0.932 57.038 56.100 0.010 0.000 1.025 772 R CB -0.994 29.313 30.300 0.012 0.000 0.929 772 R HN 0.175 nan 8.270 nan 0.000 0.456 773 A N 0.986 123.795 122.820 -0.018 0.000 1.855 773 A HA -0.015 4.306 4.320 0.002 0.000 0.215 773 A C 0.886 178.440 177.584 -0.050 0.000 1.191 773 A CA 1.147 53.160 52.037 -0.039 0.000 0.613 773 A CB -0.050 18.930 19.000 -0.034 0.000 0.829 773 A HN 0.050 nan 8.150 nan 0.000 0.442 774 V N 1.384 121.275 119.914 -0.039 0.000 2.266 774 V HA 0.269 4.390 4.120 0.002 0.000 0.266 774 V C -2.851 173.215 176.094 -0.046 0.000 1.036 774 V CA -1.508 60.771 62.300 -0.035 0.000 0.828 774 V CB 0.813 32.623 31.823 -0.022 0.000 1.081 774 V HN 0.194 nan 8.190 nan 0.000 0.449 775 P HA 0.228 nan 4.420 nan 0.000 0.270 775 P C -0.474 176.730 177.300 -0.160 0.000 1.242 775 P CA 0.266 63.329 63.100 -0.061 0.000 0.768 775 P CB 0.967 32.766 31.700 0.165 0.000 0.820 776 V N 5.506 125.128 119.914 -0.487 0.000 2.555 776 V HA 0.534 4.655 4.120 0.002 0.000 0.302 776 V C -0.396 175.138 176.094 -0.934 0.000 1.038 776 V CA -0.355 61.675 62.300 -0.450 0.000 0.887 776 V CB 1.148 32.802 31.823 -0.282 0.000 0.991 776 V HN 0.322 nan 8.190 nan 0.000 0.434 777 F N 3.122 123.046 119.950 -0.043 0.000 2.561 777 F HA 0.554 5.083 4.527 0.002 0.000 0.313 777 F C -0.425 175.359 175.800 -0.026 0.000 1.126 777 F CA -0.676 57.333 58.000 0.015 0.000 0.918 777 F CB 1.528 40.539 39.000 0.020 0.000 1.199 777 F HN 0.272 nan 8.300 nan 0.000 0.444 778 F N 2.695 122.711 119.950 0.110 0.000 2.494 778 F HA 0.124 4.652 4.527 0.002 0.000 0.369 778 F C 0.976 176.828 175.800 0.086 0.000 1.098 778 F CA 0.049 58.091 58.000 0.070 0.000 1.154 778 F CB -0.049 38.972 39.000 0.034 0.000 1.103 778 F HN 0.445 nan 8.300 nan 0.000 0.549 779 D N 1.358 121.848 120.400 0.150 0.000 2.393 779 D HA -0.032 4.610 4.640 0.002 0.000 0.246 779 D C 1.573 177.939 176.300 0.109 0.000 1.275 779 D CA 0.311 54.376 54.000 0.109 0.000 0.979 779 D CB 1.053 41.889 40.800 0.059 0.000 1.101 779 D HN 0.580 nan 8.370 nan 0.000 0.505 780 T N -1.337 113.259 114.554 0.071 0.000 3.025 780 T HA -0.172 4.180 4.350 0.002 0.000 0.270 780 T C 1.287 176.019 174.700 0.054 0.000 1.126 780 T CA 0.957 63.092 62.100 0.057 0.000 1.105 780 T CB -0.078 68.811 68.868 0.035 0.000 0.884 780 T HN 0.252 nan 8.240 nan 0.000 0.522 781 N N 0.876 119.609 118.700 0.056 0.000 2.280 781 N HA 0.224 4.966 4.740 0.002 0.000 0.192 781 N C 1.333 176.887 175.510 0.073 0.000 1.109 781 N CA 0.669 53.749 53.050 0.050 0.000 0.855 781 N CB -0.191 38.316 38.487 0.033 0.000 0.974 781 N HN 0.583 nan 8.380 nan 0.000 0.482 782 G N -0.551 108.320 108.800 0.118 0.000 2.132 782 G HA2 -0.214 3.747 3.960 0.002 0.000 0.234 782 G HA3 -0.214 3.747 3.960 0.002 0.000 0.234 782 G C -0.495 174.536 174.900 0.219 0.000 0.989 782 G CA 0.384 45.603 45.100 0.199 0.000 0.676 782 G HN 0.203 nan 8.290 nan 0.000 0.522 783 V N 0.610 120.574 119.914 0.084 0.000 2.435 783 V HA 0.505 4.627 4.120 0.002 0.000 0.290 783 V C 1.058 177.022 176.094 -0.217 0.000 1.030 783 V CA -1.104 61.169 62.300 -0.044 0.000 0.881 783 V CB 1.564 33.373 31.823 -0.023 0.000 0.983 783 V HN 0.390 nan 8.190 nan 0.000 0.445 784 R N 2.329 122.557 120.500 -0.453 0.000 2.502 784 R HA 0.298 4.640 4.340 0.002 0.000 0.292 784 R C -0.189 175.981 176.300 -0.216 0.000 0.998 784 R CA 0.373 56.151 56.100 -0.538 0.000 1.056 784 R CB 0.132 30.134 30.300 -0.496 0.000 0.939 784 R HN 0.752 nan 8.270 nan 0.000 0.411 785 T N 2.443 116.924 114.554 -0.122 0.000 2.812 785 T HA 0.301 4.652 4.350 0.002 0.000 0.282 785 T C -0.617 174.134 174.700 0.083 0.000 0.990 785 T CA -0.659 61.443 62.100 0.003 0.000 0.960 785 T CB 1.797 70.695 68.868 0.051 0.000 0.948 785 T HN 0.149 nan 8.240 nan 0.000 0.438 786 V N 6.188 126.142 119.914 0.067 0.000 2.334 786 V HA 0.295 4.416 4.120 0.002 0.000 0.281 786 V C -1.624 174.530 176.094 0.100 0.000 1.016 786 V CA -1.354 61.005 62.300 0.099 0.000 0.832 786 V CB 1.303 33.164 31.823 0.064 0.000 0.999 786 V HN 0.755 nan 8.190 nan 0.000 0.439 787 P HA 0.245 nan 4.420 nan 0.000 0.245 787 P C 0.438 177.764 177.300 0.042 0.000 1.203 787 P CA 0.163 63.298 63.100 0.060 0.000 0.792 787 P CB 0.454 32.163 31.700 0.015 0.000 0.997 788 A N 2.010 124.864 122.820 0.057 0.000 2.371 788 A HA 0.479 4.800 4.320 0.002 0.000 0.257 788 A C -2.023 175.571 177.584 0.017 0.000 1.089 788 A CA -1.079 50.975 52.037 0.028 0.000 0.794 788 A CB -0.656 18.359 19.000 0.024 0.000 1.029 788 A HN 0.038 nan 8.150 nan 0.000 0.488 789 P HA 0.402 nan 4.420 nan 0.000 0.275 789 P C -0.793 176.493 177.300 -0.023 0.000 1.227 789 P CA 0.253 63.353 63.100 -0.000 0.000 0.781 789 P CB 0.753 32.448 31.700 -0.008 0.000 0.906 790 M N 1.424 121.016 119.600 -0.013 0.000 2.484 790 M HA 0.314 4.796 4.480 0.002 0.000 0.289 790 M C -0.427 175.831 176.300 -0.069 0.000 1.206 790 M CA -0.651 54.596 55.300 -0.088 0.000 0.892 790 M CB 3.083 35.611 32.600 -0.121 0.000 1.712 790 M HN 0.196 nan 8.290 nan 0.000 0.462 791 E N 2.137 122.230 120.200 -0.179 0.000 2.165 791 E HA 0.448 4.800 4.350 0.002 0.000 0.266 791 E C -1.634 174.833 176.600 -0.223 0.000 0.889 791 E CA -0.206 56.136 56.400 -0.096 0.000 0.756 791 E CB 1.763 31.426 29.700 -0.062 0.000 1.131 791 E HN 0.422 nan 8.360 nan 0.000 0.411 792 F N 1.255 121.192 119.950 -0.022 0.000 2.361 792 F HA 0.135 4.663 4.527 0.003 0.000 0.364 792 F C 1.643 177.434 175.800 -0.016 0.000 1.117 792 F CA -0.414 57.568 58.000 -0.030 0.000 1.071 792 F CB 1.475 40.455 39.000 -0.034 0.000 1.188 792 F HN 0.345 nan 8.300 nan 0.000 0.464 793 T N -0.817 113.796 114.554 0.099 0.000 3.037 793 T HA 0.254 4.605 4.350 0.002 0.000 0.251 793 T C 1.012 175.753 174.700 0.068 0.000 1.079 793 T CA 0.156 62.307 62.100 0.084 0.000 1.067 793 T CB -0.059 68.864 68.868 0.091 0.000 0.948 793 T HN 0.547 nan 8.240 nan 0.000 0.496 794 G N 1.154 109.979 108.800 0.041 0.000 2.507 794 G HA2 0.437 4.398 3.960 0.002 0.000 0.271 794 G HA3 0.437 4.398 3.960 0.002 0.000 0.271 794 G C -0.933 173.989 174.900 0.038 0.000 1.189 794 G CA -0.635 44.474 45.100 0.015 0.000 0.859 794 G HN 0.227 nan 8.290 nan 0.000 0.542 795 D N -0.116 120.301 120.400 0.029 0.000 2.493 795 D HA 0.122 4.763 4.640 0.002 0.000 0.240 795 D C 0.255 176.558 176.300 0.006 0.000 1.142 795 D CA 0.766 54.780 54.000 0.023 0.000 0.872 795 D CB 1.051 41.866 40.800 0.025 0.000 1.173 795 D HN 0.052 nan 8.370 nan 0.000 0.467 796 L N 1.428 122.645 121.223 -0.010 0.000 2.329 796 L HA 0.568 4.909 4.340 0.002 0.000 0.279 796 L C 0.849 177.691 176.870 -0.046 0.000 1.014 796 L CA -0.836 53.975 54.840 -0.047 0.000 0.814 796 L CB 2.064 44.066 42.059 -0.096 0.000 1.257 796 L HN 0.332 nan 8.230 nan 0.000 0.424 797 G N 3.834 112.602 108.800 -0.053 0.000 2.416 797 G HA2 0.702 4.663 3.960 0.002 0.000 0.324 797 G HA3 0.702 4.663 3.960 0.002 0.000 0.324 797 G C -0.965 173.894 174.900 -0.068 0.000 1.194 797 G CA -0.407 44.664 45.100 -0.048 0.000 0.922 797 G HN 0.359 nan 8.290 nan 0.000 0.467 798 L N 1.901 123.083 121.223 -0.068 0.000 2.341 798 L HA 0.690 5.032 4.340 0.002 0.000 0.267 798 L C 1.126 177.963 176.870 -0.056 0.000 1.009 798 L CA -1.031 53.763 54.840 -0.076 0.000 0.819 798 L CB 2.131 44.133 42.059 -0.095 0.000 1.323 798 L HN 0.665 nan 8.230 nan 0.000 0.425 799 G N -0.911 107.864 108.800 -0.042 0.000 3.086 799 G HA2 0.043 4.005 3.960 0.002 0.000 0.159 799 G HA3 0.043 4.005 3.960 0.002 0.000 0.159 799 G C -0.206 174.686 174.900 -0.012 0.000 1.654 799 G CA -0.232 44.860 45.100 -0.013 0.000 1.078 799 G HN 0.638 nan 8.290 nan 0.000 0.558 800 H N -0.097 118.947 119.070 -0.043 0.000 2.929 800 H HA 0.294 4.851 4.556 0.002 0.000 0.317 800 H C -0.886 174.416 175.328 -0.044 0.000 1.031 800 H CA 0.213 56.236 56.048 -0.042 0.000 1.466 800 H CB 0.494 30.235 29.762 -0.036 0.000 1.482 800 H HN -0.040 nan 8.280 nan 0.000 0.561 801 V N 5.751 125.370 119.914 -0.491 0.000 2.487 801 V HA 0.171 4.292 4.120 0.002 0.000 0.298 801 V C 0.025 175.955 176.094 -0.273 0.000 1.028 801 V CA -0.712 61.433 62.300 -0.257 0.000 0.860 801 V CB 1.949 33.662 31.823 -0.184 0.000 0.991 801 V HN 0.828 nan 8.190 nan 0.000 0.427 802 T N 6.110 120.626 114.554 -0.063 0.000 2.770 802 T HA 0.552 4.903 4.350 0.002 0.000 0.283 802 T C -0.269 174.421 174.700 -0.017 0.000 0.988 802 T CA -0.316 61.780 62.100 -0.008 0.000 0.957 802 T CB 0.905 69.818 68.868 0.076 0.000 0.930 802 T HN 0.319 nan 8.240 nan 0.000 0.443 803 I N 4.210 124.767 120.570 -0.021 0.000 2.297 803 I HA 0.317 4.489 4.170 0.002 0.000 0.291 803 I C 0.885 177.001 176.117 -0.001 0.000 1.033 803 I CA -0.520 60.772 61.300 -0.013 0.000 1.253 803 I CB 0.417 38.408 38.000 -0.016 0.000 1.396 803 I HN 0.428 nan 8.210 nan 0.000 0.476 804 R N 3.680 124.181 120.500 0.002 0.000 2.543 804 R HA 0.580 4.921 4.340 0.002 0.000 0.268 804 R C 0.131 176.434 176.300 0.005 0.000 1.067 804 R CA -0.712 55.391 56.100 0.006 0.000 1.142 804 R CB 0.952 31.256 30.300 0.007 0.000 1.110 804 R HN 0.691 nan 8.270 nan 0.000 0.549 805 A N 0.876 123.700 122.820 0.006 0.000 2.546 805 A HA 0.077 4.399 4.320 0.002 0.000 0.243 805 A C 0.910 178.497 177.584 0.005 0.000 1.063 805 A CA 0.572 52.612 52.037 0.005 0.000 0.757 805 A CB 0.024 19.026 19.000 0.005 0.000 0.991 805 A HN 0.882 nan 8.150 nan 0.000 0.503 806 S N 0.490 116.193 115.700 0.005 0.000 2.546 806 S HA 0.222 4.694 4.470 0.002 0.000 0.282 806 S C 0.323 174.926 174.600 0.005 0.000 1.074 806 S CA 0.573 58.776 58.200 0.005 0.000 1.254 806 S CB 0.262 63.466 63.200 0.006 0.000 1.103 806 S HN 0.724 nan 8.310 nan 0.000 0.589 807 T N 1.772 116.329 114.554 0.005 0.000 2.886 807 T HA 0.694 5.045 4.350 0.002 0.000 0.292 807 T C -0.644 174.059 174.700 0.005 0.000 1.012 807 T CA 0.096 62.200 62.100 0.006 0.000 0.982 807 T CB 1.524 70.396 68.868 0.007 0.000 1.018 807 T HN 0.512 nan 8.240 nan 0.000 0.451 808 S N 2.373 118.077 115.700 0.005 0.000 3.727 808 S HA -0.191 4.280 4.470 0.002 0.000 0.444 808 S C 0.690 175.293 174.600 0.004 0.000 0.867 808 S CA 0.742 58.945 58.200 0.005 0.000 1.324 808 S CB -1.624 61.579 63.200 0.005 0.000 0.890 808 S HN 1.317 nan 8.310 nan 0.000 0.599 809 S N 1.234 116.936 115.700 0.003 0.000 3.641 809 S HA -0.223 4.248 4.470 0.002 0.000 0.346 809 S C 0.485 175.087 174.600 0.002 0.000 1.074 809 S CA 1.037 59.238 58.200 0.002 0.000 1.026 809 S CB -1.397 61.804 63.200 0.002 0.000 0.908 809 S HN 1.163 nan 8.310 nan 0.000 0.479 810 N N -1.412 117.289 118.700 0.003 0.000 2.714 810 N HA -0.225 4.517 4.740 0.002 0.000 0.250 810 N C 0.512 176.024 175.510 0.003 0.000 1.117 810 N CA 1.118 54.170 53.050 0.003 0.000 0.719 810 N CB -1.498 36.990 38.487 0.002 0.000 1.081 810 N HN 0.784 nan 8.380 nan 0.000 0.557 811 I N -0.414 120.157 120.570 0.003 0.000 2.546 811 I HA -0.123 4.049 4.170 0.002 0.000 0.255 811 I C 1.120 177.239 176.117 0.004 0.000 1.163 811 I CA 0.880 62.182 61.300 0.003 0.000 1.457 811 I CB 0.238 38.239 38.000 0.003 0.000 1.092 811 I HN 0.263 nan 8.210 nan 0.000 0.434 812 R N -0.132 120.371 120.500 0.005 0.000 2.808 812 R HA 0.494 4.835 4.340 0.002 0.000 0.272 812 R C -0.685 175.619 176.300 0.006 0.000 0.995 812 R CA -0.635 55.468 56.100 0.005 0.000 0.917 812 R CB 1.219 31.523 30.300 0.006 0.000 1.217 812 R HN 0.005 nan 8.270 nan 0.000 0.471 813 S N 0.114 115.818 115.700 0.006 0.000 2.610 813 S HA 0.369 4.840 4.470 0.002 0.000 0.273 813 S C -0.392 174.212 174.600 0.007 0.000 1.274 813 S CA -0.732 57.472 58.200 0.006 0.000 1.023 813 S CB 1.366 64.569 63.200 0.005 0.000 0.962 813 S HN 0.754 nan 8.310 nan 0.000 0.523 814 E N 0.805 121.009 120.200 0.007 0.000 2.291 814 E HA 0.524 4.876 4.350 0.002 0.000 0.276 814 E C -2.037 174.569 176.600 0.009 0.000 0.896 814 E CA -0.740 55.666 56.400 0.009 0.000 0.774 814 E CB 1.761 31.467 29.700 0.010 0.000 1.227 814 E HN 0.537 nan 8.360 nan 0.000 0.413 815 V N 5.509 125.429 119.914 0.010 0.000 2.540 815 V HA 0.482 4.604 4.120 0.002 0.000 0.302 815 V C -0.365 175.739 176.094 0.016 0.000 1.035 815 V CA -0.661 61.646 62.300 0.011 0.000 0.873 815 V CB 1.493 33.322 31.823 0.009 0.000 0.992 815 V HN 0.659 nan 8.190 nan 0.000 0.428 816 L N 5.336 126.570 121.223 0.018 0.000 2.365 816 L HA 0.651 4.992 4.340 0.002 0.000 0.273 816 L C -0.527 176.357 176.870 0.024 0.000 1.000 816 L CA -0.496 54.357 54.840 0.021 0.000 0.819 816 L CB 2.089 44.160 42.059 0.021 0.000 1.284 816 L HN 0.497 nan 8.230 nan 0.000 0.418 817 M N 2.689 122.306 119.600 0.027 0.000 2.227 817 M HA 0.427 4.908 4.480 0.002 0.000 0.335 817 M C -0.390 175.927 176.300 0.028 0.000 1.053 817 M CA -0.458 54.859 55.300 0.028 0.000 0.973 817 M CB 2.308 34.930 32.600 0.037 0.000 1.623 817 M HN 0.570 nan 8.290 nan 0.000 0.434 818 E N 1.025 121.238 120.200 0.020 0.000 2.961 818 E HA 0.789 5.141 4.350 0.002 0.000 0.254 818 E C 0.263 176.863 176.600 0.001 0.000 1.192 818 E CA -0.452 55.959 56.400 0.017 0.000 1.069 818 E CB 1.115 30.827 29.700 0.019 0.000 1.338 818 E HN 0.868 nan 8.360 nan 0.000 0.596 819 G N 0.693 109.492 108.800 -0.002 0.000 2.796 819 G HA2 -0.306 3.655 3.960 0.002 0.000 0.571 819 G HA3 -0.306 3.655 3.960 0.002 0.000 0.571 819 G C 0.473 175.380 174.900 0.012 0.000 1.370 819 G CA 0.225 45.312 45.100 -0.023 0.000 0.856 819 G HN 0.672 nan 8.290 nan 0.000 0.538 820 E N -0.998 119.216 120.200 0.023 0.000 2.077 820 E HA -0.035 4.316 4.350 0.002 0.000 0.193 820 E C 0.914 177.630 176.600 0.193 0.000 0.989 820 E CA 1.887 58.354 56.400 0.112 0.000 0.800 820 E CB -0.056 29.749 29.700 0.175 0.000 0.746 820 E HN 0.904 nan 8.360 nan 0.000 0.452 821 Y N -2.663 117.667 120.300 0.050 0.000 2.588 821 Y HA 0.681 5.232 4.550 0.002 0.000 0.343 821 Y C -0.227 175.722 175.900 0.081 0.000 1.065 821 Y CA -0.994 57.144 58.100 0.063 0.000 1.038 821 Y CB 0.970 39.470 38.460 0.067 0.000 1.297 821 Y HN -0.126 nan 8.280 nan 0.000 0.467 822 G N 1.144 110.056 108.800 0.187 0.000 2.434 822 G HA2 0.563 4.525 3.960 0.002 0.000 0.330 822 G HA3 0.563 4.525 3.960 0.002 0.000 0.330 822 G C -2.328 172.765 174.900 0.322 0.000 1.155 822 G CA -0.832 44.351 45.100 0.138 0.000 0.917 822 G HN 0.804 nan 8.290 nan 0.000 0.493 823 F N 1.347 121.355 119.950 0.097 0.000 2.562 823 F HA 0.615 5.143 4.527 0.002 0.000 0.319 823 F C -0.894 174.959 175.800 0.088 0.000 1.154 823 F CA -1.033 57.048 58.000 0.135 0.000 0.931 823 F CB 1.490 40.583 39.000 0.156 0.000 1.198 823 F HN 0.251 nan 8.300 nan 0.000 0.444 824 I N 6.212 126.497 120.570 -0.475 0.000 2.355 824 I HA 0.609 4.780 4.170 0.002 0.000 0.288 824 I C 0.218 175.889 176.117 -0.743 0.000 0.999 824 I CA -0.473 60.569 61.300 -0.429 0.000 1.163 824 I CB 1.323 39.257 38.000 -0.110 0.000 1.316 824 I HN 0.740 nan 8.210 nan 0.000 0.454 825 G N 4.466 112.845 108.800 -0.702 0.000 3.015 825 G HA2 0.677 4.638 3.960 0.002 0.000 0.281 825 G HA3 0.677 4.638 3.960 0.002 0.000 0.281 825 G C -1.594 173.227 174.900 -0.133 0.000 1.386 825 G CA -0.541 44.282 45.100 -0.461 0.000 0.959 825 G HN 0.372 nan 8.290 nan 0.000 0.522 826 K N 0.292 120.676 120.400 -0.027 0.000 2.463 826 K HA 0.538 4.860 4.320 0.002 0.000 0.255 826 K C 0.396 177.010 176.600 0.022 0.000 0.942 826 K CA -0.446 55.829 56.287 -0.021 0.000 0.814 826 K CB 1.361 33.836 32.500 -0.042 0.000 1.122 826 K HN 0.743 nan 8.250 nan 0.000 0.425 827 S N 3.855 119.562 115.700 0.012 0.000 2.576 827 S HA 0.266 4.738 4.470 0.002 0.000 0.272 827 S C 0.539 175.147 174.600 0.013 0.000 1.352 827 S CA -0.593 57.620 58.200 0.023 0.000 1.021 827 S CB 0.067 63.273 63.200 0.012 0.000 0.887 827 S HN 0.550 nan 8.310 nan 0.000 0.542 828 I N 2.727 123.309 120.570 0.019 0.000 2.505 828 I HA 0.195 4.367 4.170 0.002 0.000 0.287 828 I C -2.003 174.116 176.117 0.003 0.000 1.104 828 I CA -1.783 59.524 61.300 0.013 0.000 1.387 828 I CB -0.156 37.854 38.000 0.018 0.000 1.404 828 I HN 0.477 nan 8.210 nan 0.000 0.528 829 P HA 0.045 nan 4.420 nan 0.000 0.266 829 P C 0.564 177.861 177.300 -0.004 0.000 1.195 829 P CA 0.017 63.111 63.100 -0.010 0.000 0.768 829 P CB 0.599 32.289 31.700 -0.017 0.000 0.838 830 T N -0.338 114.213 114.554 -0.005 0.000 2.896 830 T HA -0.061 4.291 4.350 0.002 0.000 0.263 830 T C 0.875 175.573 174.700 -0.003 0.000 1.050 830 T CA 1.315 63.413 62.100 -0.003 0.000 1.140 830 T CB -0.241 68.625 68.868 -0.003 0.000 0.877 830 T HN 0.428 nan 8.240 nan 0.000 0.457 831 D N 0.659 121.056 120.400 -0.006 0.000 2.338 831 D HA 0.060 4.702 4.640 0.002 0.000 0.224 831 D C 0.990 177.287 176.300 -0.005 0.000 0.967 831 D CA 0.565 54.562 54.000 -0.005 0.000 0.896 831 D CB 0.000 40.796 40.800 -0.007 0.000 1.028 831 D HN 0.311 nan 8.370 nan 0.000 0.493 832 N N 1.047 119.743 118.700 -0.008 0.000 2.918 832 N HA 0.106 4.848 4.740 0.002 0.000 0.270 832 N C -2.022 173.484 175.510 -0.007 0.000 1.536 832 N CA -1.484 51.562 53.050 -0.007 0.000 0.877 832 N CB 1.516 39.997 38.487 -0.010 0.000 1.190 832 N HN -0.195 nan 8.380 nan 0.000 0.492 833 P HA -0.116 nan 4.420 nan 0.000 0.219 833 P C 1.105 178.408 177.300 0.005 0.000 1.146 833 P CA 0.793 63.894 63.100 0.001 0.000 0.808 833 P CB 0.186 31.889 31.700 0.006 0.000 0.779 834 A N 0.020 122.845 122.820 0.008 0.000 2.178 834 A HA 0.013 4.335 4.320 0.002 0.000 0.218 834 A C 2.291 179.886 177.584 0.017 0.000 1.157 834 A CA 1.615 53.663 52.037 0.018 0.000 0.689 834 A CB -1.508 17.503 19.000 0.019 0.000 0.787 834 A HN 0.347 nan 8.150 nan 0.000 0.465 835 G N -1.601 107.195 108.800 -0.007 0.000 2.986 835 G HA2 0.143 4.104 3.960 0.002 0.000 0.213 835 G HA3 0.143 4.104 3.960 0.002 0.000 0.213 835 G C 0.600 175.454 174.900 -0.077 0.000 1.156 835 G CA 0.098 45.176 45.100 -0.037 0.000 0.763 835 G HN 0.572 nan 8.290 nan 0.000 0.547 836 Q N 1.437 121.209 119.800 -0.047 0.000 2.478 836 Q HA 0.090 4.432 4.340 0.002 0.000 0.323 836 Q C 0.254 176.187 176.000 -0.112 0.000 1.087 836 Q CA 0.504 56.273 55.803 -0.058 0.000 1.056 836 Q CB 0.063 28.793 28.738 -0.014 0.000 1.018 836 Q HN 0.621 nan 8.270 nan 0.000 0.387 837 R N 2.903 123.307 120.500 -0.161 0.000 2.765 837 R HA 0.463 4.804 4.340 0.002 0.000 0.277 837 R C -1.644 174.526 176.300 -0.217 0.000 1.028 837 R CA -0.883 55.077 56.100 -0.234 0.000 0.860 837 R CB 0.686 30.686 30.300 -0.501 0.000 1.270 837 R HN 0.442 nan 8.270 nan 0.000 0.484 838 I N 2.144 122.580 120.570 -0.223 0.000 2.433 838 I HA 0.414 4.585 4.170 0.002 0.000 0.292 838 I C -0.170 175.720 176.117 -0.379 0.000 1.001 838 I CA -1.129 59.960 61.300 -0.352 0.000 1.119 838 I CB 2.064 39.771 38.000 -0.488 0.000 1.289 838 I HN 0.413 nan 8.210 nan 0.000 0.438 839 I N 6.119 126.454 120.570 -0.390 0.000 2.304 839 I HA 0.294 4.466 4.170 0.002 0.000 0.291 839 I C -0.770 175.133 176.117 -0.355 0.000 1.018 839 I CA -0.261 60.886 61.300 -0.256 0.000 1.260 839 I CB 0.494 38.399 38.000 -0.159 0.000 1.390 839 I HN 0.315 nan 8.210 nan 0.000 0.475 840 F N 5.543 125.468 119.950 -0.041 0.000 2.421 840 F HA 0.524 5.053 4.527 0.002 0.000 0.337 840 F C 0.256 176.048 175.800 -0.014 0.000 1.105 840 F CA -0.522 57.461 58.000 -0.029 0.000 1.049 840 F CB 1.503 40.489 39.000 -0.024 0.000 1.139 840 F HN 0.389 nan 8.300 nan 0.000 0.479 841 C N 1.746 121.123 119.300 0.128 0.000 2.783 841 C HA 0.636 5.097 4.460 0.002 0.000 0.312 841 C C 1.141 176.168 174.990 0.061 0.000 1.182 841 C CA -0.404 58.659 59.018 0.075 0.000 1.432 841 C CB 0.978 28.737 27.740 0.032 0.000 1.933 841 C HN 1.023 nan 8.230 nan 0.000 0.473 842 G N 2.321 111.150 108.800 0.047 0.000 2.920 842 G HA2 0.452 4.413 3.960 0.002 0.000 0.208 842 G HA3 0.452 4.413 3.960 0.002 0.000 0.208 842 G C 0.582 175.495 174.900 0.021 0.000 1.159 842 G CA 0.822 45.941 45.100 0.031 0.000 0.784 842 G HN 1.230 nan 8.290 nan 0.000 0.535 843 G N -0.475 108.338 108.800 0.021 0.000 3.105 843 G HA2 0.461 4.422 3.960 0.002 0.000 0.277 843 G HA3 0.461 4.422 3.960 0.002 0.000 0.277 843 G C 0.568 175.476 174.900 0.013 0.000 1.375 843 G CA 0.088 45.196 45.100 0.015 0.000 0.962 843 G HN 0.021 nan 8.290 nan 0.000 0.541 844 E N -0.642 119.564 120.200 0.011 0.000 2.478 844 E HA 0.218 4.569 4.350 0.002 0.000 0.194 844 E C 0.762 177.369 176.600 0.011 0.000 1.045 844 E CA 0.550 56.957 56.400 0.012 0.000 0.868 844 E CB 0.522 30.230 29.700 0.012 0.000 0.885 844 E HN 0.606 nan 8.360 nan 0.000 0.505 845 G N 0.335 109.139 108.800 0.006 0.000 2.725 845 G HA2 0.294 4.256 3.960 0.002 0.000 0.288 845 G HA3 0.294 4.256 3.960 0.002 0.000 0.288 845 G C 0.539 175.437 174.900 -0.003 0.000 1.399 845 G CA 0.054 45.156 45.100 0.002 0.000 0.859 845 G HN -0.002 nan 8.290 nan 0.000 0.479 846 T N -2.309 112.239 114.554 -0.010 0.000 2.962 846 T HA 0.012 4.363 4.350 0.002 0.000 0.270 846 T C 1.570 176.266 174.700 -0.006 0.000 1.088 846 T CA 1.289 63.379 62.100 -0.017 0.000 1.127 846 T CB -0.169 68.683 68.868 -0.026 0.000 0.883 846 T HN 0.717 nan 8.240 nan 0.000 0.493 847 S N 1.875 117.575 115.700 -0.000 0.000 2.533 847 S HA 0.204 4.675 4.470 0.002 0.000 0.282 847 S C 1.504 176.111 174.600 0.012 0.000 1.304 847 S CA -0.045 58.159 58.200 0.006 0.000 1.063 847 S CB 0.507 63.710 63.200 0.006 0.000 0.881 847 S HN 0.607 nan 8.310 nan 0.000 0.493 848 S N 3.091 118.803 115.700 0.019 0.000 2.555 848 S HA -0.088 4.384 4.470 0.002 0.000 0.230 848 S C 1.796 176.408 174.600 0.021 0.000 0.978 848 S CA 0.912 59.127 58.200 0.026 0.000 0.934 848 S CB -0.950 62.274 63.200 0.039 0.000 0.766 848 S HN 0.949 nan 8.310 nan 0.000 0.533 849 T N 0.124 114.688 114.554 0.016 0.000 2.929 849 T HA -0.135 4.216 4.350 0.002 0.000 0.271 849 T C 1.903 176.608 174.700 0.010 0.000 1.085 849 T CA 1.679 63.787 62.100 0.012 0.000 1.125 849 T CB -1.327 67.547 68.868 0.010 0.000 0.874 849 T HN 0.661 nan 8.240 nan 0.000 0.494 850 T N -1.842 112.718 114.554 0.010 0.000 3.067 850 T HA 0.500 4.852 4.350 0.002 0.000 0.261 850 T C 0.966 175.672 174.700 0.010 0.000 1.110 850 T CA 0.292 62.397 62.100 0.009 0.000 1.113 850 T CB -0.165 68.708 68.868 0.008 0.000 0.917 850 T HN 0.840 nan 8.240 nan 0.000 0.499 851 G N -0.039 108.769 108.800 0.013 0.000 2.338 851 G HA2 0.534 4.496 3.960 0.002 0.000 0.295 851 G HA3 0.534 4.496 3.960 0.002 0.000 0.295 851 G C -1.125 173.788 174.900 0.021 0.000 1.461 851 G CA -0.602 44.506 45.100 0.014 0.000 0.817 851 G HN 0.485 nan 8.290 nan 0.000 0.556 852 A N -0.248 122.583 122.820 0.018 0.000 2.498 852 A HA 0.607 4.928 4.320 0.002 0.000 0.239 852 A C 0.351 177.973 177.584 0.063 0.000 1.068 852 A CA 0.477 52.533 52.037 0.031 0.000 0.766 852 A CB 0.228 19.234 19.000 0.011 0.000 1.003 852 A HN 0.645 nan 8.150 nan 0.000 0.497 853 Q N 0.507 120.361 119.800 0.089 0.000 2.394 853 Q HA 0.665 5.007 4.340 0.002 0.000 0.273 853 Q C -1.389 174.694 176.000 0.139 0.000 1.089 853 Q CA -0.436 55.432 55.803 0.108 0.000 0.812 853 Q CB 2.554 31.343 28.738 0.084 0.000 1.353 853 Q HN 0.717 nan 8.270 nan 0.000 0.438 854 I N 1.296 121.955 120.570 0.149 0.000 2.466 854 I HA 0.349 4.521 4.170 0.002 0.000 0.289 854 I C -0.751 175.464 176.117 0.163 0.000 1.026 854 I CA -0.511 60.850 61.300 0.101 0.000 1.078 854 I CB 2.299 40.328 38.000 0.049 0.000 1.249 854 I HN 0.478 nan 8.210 nan 0.000 0.429 855 T N 7.107 121.712 114.554 0.086 0.000 2.809 855 T HA 0.504 4.856 4.350 0.002 0.000 0.296 855 T C -0.200 174.586 174.700 0.145 0.000 1.015 855 T CA -0.476 61.686 62.100 0.104 0.000 0.954 855 T CB 0.723 69.636 68.868 0.075 0.000 0.950 855 T HN 0.264 nan 8.240 nan 0.000 0.450 856 L N 4.120 125.429 121.223 0.144 0.000 2.265 856 L HA 0.459 4.801 4.340 0.002 0.000 0.288 856 L C -0.546 176.393 176.870 0.115 0.000 1.058 856 L CA -0.883 54.050 54.840 0.156 0.000 0.809 856 L CB 0.288 42.451 42.059 0.174 0.000 1.179 856 L HN 0.624 nan 8.230 nan 0.000 0.429 857 Y N 1.230 121.528 120.300 -0.002 0.000 2.323 857 Y HA 0.460 5.011 4.550 0.002 0.000 0.331 857 Y C 1.125 177.031 175.900 0.009 0.000 1.092 857 Y CA -0.601 57.498 58.100 -0.003 0.000 1.150 857 Y CB 1.801 40.256 38.460 -0.008 0.000 1.200 857 Y HN 0.648 nan 8.280 nan 0.000 0.472 858 G N 0.447 109.309 108.800 0.102 0.000 2.580 858 G HA2 0.360 4.322 3.960 0.002 0.000 0.278 858 G HA3 0.360 4.322 3.960 0.002 0.000 0.278 858 G C 0.688 175.640 174.900 0.086 0.000 1.212 858 G CA -0.138 45.010 45.100 0.079 0.000 0.939 858 G HN 0.834 nan 8.290 nan 0.000 0.513 859 A N -0.156 122.703 122.820 0.065 0.000 2.014 859 A HA -0.036 4.286 4.320 0.002 0.000 0.218 859 A C 2.018 179.630 177.584 0.047 0.000 1.163 859 A CA 1.518 53.587 52.037 0.053 0.000 0.652 859 A CB -0.351 18.675 19.000 0.043 0.000 0.808 859 A HN 0.650 nan 8.150 nan 0.000 0.449 860 N N 0.212 118.939 118.700 0.044 0.000 2.494 860 N HA -0.029 4.712 4.740 0.002 0.000 0.182 860 N C 0.656 176.191 175.510 0.042 0.000 1.076 860 N CA -0.060 53.011 53.050 0.036 0.000 0.908 860 N CB -0.059 38.444 38.487 0.026 0.000 0.967 860 N HN 0.420 nan 8.380 nan 0.000 0.449 861 N N 0.511 119.249 118.700 0.063 0.000 2.416 861 N HA -0.024 4.718 4.740 0.002 0.000 0.246 861 N C 0.662 176.220 175.510 0.081 0.000 1.260 861 N CA 0.519 53.622 53.050 0.089 0.000 0.897 861 N CB 0.791 39.385 38.487 0.179 0.000 1.110 861 N HN 0.015 nan 8.380 nan 0.000 0.439 862 T N 0.765 115.365 114.554 0.077 0.000 2.759 862 T HA -0.126 4.226 4.350 0.002 0.000 0.269 862 T C -0.064 174.664 174.700 0.048 0.000 1.042 862 T CA 1.165 63.297 62.100 0.054 0.000 1.140 862 T CB -0.073 68.825 68.868 0.049 0.000 0.864 862 T HN 0.498 nan 8.240 nan 0.000 0.455 863 D N 2.247 122.692 120.400 0.075 0.000 2.564 863 D HA 0.230 4.872 4.640 0.002 0.000 0.226 863 D C -0.449 175.863 176.300 0.020 0.000 1.149 863 D CA 0.057 54.056 54.000 -0.000 0.000 0.994 863 D CB 0.634 41.364 40.800 -0.116 0.000 1.029 863 D HN 0.097 nan 8.370 nan 0.000 0.517 864 S N 1.357 117.072 115.700 0.025 0.000 2.498 864 S HA -0.009 4.463 4.470 0.002 0.000 0.281 864 S C 0.994 175.612 174.600 0.030 0.000 1.265 864 S CA -0.048 58.179 58.200 0.044 0.000 1.071 864 S CB 0.080 63.297 63.200 0.028 0.000 0.894 864 S HN 0.463 nan 8.310 nan 0.000 0.491 865 R N 0.727 121.270 120.500 0.071 0.000 3.758 865 R HA -0.190 4.152 4.340 0.002 0.000 0.299 865 R C 0.294 176.604 176.300 0.017 0.000 1.182 865 R CA 0.876 57.012 56.100 0.061 0.000 0.809 865 R CB -1.605 28.717 30.300 0.036 0.000 1.249 865 R HN 0.733 nan 8.270 nan 0.000 0.497 866 R N 1.398 121.863 120.500 -0.058 0.000 2.694 866 R HA 0.305 4.646 4.340 0.002 0.000 0.268 866 R C -0.150 176.088 176.300 -0.103 0.000 1.061 866 R CA 0.234 56.198 56.100 -0.226 0.000 1.133 866 R CB 0.498 30.391 30.300 -0.678 0.000 1.020 866 R HN 0.188 nan 8.270 nan 0.000 0.475 867 I N 3.760 124.263 120.570 -0.111 0.000 2.436 867 I HA 0.255 4.426 4.170 0.002 0.000 0.289 867 I C -0.849 175.144 176.117 -0.206 0.000 1.010 867 I CA -1.079 60.132 61.300 -0.149 0.000 1.098 867 I CB 2.229 40.062 38.000 -0.279 0.000 1.266 867 I HN 0.301 nan 8.210 nan 0.000 0.434 868 V N 6.719 126.549 119.914 -0.140 0.000 2.384 868 V HA 0.337 4.459 4.120 0.002 0.000 0.287 868 V C -0.946 175.090 176.094 -0.097 0.000 1.020 868 V CA -0.600 61.671 62.300 -0.048 0.000 0.850 868 V CB 1.050 32.920 31.823 0.078 0.000 0.987 868 V HN 0.420 nan 8.190 nan 0.000 0.436 869 Y N 3.551 123.914 120.300 0.104 0.000 2.353 869 Y HA 0.514 5.065 4.550 0.002 0.000 0.340 869 Y C 0.473 176.531 175.900 0.263 0.000 0.972 869 Y CA -0.510 57.680 58.100 0.150 0.000 1.157 869 Y CB 1.069 39.553 38.460 0.040 0.000 1.157 869 Y HN 0.607 nan 8.280 nan 0.000 0.495 870 N N 2.554 121.480 118.700 0.376 0.000 2.617 870 N HA 0.511 5.253 4.740 0.002 0.000 0.263 870 N C -0.790 174.814 175.510 0.157 0.000 1.074 870 N CA -0.233 52.984 53.050 0.279 0.000 0.841 870 N CB 1.037 39.624 38.487 0.166 0.000 1.221 870 N HN 0.853 nan 8.380 nan 0.000 0.529 871 G N 0.586 109.392 108.800 0.011 0.000 2.733 871 G HA2 0.269 4.231 3.960 0.002 0.000 0.288 871 G HA3 0.269 4.231 3.960 0.002 0.000 0.288 871 G C -0.341 174.431 174.900 -0.215 0.000 1.373 871 G CA -0.512 44.485 45.100 -0.172 0.000 0.895 871 G HN 0.350 nan 8.290 nan 0.000 0.479 872 D N -0.339 119.969 120.400 -0.153 0.000 2.350 872 D HA 0.153 4.795 4.640 0.002 0.000 0.213 872 D C 0.268 176.490 176.300 -0.130 0.000 1.031 872 D CA 0.809 54.747 54.000 -0.103 0.000 0.861 872 D CB 0.780 41.549 40.800 -0.052 0.000 0.926 872 D HN 0.497 nan 8.370 nan 0.000 0.520 873 E N -0.314 119.753 120.200 -0.222 0.000 2.343 873 E HA 0.240 4.591 4.350 0.002 0.000 0.278 873 E C -0.880 175.500 176.600 -0.366 0.000 0.910 873 E CA -0.642 55.638 56.400 -0.199 0.000 0.757 873 E CB 2.023 31.661 29.700 -0.104 0.000 1.218 873 E HN 0.043 nan 8.360 nan 0.000 0.435 874 H N 2.757 121.829 119.070 0.003 0.000 2.718 874 H HA 0.349 4.906 4.556 0.002 0.000 0.295 874 H C -0.786 174.495 175.328 -0.078 0.000 1.051 874 H CA -0.382 55.637 56.048 -0.048 0.000 1.260 874 H CB 0.570 30.372 29.762 0.066 0.000 1.403 874 H HN 0.280 nan 8.280 nan 0.000 0.488 875 L N 4.367 125.520 121.223 -0.116 0.000 2.316 875 L HA 0.321 4.662 4.340 0.002 0.000 0.280 875 L C -0.524 176.214 176.870 -0.219 0.000 1.006 875 L CA -0.620 54.168 54.840 -0.086 0.000 0.836 875 L CB 0.908 42.931 42.059 -0.061 0.000 1.221 875 L HN 0.354 nan 8.230 nan 0.000 0.418 876 F N 2.464 122.420 119.950 0.009 0.000 2.350 876 F HA 0.347 4.876 4.527 0.002 0.000 0.365 876 F C 0.574 176.371 175.800 -0.006 0.000 1.122 876 F CA -0.111 57.886 58.000 -0.004 0.000 1.139 876 F CB 1.126 40.113 39.000 -0.022 0.000 1.220 876 F HN 0.479 nan 8.300 nan 0.000 0.499 877 Q N 1.569 121.423 119.800 0.091 0.000 2.266 877 Q HA 0.396 4.737 4.340 0.002 0.000 0.261 877 Q C 0.525 176.561 176.000 0.059 0.000 0.985 877 Q CA -0.201 55.634 55.803 0.053 0.000 0.873 877 Q CB 1.559 30.304 28.738 0.011 0.000 1.306 877 Q HN 0.809 nan 8.270 nan 0.000 0.447 878 S N -0.641 115.084 115.700 0.042 0.000 2.691 878 S HA -0.241 4.230 4.470 0.002 0.000 0.262 878 S C -0.472 174.148 174.600 0.033 0.000 1.284 878 S CA 1.032 59.251 58.200 0.032 0.000 1.372 878 S CB -1.463 61.753 63.200 0.026 0.000 1.693 878 S HN 0.991 nan 8.310 nan 0.000 0.647 879 A N 0.283 123.131 122.820 0.046 0.000 2.608 879 A HA 0.592 4.914 4.320 0.002 0.000 0.292 879 A C -1.445 176.156 177.584 0.027 0.000 1.066 879 A CA -0.735 51.322 52.037 0.033 0.000 0.676 879 A CB 0.791 19.812 19.000 0.035 0.000 1.277 879 A HN 0.071 nan 8.150 nan 0.000 0.413 880 D N 0.491 120.890 120.400 -0.002 0.000 2.419 880 D HA 0.281 4.922 4.640 0.002 0.000 0.236 880 D C 0.015 176.277 176.300 -0.064 0.000 1.165 880 D CA 0.378 54.359 54.000 -0.031 0.000 0.882 880 D CB 0.865 41.642 40.800 -0.039 0.000 1.201 880 D HN 0.195 nan 8.370 nan 0.000 0.443 881 V N 2.989 122.824 119.914 -0.131 0.000 2.368 881 V HA 0.153 4.275 4.120 0.002 0.000 0.266 881 V C 0.567 176.560 176.094 -0.169 0.000 1.045 881 V CA -0.034 62.120 62.300 -0.243 0.000 0.899 881 V CB 0.198 31.757 31.823 -0.440 0.000 1.006 881 V HN 0.292 nan 8.190 nan 0.000 0.470 882 K N 5.439 125.765 120.400 -0.123 0.000 2.385 882 K HA 0.647 4.968 4.320 0.002 0.000 0.248 882 K C -2.437 174.135 176.600 -0.047 0.000 0.955 882 K CA -1.594 54.647 56.287 -0.076 0.000 0.816 882 K CB 2.265 34.730 32.500 -0.057 0.000 1.250 882 K HN 0.478 nan 8.250 nan 0.000 0.434 883 P HA 0.066 nan 4.420 nan 0.000 0.277 883 P C -0.067 177.270 177.300 0.061 0.000 1.240 883 P CA -0.315 62.800 63.100 0.025 0.000 0.798 883 P CB 0.618 32.330 31.700 0.020 0.000 0.979 884 Y N 2.355 122.647 120.300 -0.014 0.000 2.181 884 Y HA -0.153 4.398 4.550 0.002 0.000 0.288 884 Y C 0.624 176.520 175.900 -0.007 0.000 1.146 884 Y CA 1.376 59.472 58.100 -0.007 0.000 1.164 884 Y CB 0.116 38.577 38.460 0.001 0.000 0.982 884 Y HN 0.437 nan 8.280 nan 0.000 0.515 885 N N -0.186 118.628 118.700 0.190 0.000 2.483 885 N HA 0.161 4.903 4.740 0.002 0.000 0.285 885 N C -1.727 173.806 175.510 0.038 0.000 1.210 885 N CA -0.702 52.412 53.050 0.106 0.000 0.931 885 N CB 0.865 39.437 38.487 0.142 0.000 1.220 885 N HN -0.017 nan 8.380 nan 0.000 0.542 886 D N 0.154 120.564 120.400 0.018 0.000 2.274 886 D HA 0.219 4.861 4.640 0.002 0.000 0.239 886 D C -0.628 175.677 176.300 0.009 0.000 1.104 886 D CA -0.024 53.978 54.000 0.003 0.000 0.840 886 D CB 0.185 40.980 40.800 -0.008 0.000 1.100 886 D HN 0.507 nan 8.370 nan 0.000 0.477 887 N N 2.887 121.591 118.700 0.006 0.000 2.738 887 N HA -0.177 4.565 4.740 0.002 0.000 0.249 887 N C -0.474 175.043 175.510 0.012 0.000 1.047 887 N CA 0.965 54.019 53.050 0.006 0.000 0.707 887 N CB -0.941 37.548 38.487 0.003 0.000 0.937 887 N HN 0.237 nan 8.380 nan 0.000 0.545 888 V N -2.003 117.922 119.914 0.017 0.000 3.159 888 V HA 0.228 4.349 4.120 0.002 0.000 0.234 888 V C 0.988 177.094 176.094 0.020 0.000 1.313 888 V CA 1.286 63.598 62.300 0.021 0.000 1.271 888 V CB 0.778 32.620 31.823 0.032 0.000 1.053 888 V HN 0.622 nan 8.190 nan 0.000 0.476 889 T N -0.939 113.628 114.554 0.022 0.000 2.942 889 T HA 0.869 5.220 4.350 0.002 0.000 0.289 889 T C -0.427 174.284 174.700 0.018 0.000 1.044 889 T CA -0.088 62.024 62.100 0.021 0.000 1.023 889 T CB 2.453 71.337 68.868 0.026 0.000 1.123 889 T HN 0.392 nan 8.240 nan 0.000 0.512 890 A N 1.270 124.103 122.820 0.022 0.000 2.322 890 A HA 0.791 5.112 4.320 0.002 0.000 0.327 890 A C -0.494 177.119 177.584 0.048 0.000 1.134 890 A CA -1.123 50.931 52.037 0.028 0.000 0.831 890 A CB 0.798 19.814 19.000 0.027 0.000 1.288 890 A HN 0.893 nan 8.150 nan 0.000 0.472 891 L N 1.978 123.242 121.223 0.068 0.000 2.278 891 L HA 0.541 4.883 4.340 0.002 0.000 0.287 891 L C 1.039 178.034 176.870 0.209 0.000 1.072 891 L CA 0.845 55.779 54.840 0.156 0.000 0.819 891 L CB 0.296 42.421 42.059 0.110 0.000 1.176 891 L HN 1.322 nan 8.230 nan 0.000 0.435 892 G N 2.640 111.554 108.800 0.191 0.000 2.782 892 G HA2 0.143 4.105 3.960 0.002 0.000 0.228 892 G HA3 0.143 4.105 3.960 0.002 0.000 0.228 892 G C -0.282 174.610 174.900 -0.014 0.000 1.372 892 G CA -0.488 44.614 45.100 0.004 0.000 0.862 892 G HN 1.053 nan 8.290 nan 0.000 0.547 893 G N -2.268 106.502 108.800 -0.050 0.000 2.649 893 G HA2 0.794 4.756 3.960 0.002 0.000 0.290 893 G HA3 0.794 4.756 3.960 0.002 0.000 0.290 893 G C -1.837 173.043 174.900 -0.034 0.000 1.426 893 G CA 0.334 45.414 45.100 -0.033 0.000 0.794 893 G HN 0.642 nan 8.290 nan 0.000 0.483 894 P HA 0.044 nan 4.420 nan 0.000 0.220 894 P C 1.297 178.581 177.300 -0.027 0.000 1.148 894 P CA 1.081 64.169 63.100 -0.019 0.000 0.803 894 P CB 0.384 32.076 31.700 -0.013 0.000 0.782 895 S N -1.304 114.375 115.700 -0.035 0.000 2.568 895 S HA 0.173 4.645 4.470 0.002 0.000 0.232 895 S C 0.221 174.784 174.600 -0.062 0.000 0.975 895 S CA -0.173 58.004 58.200 -0.039 0.000 0.949 895 S CB -0.552 62.629 63.200 -0.033 0.000 0.829 895 S HN 0.174 nan 8.310 nan 0.000 0.479 896 N N 1.595 120.243 118.700 -0.086 0.000 2.697 896 N HA 0.222 4.964 4.740 0.002 0.000 0.253 896 N C -1.003 174.385 175.510 -0.204 0.000 1.604 896 N CA -0.337 52.624 53.050 -0.148 0.000 0.772 896 N CB 0.843 39.236 38.487 -0.156 0.000 1.267 896 N HN 0.045 nan 8.380 nan 0.000 0.510 897 R N 0.462 120.876 120.500 -0.143 0.000 2.357 897 R HA 0.373 4.715 4.340 0.002 0.000 0.296 897 R C -0.411 175.809 176.300 -0.135 0.000 1.052 897 R CA -0.446 55.595 56.100 -0.098 0.000 0.988 897 R CB 0.936 31.223 30.300 -0.021 0.000 1.025 897 R HN 0.197 nan 8.270 nan 0.000 0.469 898 F N 0.578 120.533 119.950 0.008 0.000 2.459 898 F HA -0.038 4.491 4.527 0.002 0.000 0.346 898 F C 2.168 177.977 175.800 0.015 0.000 1.128 898 F CA 0.198 58.209 58.000 0.018 0.000 1.268 898 F CB 1.012 40.022 39.000 0.016 0.000 1.161 898 F HN 0.649 nan 8.300 nan 0.000 0.583 899 T N -2.135 112.553 114.554 0.224 0.000 2.777 899 T HA -0.030 4.322 4.350 0.002 0.000 0.266 899 T C 0.742 175.490 174.700 0.080 0.000 1.040 899 T CA 1.445 63.618 62.100 0.122 0.000 1.141 899 T CB -0.082 68.857 68.868 0.118 0.000 0.868 899 T HN 0.670 nan 8.240 nan 0.000 0.444 900 T N -0.551 114.053 114.554 0.083 0.000 2.653 900 T HA 0.580 4.931 4.350 0.002 0.000 0.306 900 T C -2.317 172.355 174.700 -0.047 0.000 1.426 900 T CA -0.278 61.803 62.100 -0.031 0.000 1.008 900 T CB 1.083 69.844 68.868 -0.178 0.000 1.692 900 T HN 0.660 nan 8.240 nan 0.000 0.483 901 A N 1.467 124.205 122.820 -0.137 0.000 2.357 901 A HA 0.700 5.022 4.320 0.002 0.000 0.295 901 A C -1.781 175.714 177.584 -0.147 0.000 1.121 901 A CA -0.459 51.514 52.037 -0.105 0.000 0.742 901 A CB 0.510 19.449 19.000 -0.103 0.000 1.181 901 A HN 0.674 nan 8.150 nan 0.000 0.454 902 Y N 2.817 123.088 120.300 -0.049 0.000 2.486 902 Y HA 0.490 5.042 4.550 0.002 0.000 0.348 902 Y C 0.220 176.097 175.900 -0.038 0.000 1.000 902 Y CA 0.221 58.302 58.100 -0.033 0.000 1.253 902 Y CB 0.431 38.877 38.460 -0.022 0.000 1.140 902 Y HN 0.495 nan 8.280 nan 0.000 0.526 903 L N 1.184 122.449 121.223 0.069 0.000 2.354 903 L HA 0.573 4.914 4.340 0.002 0.000 0.264 903 L C 1.146 178.035 176.870 0.031 0.000 1.008 903 L CA -0.870 53.988 54.840 0.030 0.000 0.819 903 L CB 2.173 44.227 42.059 -0.009 0.000 1.339 903 L HN 0.698 nan 8.230 nan 0.000 0.420 904 G N -0.052 108.760 108.800 0.020 0.000 2.880 904 G HA2 0.179 4.140 3.960 0.002 0.000 0.209 904 G HA3 0.179 4.140 3.960 0.002 0.000 0.209 904 G C 0.311 175.214 174.900 0.006 0.000 1.157 904 G CA 0.711 45.820 45.100 0.016 0.000 0.779 904 G HN 0.613 nan 8.290 nan 0.000 0.539 905 S N -1.320 114.379 115.700 -0.001 0.000 2.587 905 S HA 0.328 4.799 4.470 0.002 0.000 0.269 905 S C -1.010 173.583 174.600 -0.012 0.000 1.154 905 S CA -1.034 57.163 58.200 -0.006 0.000 0.824 905 S CB 0.897 64.093 63.200 -0.006 0.000 1.118 905 S HN 0.151 nan 8.310 nan 0.000 0.462 906 N N 1.545 120.237 118.700 -0.014 0.000 2.416 906 N HA 0.340 5.082 4.740 0.002 0.000 0.246 906 N C -2.616 172.882 175.510 -0.019 0.000 1.260 906 N CA -0.696 52.343 53.050 -0.018 0.000 0.897 906 N CB -0.051 38.427 38.487 -0.016 0.000 1.110 906 N HN 0.470 nan 8.380 nan 0.000 0.439 907 P HA 0.003 nan 4.420 nan 0.000 0.264 907 P C -0.657 176.632 177.300 -0.018 0.000 1.183 907 P CA 0.441 63.528 63.100 -0.022 0.000 0.763 907 P CB 0.386 32.072 31.700 -0.023 0.000 0.807 908 I N 3.248 123.807 120.570 -0.018 0.000 2.291 908 I HA 0.117 4.288 4.170 0.002 0.000 0.292 908 I C -0.178 175.930 176.117 -0.015 0.000 1.064 908 I CA -0.435 60.855 61.300 -0.016 0.000 1.269 908 I CB 0.570 38.561 38.000 -0.016 0.000 1.418 908 I HN -0.013 nan 8.210 nan 0.000 0.485 909 V N 5.720 125.626 119.914 -0.013 0.000 2.370 909 V HA 0.556 4.677 4.120 0.002 0.000 0.283 909 V C 0.352 176.440 176.094 -0.010 0.000 1.023 909 V CA -0.347 61.946 62.300 -0.011 0.000 0.857 909 V CB 1.421 33.238 31.823 -0.010 0.000 0.985 909 V HN 0.862 nan 8.190 nan 0.000 0.443 910 T N 0.000 114.549 114.554 -0.009 0.000 3.816 910 T HA 0.000 4.351 4.350 0.002 0.000 0.228 910 T CA 0.000 62.095 62.100 -0.008 0.000 1.349 910 T CB 0.000 68.863 68.868 -0.009 0.000 0.612 910 T HN 0.000 nan 8.240 nan 0.000 0.658