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 2hjw_1_A DATA FIRST_RESID 239 DATA SEQUENCE HRDFTVASPA EFVTRFGGDR VIEKVLIANN GIAAVKCMRS IRRWAYEMFR DATA SEQUENCE NERAIRFVVM VTPEDLKANA EYIKMADHYV PVPGGPNNNN YANVELIVDI DATA SEQUENCE AKRIPVQAVW AGWGHASENP KLPELLCKNG VAFLGPPSEA MWALGDKIAS DATA SEQUENCE TVVAQTLQVP TLPWSGSGLT VEWXXXXXXQ GKRISVPEDV YDKGCVKDVD DATA SEQUENCE EGLEAAERIG FPLMIKASEG GGGKGIRKAE SAEDFPILFR QVQSEIPGSP DATA SEQUENCE IFLMKLAQHA RHLEVQILAD QYGNAVSLFG RDCSIQRRHQ KIVEEAPATI DATA SEQUENCE APLAIFEFME QCAIRLAKTV GYVSAGTVEY LYSQDGSFHF LELNPRLQVE DATA SEQUENCE HPCTEMIADV NLPAAQLQIA MGVPLHRLKD IRLLYGESPW GVTPISFETP DATA SEQUENCE SNPPLARGHV IAARITSEXX XXXXXXXSGT VQELNFRSSK NVWGYFSVXX DATA SEQUENCE XXXXXXXXXX QFGHCFSWGE NREEAISNMV VALKELSIRG DFRTTVEYLI DATA SEQUENCE NLLETESFQN NDIDTGWLDY L 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 239 H HA 0.000 nan 4.556 nan 0.000 0.296 239 H C 0.000 175.210 175.328 -0.196 0.000 0.993 239 H CA 0.000 55.975 56.048 -0.121 0.000 1.023 239 H CB 0.000 29.691 29.762 -0.118 0.000 1.292 240 R N 2.376 122.820 120.500 -0.093 0.000 2.441 240 R HA 0.162 4.502 4.340 0.000 0.000 0.284 240 R C -0.689 175.303 176.300 -0.514 0.000 1.070 240 R CA -0.379 55.569 56.100 -0.253 0.000 1.047 240 R CB 0.659 30.812 30.300 -0.245 0.000 1.016 240 R HN 0.516 nan 8.270 nan 0.000 0.477 241 D N 3.534 123.696 120.400 -0.396 0.000 2.249 241 D HA 0.063 4.703 4.640 0.000 0.000 0.246 241 D C -0.116 175.946 176.300 -0.396 0.000 1.114 241 D CA -0.167 53.591 54.000 -0.402 0.000 0.854 241 D CB 0.484 41.156 40.800 -0.213 0.000 1.132 241 D HN 0.550 nan 8.370 nan 0.000 0.461 242 F N 0.851 120.624 119.950 -0.296 0.000 2.731 242 F HA 0.050 4.577 4.527 0.000 0.000 0.298 242 F C 1.623 177.110 175.800 -0.523 0.000 1.106 242 F CA -0.412 57.234 58.000 -0.590 0.000 1.329 242 F CB 0.426 38.878 39.000 -0.913 0.000 1.100 242 F HN 0.280 nan 8.300 nan 0.000 0.592 243 T N 0.025 114.458 114.554 -0.202 0.000 2.849 243 T HA 0.514 4.864 4.350 0.000 0.000 0.284 243 T C -0.137 174.480 174.700 -0.138 0.000 1.004 243 T CA -0.524 61.439 62.100 -0.228 0.000 1.021 243 T CB 1.732 70.470 68.868 -0.217 0.000 1.013 243 T HN -0.013 nan 8.240 nan 0.000 0.527 244 V N -1.249 118.590 119.914 -0.124 0.000 3.074 244 V HA 0.872 4.993 4.120 0.000 0.000 0.314 244 V C 1.309 177.480 176.094 0.128 0.000 1.117 244 V CA -0.613 61.705 62.300 0.031 0.000 1.014 244 V CB 0.769 32.668 31.823 0.127 0.000 1.057 244 V HN 1.135 nan 8.190 nan 0.000 0.438 245 A N 2.001 124.902 122.820 0.136 0.000 1.835 245 A HA 0.239 4.559 4.320 0.000 0.000 0.215 245 A C 1.347 179.029 177.584 0.163 0.000 1.199 245 A CA 1.903 54.012 52.037 0.121 0.000 0.615 245 A CB -0.803 18.243 19.000 0.077 0.000 0.838 245 A HN 1.796 nan 8.150 nan 0.000 0.444 246 S N -3.373 112.440 115.700 0.189 0.000 2.732 246 S HA 0.582 5.052 4.470 0.000 0.000 0.293 246 S C -2.606 172.109 174.600 0.192 0.000 1.159 246 S CA -0.996 57.242 58.200 0.063 0.000 0.847 246 S CB 1.190 64.394 63.200 0.006 0.000 1.169 246 S HN -0.058 nan 8.310 nan 0.000 0.501 247 P HA 0.020 nan 4.420 nan 0.000 0.219 247 P C 1.521 178.995 177.300 0.291 0.000 1.146 247 P CA 1.877 65.047 63.100 0.116 0.000 0.808 247 P CB -0.223 31.412 31.700 -0.108 0.000 0.779 248 A N 0.201 123.120 122.820 0.165 0.000 1.865 248 A HA -0.279 4.041 4.320 0.000 0.000 0.217 248 A C 2.355 180.059 177.584 0.199 0.000 1.191 248 A CA 2.095 54.225 52.037 0.155 0.000 0.623 248 A CB -1.403 17.651 19.000 0.089 0.000 0.826 248 A HN 0.240 nan 8.150 nan 0.000 0.444 249 E N -1.373 118.957 120.200 0.216 0.000 2.106 249 E HA -0.200 4.150 4.350 0.000 0.000 0.192 249 E C 1.791 178.563 176.600 0.287 0.000 0.984 249 E CA 1.285 57.811 56.400 0.210 0.000 0.806 249 E CB -0.319 29.492 29.700 0.185 0.000 0.750 249 E HN 0.594 nan 8.360 nan 0.000 0.458 250 F N 0.989 121.086 119.950 0.245 0.000 2.069 250 F HA -0.242 4.285 4.527 0.000 0.000 0.298 250 F C 1.988 177.970 175.800 0.302 0.000 1.113 250 F CA 1.734 59.878 58.000 0.239 0.000 1.214 250 F CB -0.462 38.624 39.000 0.144 0.000 0.978 250 F HN -0.097 nan 8.300 nan 0.000 0.474 251 V N 0.314 120.400 119.914 0.287 0.000 2.287 251 V HA -0.354 3.766 4.120 0.000 0.000 0.248 251 V C 2.338 178.473 176.094 0.069 0.000 1.053 251 V CA 2.478 64.863 62.300 0.142 0.000 1.027 251 V CB -1.319 30.642 31.823 0.230 0.000 0.646 251 V HN 0.498 nan 8.190 nan 0.000 0.447 252 T N -0.419 114.198 114.554 0.105 0.000 2.708 252 T HA -0.244 4.106 4.350 0.000 0.000 0.266 252 T C 2.031 176.758 174.700 0.046 0.000 1.037 252 T CA 1.846 63.990 62.100 0.073 0.000 1.146 252 T CB -0.275 68.640 68.868 0.078 0.000 0.865 252 T HN 0.395 nan 8.240 nan 0.000 0.435 253 R N -0.183 120.363 120.500 0.075 0.000 2.235 253 R HA 0.060 4.400 4.340 0.000 0.000 0.213 253 R C 0.579 176.792 176.300 -0.144 0.000 1.059 253 R CA 0.824 56.927 56.100 0.005 0.000 0.997 253 R CB -0.105 30.235 30.300 0.066 0.000 0.884 253 R HN 0.311 nan 8.270 nan 0.000 0.462 254 F N -0.268 119.514 119.950 -0.281 0.000 2.684 254 F HA 0.366 4.893 4.527 0.000 0.000 0.298 254 F C 1.262 176.947 175.800 -0.192 0.000 1.120 254 F CA 0.142 57.959 58.000 -0.305 0.000 1.332 254 F CB 1.023 39.611 39.000 -0.687 0.000 0.986 254 F HN 0.184 nan 8.300 nan 0.000 0.524 255 G N 0.389 109.184 108.800 -0.009 0.000 2.166 255 G HA2 -0.247 3.713 3.960 0.000 0.000 0.260 255 G HA3 -0.247 3.713 3.960 0.000 0.000 0.260 255 G C 0.868 175.794 174.900 0.044 0.000 0.986 255 G CA 0.013 45.111 45.100 -0.003 0.000 0.683 255 G HN 0.768 nan 8.290 nan 0.000 0.527 256 G N -0.267 108.572 108.800 0.065 0.000 2.621 256 G HA2 0.506 4.466 3.960 0.000 0.000 0.271 256 G HA3 0.506 4.466 3.960 0.000 0.000 0.271 256 G C 0.480 175.452 174.900 0.121 0.000 1.236 256 G CA 0.556 45.729 45.100 0.122 0.000 0.958 256 G HN 0.748 nan 8.290 nan 0.000 0.512 257 D N -2.079 118.402 120.400 0.135 0.000 2.692 257 D HA 0.151 4.791 4.640 0.000 0.000 0.290 257 D C 0.336 176.695 176.300 0.097 0.000 1.455 257 D CA -0.413 53.655 54.000 0.112 0.000 0.796 257 D CB 0.291 41.167 40.800 0.127 0.000 1.131 257 D HN 0.436 nan 8.370 nan 0.000 0.467 258 R N 0.134 120.699 120.500 0.107 0.000 2.633 258 R HA 0.377 4.717 4.340 0.000 0.000 0.255 258 R C -2.181 174.188 176.300 0.115 0.000 1.106 258 R CA -0.579 55.577 56.100 0.094 0.000 0.959 258 R CB 1.783 32.130 30.300 0.078 0.000 1.259 258 R HN -0.119 nan 8.270 nan 0.000 0.453 259 V N 5.896 125.867 119.914 0.095 0.000 2.350 259 V HA 0.457 4.577 4.120 0.000 0.000 0.276 259 V C 0.109 176.242 176.094 0.066 0.000 1.028 259 V CA -0.407 61.954 62.300 0.102 0.000 0.860 259 V CB 1.263 33.135 31.823 0.082 0.000 0.990 259 V HN 0.552 nan 8.190 nan 0.000 0.453 260 I N 5.345 125.956 120.570 0.069 0.000 2.382 260 I HA 0.395 4.565 4.170 0.000 0.000 0.285 260 I C 0.771 176.875 176.117 -0.023 0.000 1.007 260 I CA -0.062 61.250 61.300 0.021 0.000 1.142 260 I CB 1.432 39.448 38.000 0.027 0.000 1.289 260 I HN 0.835 nan 8.210 nan 0.000 0.453 261 E N 4.492 124.652 120.200 -0.067 0.000 2.641 261 E HA 0.183 4.533 4.350 0.000 0.000 0.224 261 E C -0.076 176.420 176.600 -0.174 0.000 0.951 261 E CA -0.460 55.860 56.400 -0.133 0.000 1.102 261 E CB 0.806 30.430 29.700 -0.127 0.000 1.091 261 E HN 0.335 nan 8.360 nan 0.000 0.507 262 K N 1.236 121.548 120.400 -0.147 0.000 2.578 262 K HA 0.394 4.714 4.320 0.000 0.000 0.250 262 K C -1.888 174.632 176.600 -0.133 0.000 0.955 262 K CA -0.630 55.565 56.287 -0.153 0.000 0.825 262 K CB 2.167 34.609 32.500 -0.097 0.000 1.151 262 K HN -0.003 nan 8.250 nan 0.000 0.432 263 V N 5.040 124.837 119.914 -0.195 0.000 2.540 263 V HA 0.481 4.601 4.120 0.000 0.000 0.302 263 V C -1.076 175.084 176.094 0.110 0.000 1.035 263 V CA -1.022 61.245 62.300 -0.055 0.000 0.873 263 V CB 1.537 33.302 31.823 -0.096 0.000 0.992 263 V HN 0.735 nan 8.190 nan 0.000 0.428 264 L N 6.582 127.898 121.223 0.155 0.000 2.289 264 L HA 0.632 4.973 4.340 0.000 0.000 0.285 264 L C -0.488 176.534 176.870 0.254 0.000 1.049 264 L CA 0.211 55.166 54.840 0.192 0.000 0.804 264 L CB 1.031 43.173 42.059 0.139 0.000 1.195 264 L HN 0.551 nan 8.230 nan 0.000 0.428 265 I N 5.993 126.721 120.570 0.263 0.000 2.330 265 I HA 0.353 4.523 4.170 0.000 0.000 0.286 265 I C 0.437 176.672 176.117 0.197 0.000 1.025 265 I CA -0.542 60.916 61.300 0.263 0.000 1.197 265 I CB 1.451 39.564 38.000 0.189 0.000 1.358 265 I HN 0.834 nan 8.210 nan 0.000 0.467 266 A N 6.081 129.014 122.820 0.188 0.000 3.063 266 A HA 0.371 4.691 4.320 0.000 0.000 0.263 266 A C 0.051 177.719 177.584 0.139 0.000 1.736 266 A CA 0.206 52.351 52.037 0.180 0.000 1.408 266 A CB -0.631 18.457 19.000 0.147 0.000 1.108 266 A HN 0.920 nan 8.150 nan 0.000 0.621 267 N N -0.426 118.278 118.700 0.007 0.000 3.413 267 N HA 0.260 5.000 4.740 0.000 0.000 0.273 267 N C -1.469 173.621 175.510 -0.699 0.000 1.458 267 N CA -0.399 52.483 53.050 -0.280 0.000 0.860 267 N CB 0.663 39.002 38.487 -0.247 0.000 1.556 267 N HN 0.505 nan 8.380 nan 0.000 0.475 268 N N -0.358 117.866 118.700 -0.792 0.000 3.418 268 N HA 0.588 5.328 4.740 0.000 0.000 0.316 268 N C 0.540 175.723 175.510 -0.545 0.000 1.601 268 N CA 0.292 52.758 53.050 -0.973 0.000 0.805 268 N CB -0.130 37.839 38.487 -0.863 0.000 1.873 268 N HN 0.862 nan 8.380 nan 0.000 0.615 269 G N 0.611 109.223 108.800 -0.315 0.000 2.594 269 G HA2 -0.346 3.614 3.960 0.000 0.000 0.297 269 G HA3 -0.346 3.614 3.960 0.000 0.000 0.297 269 G C 0.790 175.649 174.900 -0.067 0.000 1.273 269 G CA 0.808 45.878 45.100 -0.050 0.000 0.974 269 G HN 0.943 nan 8.290 nan 0.000 0.552 270 I N 1.547 122.105 120.570 -0.019 0.000 2.286 270 I HA 0.077 4.247 4.170 0.000 0.000 0.248 270 I C 3.083 179.183 176.117 -0.027 0.000 1.115 270 I CA 2.730 63.991 61.300 -0.065 0.000 1.392 270 I CB -0.888 36.991 38.000 -0.202 0.000 1.065 270 I HN 0.972 nan 8.210 nan 0.000 0.418 271 A N 0.602 123.359 122.820 -0.105 0.000 1.851 271 A HA -0.185 4.135 4.320 0.000 0.000 0.216 271 A C 2.547 180.002 177.584 -0.215 0.000 1.195 271 A CA 2.329 54.150 52.037 -0.359 0.000 0.622 271 A CB -1.526 16.972 19.000 -0.836 0.000 0.831 271 A HN 0.543 nan 8.150 nan 0.000 0.444 272 A N -0.630 122.029 122.820 -0.268 0.000 1.873 272 A HA -0.082 4.238 4.320 0.000 0.000 0.218 272 A C 2.276 179.687 177.584 -0.289 0.000 1.193 272 A CA 2.198 54.047 52.037 -0.313 0.000 0.629 272 A CB -1.251 17.436 19.000 -0.522 0.000 0.826 272 A HN 0.494 nan 8.150 nan 0.000 0.447 273 V N 0.350 120.160 119.914 -0.172 0.000 2.233 273 V HA -0.303 3.817 4.120 0.000 0.000 0.247 273 V C 2.603 178.584 176.094 -0.187 0.000 1.050 273 V CA 2.644 64.868 62.300 -0.126 0.000 1.010 273 V CB -0.748 31.049 31.823 -0.042 0.000 0.637 273 V HN 0.663 nan 8.190 nan 0.000 0.444 274 K N 0.054 120.373 120.400 -0.136 0.000 2.063 274 K HA -0.218 4.102 4.320 0.000 0.000 0.208 274 K C 2.208 178.651 176.600 -0.261 0.000 1.048 274 K CA 2.145 58.379 56.287 -0.089 0.000 0.928 274 K CB -1.278 31.313 32.500 0.153 0.000 0.713 274 K HN 0.569 nan 8.250 nan 0.000 0.442 275 C N 0.331 119.305 119.300 -0.544 0.000 2.413 275 C HA -0.092 4.368 4.460 0.000 0.000 0.276 275 C C 2.457 177.007 174.990 -0.733 0.000 1.236 275 C CA 1.359 59.804 59.018 -0.955 0.000 1.735 275 C CB -0.862 25.870 27.740 -1.680 0.000 2.031 275 C HN 0.625 nan 8.230 nan 0.000 0.474 276 M N -0.105 119.051 119.600 -0.740 0.000 2.099 276 M HA -0.082 4.398 4.480 0.000 0.000 0.262 276 M C 2.595 178.683 176.300 -0.354 0.000 1.067 276 M CA 1.583 56.413 55.300 -0.783 0.000 1.124 276 M CB -0.660 31.523 32.600 -0.696 0.000 1.353 276 M HN 0.339 nan 8.290 nan 0.000 0.410 277 R N -0.162 120.186 120.500 -0.253 0.000 2.091 277 R HA -0.089 4.251 4.340 0.000 0.000 0.238 277 R C 2.403 178.639 176.300 -0.106 0.000 1.136 277 R CA 1.611 57.620 56.100 -0.152 0.000 0.959 277 R CB -0.511 29.701 30.300 -0.148 0.000 0.856 277 R HN 0.320 nan 8.270 nan 0.000 0.437 278 S N 0.811 116.438 115.700 -0.122 0.000 2.368 278 S HA -0.024 4.446 4.470 0.000 0.000 0.224 278 S C 1.976 176.595 174.600 0.031 0.000 1.029 278 S CA 0.878 59.046 58.200 -0.053 0.000 0.988 278 S CB -0.044 63.121 63.200 -0.059 0.000 0.838 278 S HN 0.216 nan 8.310 nan 0.000 0.462 279 I N 0.924 121.504 120.570 0.017 0.000 2.439 279 I HA -0.114 4.056 4.170 0.000 0.000 0.251 279 I C 2.515 178.830 176.117 0.329 0.000 1.139 279 I CA 0.937 62.360 61.300 0.205 0.000 1.438 279 I CB -0.200 37.983 38.000 0.307 0.000 1.085 279 I HN 0.160 nan 8.210 nan 0.000 0.427 280 R N 0.277 120.905 120.500 0.212 0.000 2.090 280 R HA -0.130 4.210 4.340 0.000 0.000 0.228 280 R C 2.386 178.796 176.300 0.183 0.000 1.110 280 R CA 0.808 57.029 56.100 0.203 0.000 0.973 280 R CB -0.278 30.091 30.300 0.115 0.000 0.869 280 R HN 0.131 nan 8.270 nan 0.000 0.440 281 R N 0.649 121.235 120.500 0.142 0.000 2.083 281 R HA -0.200 4.140 4.340 0.000 0.000 0.237 281 R C 1.713 178.138 176.300 0.209 0.000 1.137 281 R CA 1.734 57.919 56.100 0.142 0.000 0.951 281 R CB -0.938 29.411 30.300 0.081 0.000 0.851 281 R HN 0.365 nan 8.270 nan 0.000 0.434 282 W N 0.704 122.036 121.300 0.054 0.000 2.381 282 W HA -0.004 4.656 4.660 0.000 0.000 0.301 282 W C 1.987 178.533 176.519 0.045 0.000 1.205 282 W CA 2.236 59.599 57.345 0.030 0.000 1.285 282 W CB -0.653 28.805 29.460 -0.005 0.000 1.133 282 W HN 0.226 nan 8.180 nan 0.000 0.521 283 A N -0.569 122.310 122.820 0.098 0.000 1.908 283 A HA -0.282 4.038 4.320 0.000 0.000 0.218 283 A C 1.893 179.494 177.584 0.028 0.000 1.181 283 A CA 1.818 53.885 52.037 0.050 0.000 0.627 283 A CB -1.590 17.548 19.000 0.230 0.000 0.818 283 A HN 0.557 nan 8.150 nan 0.000 0.445 284 Y N 0.296 120.568 120.300 -0.046 0.000 2.293 284 Y HA -0.104 4.446 4.550 0.000 0.000 0.291 284 Y C 2.275 178.107 175.900 -0.114 0.000 1.137 284 Y CA 1.816 59.887 58.100 -0.048 0.000 1.202 284 Y CB -0.149 38.299 38.460 -0.019 0.000 0.990 284 Y HN 0.520 nan 8.280 nan 0.000 0.537 285 E N -0.935 119.117 120.200 -0.248 0.000 2.107 285 E HA -0.151 4.199 4.350 0.000 0.000 0.191 285 E C 1.892 178.232 176.600 -0.433 0.000 0.982 285 E CA 1.013 57.239 56.400 -0.290 0.000 0.809 285 E CB 0.034 29.669 29.700 -0.109 0.000 0.756 285 E HN 0.378 nan 8.360 nan 0.000 0.459 286 M N -0.644 118.512 119.600 -0.739 0.000 2.435 286 M HA 0.044 4.524 4.480 0.000 0.000 0.265 286 M C 0.642 176.296 176.300 -1.078 0.000 1.104 286 M CA 0.844 55.504 55.300 -1.067 0.000 1.140 286 M CB 0.179 31.636 32.600 -1.906 0.000 1.372 286 M HN 0.112 nan 8.290 nan 0.000 0.456 287 F N -0.958 118.750 119.950 -0.404 0.000 2.798 287 F HA 0.367 4.894 4.527 0.000 0.000 0.328 287 F C 0.744 176.400 175.800 -0.239 0.000 1.098 287 F CA -0.354 57.483 58.000 -0.272 0.000 1.172 287 F CB 0.145 39.000 39.000 -0.241 0.000 1.072 287 F HN 0.015 nan 8.300 nan 0.000 0.555 288 R N 1.304 121.659 120.500 -0.241 0.000 3.847 288 R HA -0.282 4.058 4.340 0.000 0.000 0.304 288 R C -0.308 175.992 176.300 -0.001 0.000 1.203 288 R CA 1.073 56.940 56.100 -0.388 0.000 0.835 288 R CB -2.229 27.911 30.300 -0.267 0.000 1.253 288 R HN 0.568 nan 8.270 nan 0.000 0.516 289 N N -0.121 118.658 118.700 0.133 0.000 2.533 289 N HA 0.077 4.817 4.740 0.000 0.000 0.289 289 N C 0.477 176.107 175.510 0.201 0.000 1.103 289 N CA -0.332 52.828 53.050 0.183 0.000 0.877 289 N CB 1.297 39.830 38.487 0.077 0.000 1.419 289 N HN 0.134 nan 8.380 nan 0.000 0.517 290 E N 1.464 121.800 120.200 0.228 0.000 2.204 290 E HA -0.080 4.270 4.350 0.000 0.000 0.195 290 E C 0.546 177.215 176.600 0.116 0.000 0.990 290 E CA 0.989 57.486 56.400 0.162 0.000 0.821 290 E CB 0.345 30.082 29.700 0.063 0.000 0.750 290 E HN 0.482 nan 8.360 nan 0.000 0.477 291 R N -0.632 119.910 120.500 0.070 0.000 2.466 291 R HA 0.231 4.571 4.340 0.000 0.000 0.279 291 R C 1.270 177.545 176.300 -0.041 0.000 0.976 291 R CA 0.416 56.542 56.100 0.043 0.000 1.081 291 R CB -0.022 30.299 30.300 0.034 0.000 1.215 291 R HN 0.094 nan 8.270 nan 0.000 0.546 292 A N 1.177 123.941 122.820 -0.092 0.000 1.917 292 A HA -0.097 4.223 4.320 0.000 0.000 0.219 292 A C 1.032 178.421 177.584 -0.325 0.000 1.182 292 A CA 1.012 52.862 52.037 -0.313 0.000 0.633 292 A CB -0.096 18.529 19.000 -0.624 0.000 0.819 292 A HN 0.100 nan 8.150 nan 0.000 0.448 293 I N 1.294 121.725 120.570 -0.232 0.000 2.307 293 I HA 0.255 4.425 4.170 0.000 0.000 0.289 293 I C -0.202 175.654 176.117 -0.436 0.000 1.021 293 I CA -0.498 60.611 61.300 -0.318 0.000 1.224 293 I CB 0.575 38.407 38.000 -0.280 0.000 1.376 293 I HN 0.212 nan 8.210 nan 0.000 0.470 294 R N 5.290 125.580 120.500 -0.350 0.000 2.641 294 R HA 0.450 4.790 4.340 0.000 0.000 0.269 294 R C -0.920 175.116 176.300 -0.440 0.000 1.074 294 R CA -0.161 55.803 56.100 -0.227 0.000 1.133 294 R CB 0.468 30.728 30.300 -0.067 0.000 1.029 294 R HN 0.232 nan 8.270 nan 0.000 0.488 295 F N -0.303 119.701 119.950 0.090 0.000 2.551 295 F HA 0.413 4.940 4.527 0.000 0.000 0.316 295 F C -0.223 175.667 175.800 0.151 0.000 1.089 295 F CA -0.905 57.148 58.000 0.087 0.000 0.915 295 F CB 2.019 41.050 39.000 0.052 0.000 1.186 295 F HN -0.002 nan 8.300 nan 0.000 0.456 296 V N 3.777 123.894 119.914 0.339 0.000 2.577 296 V HA 0.663 4.783 4.120 0.000 0.000 0.303 296 V C -0.652 175.612 176.094 0.284 0.000 1.042 296 V CA -0.902 61.571 62.300 0.287 0.000 0.872 296 V CB 1.800 33.730 31.823 0.180 0.000 0.998 296 V HN 0.642 nan 8.190 nan 0.000 0.423 297 V N 2.318 122.420 119.914 0.315 0.000 3.096 297 V HA 0.742 4.862 4.120 0.000 0.000 0.319 297 V C -0.349 175.954 176.094 0.349 0.000 1.103 297 V CA -1.019 61.473 62.300 0.320 0.000 1.016 297 V CB 2.097 34.160 31.823 0.400 0.000 1.090 297 V HN 0.779 nan 8.190 nan 0.000 0.449 298 M N 2.167 121.989 119.600 0.371 0.000 2.205 298 M HA 0.676 5.156 4.480 0.000 0.000 0.344 298 M C -1.182 175.431 176.300 0.520 0.000 1.085 298 M CA -0.558 54.967 55.300 0.375 0.000 1.001 298 M CB 1.946 34.735 32.600 0.316 0.000 1.626 298 M HN 0.566 nan 8.290 nan 0.000 0.442 299 V N 1.777 121.931 119.914 0.400 0.000 2.487 299 V HA 0.538 4.658 4.120 0.000 0.000 0.298 299 V C 0.180 176.401 176.094 0.212 0.000 1.028 299 V CA -0.840 61.691 62.300 0.385 0.000 0.860 299 V CB 1.803 33.799 31.823 0.289 0.000 0.991 299 V HN 0.946 nan 8.190 nan 0.000 0.427 300 T N 2.159 116.830 114.554 0.195 0.000 2.902 300 T HA 0.401 4.751 4.350 0.000 0.000 0.280 300 T C -1.969 172.784 174.700 0.087 0.000 0.992 300 T CA -1.984 60.158 62.100 0.070 0.000 1.015 300 T CB 1.715 70.603 68.868 0.034 0.000 1.044 300 T HN 0.384 nan 8.240 nan 0.000 0.520 301 P HA -0.045 nan 4.420 nan 0.000 0.219 301 P C 1.028 178.358 177.300 0.050 0.000 1.146 301 P CA 0.895 64.023 63.100 0.048 0.000 0.808 301 P CB 0.112 31.832 31.700 0.032 0.000 0.779 302 E N -0.370 119.869 120.200 0.065 0.000 2.001 302 E HA -0.148 4.202 4.350 0.000 0.000 0.193 302 E C 1.802 178.447 176.600 0.075 0.000 0.994 302 E CA 1.216 57.658 56.400 0.071 0.000 0.815 302 E CB -1.152 28.603 29.700 0.090 0.000 0.770 302 E HN 0.221 nan 8.360 nan 0.000 0.453 303 D N 0.125 120.597 120.400 0.121 0.000 2.221 303 D HA -0.148 4.492 4.640 0.000 0.000 0.204 303 D C 1.908 178.209 176.300 0.001 0.000 0.982 303 D CA 0.617 54.684 54.000 0.112 0.000 0.857 303 D CB -0.062 40.896 40.800 0.264 0.000 0.934 303 D HN 0.043 nan 8.370 nan 0.000 0.475 304 L N 0.857 122.082 121.223 0.004 0.000 2.072 304 L HA -0.069 4.271 4.340 0.000 0.000 0.205 304 L C 1.976 178.815 176.870 -0.053 0.000 1.079 304 L CA 1.538 56.340 54.840 -0.062 0.000 0.752 304 L CB -0.231 41.820 42.059 -0.013 0.000 0.906 304 L HN -0.262 nan 8.230 nan 0.000 0.436 305 K N -0.125 120.268 120.400 -0.012 0.000 2.103 305 K HA 0.070 4.390 4.320 0.000 0.000 0.204 305 K C 1.882 178.473 176.600 -0.014 0.000 1.052 305 K CA 1.173 57.455 56.287 -0.009 0.000 0.945 305 K CB -0.232 32.273 32.500 0.008 0.000 0.722 305 K HN 0.398 nan 8.250 nan 0.000 0.443 306 A N 0.832 123.648 122.820 -0.007 0.000 2.168 306 A HA -0.045 4.275 4.320 0.000 0.000 0.215 306 A C -0.110 177.455 177.584 -0.032 0.000 1.152 306 A CA 0.424 52.459 52.037 -0.004 0.000 0.716 306 A CB -0.472 18.541 19.000 0.022 0.000 0.794 306 A HN 0.540 nan 8.150 nan 0.000 0.465 307 N N -1.533 117.124 118.700 -0.071 0.000 2.525 307 N HA -0.108 4.632 4.740 0.000 0.000 0.283 307 N C -0.277 175.150 175.510 -0.139 0.000 1.259 307 N CA 0.771 53.749 53.050 -0.120 0.000 0.689 307 N CB -1.139 37.296 38.487 -0.087 0.000 0.899 307 N HN 0.725 nan 8.380 nan 0.000 0.541 308 A N 1.162 123.841 122.820 -0.234 0.000 2.354 308 A HA 0.387 4.707 4.320 0.000 0.000 0.269 308 A C 1.254 178.649 177.584 -0.316 0.000 1.109 308 A CA -0.351 51.534 52.037 -0.254 0.000 0.800 308 A CB 0.462 19.234 19.000 -0.380 0.000 1.045 308 A HN 0.491 nan 8.150 nan 0.000 0.489 309 E N 0.642 120.763 120.200 -0.131 0.000 2.118 309 E HA -0.237 4.113 4.350 0.000 0.000 0.195 309 E C 1.441 177.985 176.600 -0.093 0.000 0.992 309 E CA 2.359 58.709 56.400 -0.083 0.000 0.804 309 E CB -0.579 29.123 29.700 0.003 0.000 0.741 309 E HN 0.928 nan 8.360 nan 0.000 0.458 310 Y N -0.406 119.861 120.300 -0.056 0.000 2.333 310 Y HA -0.070 4.480 4.550 0.000 0.000 0.290 310 Y C 1.809 177.672 175.900 -0.062 0.000 1.144 310 Y CA 0.700 58.758 58.100 -0.070 0.000 1.228 310 Y CB -0.670 37.745 38.460 -0.075 0.000 0.985 310 Y HN -0.032 nan 8.280 nan 0.000 0.542 311 I N 0.827 121.025 120.570 -0.620 0.000 2.090 311 I HA -0.273 3.897 4.170 0.000 0.000 0.236 311 I C 2.152 178.142 176.117 -0.211 0.000 1.064 311 I CA 1.796 62.829 61.300 -0.446 0.000 1.324 311 I CB -0.418 37.183 38.000 -0.666 0.000 1.044 311 I HN 0.054 nan 8.210 nan 0.000 0.399 312 K N 0.180 120.450 120.400 -0.216 0.000 2.360 312 K HA -0.130 4.190 4.320 0.000 0.000 0.201 312 K C 1.923 178.488 176.600 -0.059 0.000 1.046 312 K CA 1.231 57.447 56.287 -0.119 0.000 0.940 312 K CB -0.265 32.169 32.500 -0.111 0.000 0.748 312 K HN 0.320 nan 8.250 nan 0.000 0.465 313 M N -0.126 119.445 119.600 -0.048 0.000 2.193 313 M HA 0.044 4.524 4.480 0.000 0.000 0.265 313 M C 0.566 176.879 176.300 0.021 0.000 1.071 313 M CA 0.537 55.827 55.300 -0.017 0.000 1.140 313 M CB 0.088 32.676 32.600 -0.019 0.000 1.369 313 M HN 0.086 nan 8.290 nan 0.000 0.423 314 A N 0.721 123.579 122.820 0.064 0.000 2.409 314 A HA -0.041 4.279 4.320 0.000 0.000 0.246 314 A C 0.528 178.188 177.584 0.125 0.000 1.099 314 A CA 0.173 52.296 52.037 0.142 0.000 0.789 314 A CB -0.024 19.108 19.000 0.220 0.000 1.053 314 A HN 0.532 nan 8.150 nan 0.000 0.503 315 D N -0.875 119.631 120.400 0.177 0.000 2.271 315 D HA 0.084 4.724 4.640 0.000 0.000 0.206 315 D C -0.315 175.844 176.300 -0.235 0.000 0.967 315 D CA 1.364 55.384 54.000 0.033 0.000 0.867 315 D CB 0.091 40.992 40.800 0.168 0.000 0.960 315 D HN 0.669 nan 8.370 nan 0.000 0.509 316 H N -1.699 117.470 119.070 0.165 0.000 3.046 316 H HA 0.297 4.853 4.556 0.000 0.000 0.363 316 H C -1.233 174.232 175.328 0.229 0.000 1.203 316 H CA -0.935 55.199 56.048 0.143 0.000 1.169 316 H CB 1.342 31.144 29.762 0.066 0.000 1.851 316 H HN -0.085 nan 8.280 nan 0.000 0.546 317 Y N 0.288 120.699 120.300 0.186 0.000 2.492 317 Y HA 0.658 5.208 4.550 0.000 0.000 0.346 317 Y C -1.537 174.443 175.900 0.134 0.000 0.997 317 Y CA -1.413 56.784 58.100 0.162 0.000 1.025 317 Y CB 1.165 39.700 38.460 0.125 0.000 1.263 317 Y HN 0.514 nan 8.280 nan 0.000 0.454 318 V N 1.448 121.456 119.914 0.158 0.000 2.448 318 V HA 0.733 4.853 4.120 0.000 0.000 0.295 318 V C -3.079 173.098 176.094 0.139 0.000 1.025 318 V CA -2.850 59.470 62.300 0.033 0.000 0.859 318 V CB 1.366 33.214 31.823 0.040 0.000 0.988 318 V HN 0.681 nan 8.190 nan 0.000 0.431 319 P HA 0.416 nan 4.420 nan 0.000 0.276 319 P C -0.366 176.967 177.300 0.055 0.000 1.235 319 P CA 0.026 63.204 63.100 0.130 0.000 0.772 319 P CB 1.273 33.037 31.700 0.107 0.000 0.871 320 V N 1.166 121.097 119.914 0.028 0.000 3.074 320 V HA 0.741 4.861 4.120 0.000 0.000 0.314 320 V C -2.795 173.264 176.094 -0.058 0.000 1.117 320 V CA -3.322 58.954 62.300 -0.040 0.000 1.014 320 V CB 1.479 33.235 31.823 -0.111 0.000 1.057 320 V HN 0.225 nan 8.190 nan 0.000 0.438 321 P HA 0.285 nan 4.420 nan 0.000 0.267 321 P C 0.397 177.646 177.300 -0.085 0.000 1.200 321 P CA 0.883 63.946 63.100 -0.062 0.000 0.772 321 P CB 0.421 32.085 31.700 -0.060 0.000 0.855 322 G N 1.010 109.782 108.800 -0.047 0.000 2.494 322 G HA2 0.554 4.514 3.960 0.000 0.000 0.270 322 G HA3 0.554 4.514 3.960 0.000 0.000 0.270 322 G C 0.220 175.097 174.900 -0.039 0.000 1.423 322 G CA -0.104 44.974 45.100 -0.038 0.000 1.055 322 G HN 0.839 nan 8.290 nan 0.000 0.536 323 G N -1.006 107.786 108.800 -0.012 0.000 2.660 323 G HA2 -0.012 3.948 3.960 0.000 0.000 0.215 323 G HA3 -0.012 3.948 3.960 0.000 0.000 0.215 323 G C -2.423 172.473 174.900 -0.007 0.000 1.345 323 G CA -0.169 44.928 45.100 -0.006 0.000 0.877 323 G HN 0.838 nan 8.290 nan 0.000 0.549 324 P HA 0.101 nan 4.420 nan 0.000 0.268 324 P C 1.030 178.312 177.300 -0.030 0.000 1.208 324 P CA 0.483 63.586 63.100 0.005 0.000 0.777 324 P CB 0.031 31.736 31.700 0.008 0.000 0.875 325 N N 1.765 120.450 118.700 -0.024 0.000 2.430 325 N HA -0.217 4.523 4.740 0.000 0.000 0.186 325 N C 1.054 176.501 175.510 -0.106 0.000 1.032 325 N CA 0.555 53.544 53.050 -0.101 0.000 0.893 325 N CB -0.623 37.783 38.487 -0.135 0.000 0.957 325 N HN 0.383 nan 8.380 nan 0.000 0.442 326 N N 0.993 119.660 118.700 -0.056 0.000 2.519 326 N HA -0.168 4.572 4.740 0.000 0.000 0.186 326 N C 0.219 175.691 175.510 -0.064 0.000 1.062 326 N CA 0.970 53.992 53.050 -0.047 0.000 0.910 326 N CB -0.529 37.944 38.487 -0.024 0.000 0.958 326 N HN 0.596 nan 8.380 nan 0.000 0.445 327 N N -0.313 118.337 118.700 -0.084 0.000 2.280 327 N HA 0.003 4.743 4.740 0.000 0.000 0.192 327 N C 0.178 175.600 175.510 -0.145 0.000 1.109 327 N CA 0.163 53.158 53.050 -0.091 0.000 0.855 327 N CB 0.202 38.643 38.487 -0.076 0.000 0.974 327 N HN 0.467 nan 8.380 nan 0.000 0.482 328 N N -1.156 117.418 118.700 -0.211 0.000 2.460 328 N HA 0.006 4.746 4.740 0.000 0.000 0.176 328 N C 0.336 175.650 175.510 -0.327 0.000 1.837 328 N CA -0.427 52.416 53.050 -0.345 0.000 1.392 328 N CB -0.278 37.843 38.487 -0.610 0.000 1.004 328 N HN -0.194 nan 8.380 nan 0.000 0.714 329 Y N 0.460 120.639 120.300 -0.201 0.000 2.283 329 Y HA 0.080 4.630 4.550 0.000 0.000 0.285 329 Y C 2.143 177.885 175.900 -0.264 0.000 1.176 329 Y CA 1.333 59.259 58.100 -0.291 0.000 1.229 329 Y CB -0.788 37.291 38.460 -0.635 0.000 0.975 329 Y HN 0.591 nan 8.280 nan 0.000 0.537 330 A N -0.905 121.826 122.820 -0.149 0.000 2.308 330 A HA 0.050 4.370 4.320 0.000 0.000 0.217 330 A C 0.911 178.472 177.584 -0.039 0.000 1.216 330 A CA -0.217 51.790 52.037 -0.051 0.000 0.864 330 A CB -0.283 18.698 19.000 -0.032 0.000 0.902 330 A HN 0.242 nan 8.150 nan 0.000 0.499 331 N N 1.364 120.028 118.700 -0.060 0.000 2.482 331 N HA 0.151 4.891 4.740 0.000 0.000 0.242 331 N C 0.966 176.453 175.510 -0.038 0.000 1.100 331 N CA 0.052 53.072 53.050 -0.049 0.000 0.946 331 N CB 1.004 39.453 38.487 -0.064 0.000 1.227 331 N HN 0.016 nan 8.380 nan 0.000 0.508 332 V N 3.718 123.611 119.914 -0.036 0.000 2.392 332 V HA -0.256 3.864 4.120 0.000 0.000 0.249 332 V C 1.610 177.682 176.094 -0.038 0.000 1.059 332 V CA 1.784 64.057 62.300 -0.045 0.000 1.051 332 V CB -0.343 31.445 31.823 -0.057 0.000 0.658 332 V HN 0.594 nan 8.190 nan 0.000 0.455 333 E N 0.117 120.299 120.200 -0.030 0.000 2.208 333 E HA -0.143 4.207 4.350 0.000 0.000 0.193 333 E C 1.892 178.479 176.600 -0.023 0.000 0.988 333 E CA 0.806 57.191 56.400 -0.025 0.000 0.828 333 E CB -0.320 29.368 29.700 -0.020 0.000 0.763 333 E HN 0.497 nan 8.360 nan 0.000 0.478 334 L N 0.527 121.734 121.223 -0.026 0.000 2.068 334 L HA 0.001 4.341 4.340 0.000 0.000 0.204 334 L C 1.849 178.712 176.870 -0.012 0.000 1.076 334 L CA 1.431 56.256 54.840 -0.025 0.000 0.753 334 L CB -0.281 41.753 42.059 -0.041 0.000 0.910 334 L HN 0.100 nan 8.230 nan 0.000 0.439 335 I N -1.186 119.379 120.570 -0.008 0.000 2.099 335 I HA -0.300 3.870 4.170 0.000 0.000 0.239 335 I C 2.386 178.510 176.117 0.011 0.000 1.066 335 I CA 1.576 62.885 61.300 0.015 0.000 1.324 335 I CB -0.632 37.380 38.000 0.020 0.000 1.037 335 I HN 0.071 nan 8.210 nan 0.000 0.401 336 V N 1.102 121.011 119.914 -0.007 0.000 2.324 336 V HA -0.361 3.759 4.120 0.000 0.000 0.250 336 V C 2.258 178.350 176.094 -0.003 0.000 1.060 336 V CA 2.433 64.728 62.300 -0.009 0.000 1.042 336 V CB -0.802 31.007 31.823 -0.024 0.000 0.650 336 V HN 0.516 nan 8.190 nan 0.000 0.450 337 D N 0.207 120.603 120.400 -0.006 0.000 2.092 337 D HA -0.177 4.463 4.640 0.000 0.000 0.193 337 D C 1.936 178.235 176.300 -0.001 0.000 0.994 337 D CA 1.818 55.815 54.000 -0.006 0.000 0.828 337 D CB -0.226 40.568 40.800 -0.009 0.000 0.963 337 D HN 0.452 nan 8.370 nan 0.000 0.450 338 I N 0.447 121.021 120.570 0.005 0.000 2.226 338 I HA -0.233 3.937 4.170 0.000 0.000 0.245 338 I C 2.549 178.675 176.117 0.014 0.000 1.100 338 I CA 1.017 62.323 61.300 0.011 0.000 1.374 338 I CB -0.481 37.535 38.000 0.026 0.000 1.057 338 I HN 0.048 nan 8.210 nan 0.000 0.413 339 A N 1.161 123.995 122.820 0.023 0.000 1.908 339 A HA -0.247 4.073 4.320 0.000 0.000 0.218 339 A C 2.340 179.930 177.584 0.010 0.000 1.181 339 A CA 1.852 53.905 52.037 0.026 0.000 0.627 339 A CB -0.477 18.545 19.000 0.036 0.000 0.818 339 A HN 0.359 nan 8.150 nan 0.000 0.445 340 K N -0.742 119.661 120.400 0.004 0.000 2.057 340 K HA -0.096 4.224 4.320 0.000 0.000 0.206 340 K C 2.315 178.910 176.600 -0.008 0.000 1.050 340 K CA 1.468 57.754 56.287 -0.002 0.000 0.935 340 K CB -0.180 32.318 32.500 -0.003 0.000 0.715 340 K HN 0.417 nan 8.250 nan 0.000 0.439 341 R N 0.637 121.131 120.500 -0.010 0.000 2.090 341 R HA -0.005 4.335 4.340 0.000 0.000 0.228 341 R C 2.346 178.629 176.300 -0.027 0.000 1.110 341 R CA 0.983 57.072 56.100 -0.017 0.000 0.973 341 R CB -0.416 29.874 30.300 -0.017 0.000 0.869 341 R HN 0.163 nan 8.270 nan 0.000 0.440 342 I N 1.363 121.915 120.570 -0.031 0.000 2.068 342 I HA -0.186 3.984 4.170 0.000 0.000 0.238 342 I C -0.840 175.239 176.117 -0.064 0.000 1.046 342 I CA 1.044 62.311 61.300 -0.055 0.000 1.306 342 I CB -1.306 36.660 38.000 -0.057 0.000 1.023 342 I HN 0.226 nan 8.210 nan 0.000 0.399 343 P HA 0.354 nan 4.420 nan 0.000 0.289 343 P C -0.921 176.358 177.300 -0.034 0.000 1.302 343 P CA -0.215 62.866 63.100 -0.031 0.000 0.923 343 P CB 2.517 34.204 31.700 -0.021 0.000 1.238 344 V N -1.163 118.742 119.914 -0.014 0.000 3.093 344 V HA 0.432 4.552 4.120 0.000 0.000 0.320 344 V C 0.678 176.772 176.094 -0.000 0.000 1.093 344 V CA -0.451 61.842 62.300 -0.012 0.000 1.016 344 V CB 1.429 33.260 31.823 0.014 0.000 1.096 344 V HN 0.392 nan 8.190 nan 0.000 0.452 345 Q N 1.029 120.828 119.800 -0.002 0.000 2.319 345 Q HA 0.730 5.070 4.340 0.000 0.000 0.209 345 Q C 0.312 176.333 176.000 0.035 0.000 0.884 345 Q CA 0.935 56.745 55.803 0.012 0.000 0.938 345 Q CB 1.097 29.837 28.738 0.004 0.000 1.098 345 Q HN 1.205 nan 8.270 nan 0.000 0.517 346 A N -0.927 121.922 122.820 0.047 0.000 2.586 346 A HA 0.692 5.012 4.320 0.000 0.000 0.291 346 A C -1.615 176.047 177.584 0.129 0.000 1.062 346 A CA -0.592 51.497 52.037 0.087 0.000 0.666 346 A CB 1.204 20.246 19.000 0.070 0.000 1.281 346 A HN -0.068 nan 8.150 nan 0.000 0.421 347 V N 0.098 120.129 119.914 0.194 0.000 2.735 347 V HA 0.664 4.784 4.120 0.000 0.000 0.310 347 V C -1.315 174.943 176.094 0.273 0.000 1.061 347 V CA -0.249 62.201 62.300 0.250 0.000 0.913 347 V CB 1.986 33.959 31.823 0.250 0.000 1.005 347 V HN 0.984 nan 8.190 nan 0.000 0.428 348 W N 3.908 125.245 121.300 0.061 0.000 2.600 348 W HA 0.695 5.355 4.660 0.000 0.000 0.325 348 W C 0.212 176.723 176.519 -0.014 0.000 1.034 348 W CA -0.201 57.116 57.345 -0.047 0.000 1.226 348 W CB 2.125 31.559 29.460 -0.043 0.000 1.379 348 W HN 0.626 nan 8.180 nan 0.000 0.466 349 A N 4.576 127.038 122.820 -0.597 0.000 2.358 349 A HA 0.510 4.830 4.320 0.000 0.000 0.223 349 A C 1.447 178.415 177.584 -1.028 0.000 1.218 349 A CA 0.828 52.578 52.037 -0.478 0.000 0.942 349 A CB -0.617 18.322 19.000 -0.102 0.000 1.005 349 A HN 1.507 nan 8.150 nan 0.000 0.514 350 G N -0.028 107.542 108.800 -2.051 0.000 2.646 350 G HA2 -0.319 3.641 3.960 0.000 0.000 0.324 350 G HA3 -0.319 3.641 3.960 0.000 0.000 0.324 350 G C 0.133 174.648 174.900 -0.643 0.000 1.195 350 G CA 1.243 45.211 45.100 -1.887 0.000 0.976 350 G HN 1.665 nan 8.290 nan 0.000 0.546 351 W N -1.124 119.930 121.300 -0.411 0.000 2.975 351 W HA 0.720 5.380 4.660 0.000 0.000 0.342 351 W C 0.565 176.927 176.519 -0.262 0.000 1.168 351 W CA -0.571 56.623 57.345 -0.251 0.000 1.141 351 W CB 0.730 30.098 29.460 -0.154 0.000 1.445 351 W HN 2.408 nan 8.180 nan 0.000 0.560 352 G N 0.268 109.085 108.800 0.028 0.000 2.828 352 G HA2 -0.072 3.888 3.960 0.000 0.000 0.463 352 G HA3 -0.072 3.888 3.960 0.000 0.000 0.463 352 G C -0.051 174.771 174.900 -0.130 0.000 1.394 352 G CA 0.568 45.596 45.100 -0.121 0.000 0.862 352 G HN 1.622 nan 8.290 nan 0.000 0.540 353 H N -1.736 117.338 119.070 0.008 0.000 1.452 353 H HA -0.212 4.344 4.556 0.000 0.000 0.090 353 H C 2.091 177.413 175.328 -0.009 0.000 0.910 353 H CA 1.477 57.530 56.048 0.009 0.000 1.901 353 H CB -1.231 28.538 29.762 0.011 0.000 2.257 353 H HN 1.957 nan 8.280 nan 0.000 0.961 354 A N 0.846 123.758 122.820 0.153 0.000 2.337 354 A HA 0.142 4.462 4.320 0.000 0.000 0.227 354 A C 1.949 179.533 177.584 -0.001 0.000 1.259 354 A CA 0.765 52.824 52.037 0.037 0.000 0.870 354 A CB -0.432 18.572 19.000 0.007 0.000 0.927 354 A HN 0.577 nan 8.150 nan 0.000 0.497 355 S N -0.132 115.573 115.700 0.007 0.000 2.474 355 S HA -0.104 4.366 4.470 0.000 0.000 0.235 355 S C 0.904 175.518 174.600 0.025 0.000 0.997 355 S CA 1.322 59.527 58.200 0.008 0.000 0.949 355 S CB -0.214 62.934 63.200 -0.087 0.000 0.766 355 S HN 0.667 nan 8.310 nan 0.000 0.517 356 E N 0.847 121.041 120.200 -0.011 0.000 2.603 356 E HA 0.223 4.573 4.350 0.000 0.000 0.211 356 E C -0.491 176.052 176.600 -0.094 0.000 0.995 356 E CA -0.324 56.056 56.400 -0.032 0.000 0.990 356 E CB 0.213 29.904 29.700 -0.014 0.000 1.036 356 E HN 0.335 nan 8.360 nan 0.000 0.475 357 N N 2.256 120.884 118.700 -0.120 0.000 2.462 357 N HA 0.082 4.822 4.740 0.000 0.000 0.242 357 N C -1.620 173.713 175.510 -0.295 0.000 1.010 357 N CA -2.297 50.648 53.050 -0.174 0.000 0.939 357 N CB 1.169 39.587 38.487 -0.116 0.000 1.127 357 N HN -0.122 nan 8.380 nan 0.000 0.509 358 P HA -0.171 nan 4.420 nan 0.000 0.220 358 P C 0.446 177.476 177.300 -0.449 0.000 1.144 358 P CA 1.236 63.935 63.100 -0.668 0.000 0.800 358 P CB 0.489 31.321 31.700 -1.446 0.000 0.772 359 K N -1.065 119.180 120.400 -0.258 0.000 2.365 359 K HA -0.065 4.255 4.320 0.000 0.000 0.199 359 K C 2.039 178.539 176.600 -0.167 0.000 1.045 359 K CA 0.363 56.591 56.287 -0.099 0.000 0.962 359 K CB -0.420 32.075 32.500 -0.008 0.000 0.759 359 K HN 0.087 nan 8.250 nan 0.000 0.469 360 L N 1.979 123.035 121.223 -0.278 0.000 2.007 360 L HA -0.036 4.304 4.340 0.000 0.000 0.205 360 L C -1.309 175.264 176.870 -0.495 0.000 1.073 360 L CA 1.530 56.157 54.840 -0.355 0.000 0.744 360 L CB -0.852 40.953 42.059 -0.424 0.000 0.898 360 L HN 0.003 nan 8.230 nan 0.000 0.435 361 P HA -0.205 nan 4.420 nan 0.000 0.220 361 P C 1.313 178.452 177.300 -0.268 0.000 1.148 361 P CA 1.490 64.193 63.100 -0.662 0.000 0.803 361 P CB 0.052 31.366 31.700 -0.643 0.000 0.782 362 E N 0.267 120.345 120.200 -0.205 0.000 2.015 362 E HA -0.102 4.248 4.350 0.000 0.000 0.191 362 E C 2.219 178.789 176.600 -0.051 0.000 0.991 362 E CA 0.760 57.121 56.400 -0.065 0.000 0.802 362 E CB -0.462 29.255 29.700 0.028 0.000 0.759 362 E HN 0.128 nan 8.360 nan 0.000 0.447 363 L N 0.801 121.982 121.223 -0.069 0.000 2.131 363 L HA -0.167 4.173 4.340 0.000 0.000 0.210 363 L C 2.538 179.377 176.870 -0.051 0.000 1.092 363 L CA 0.563 55.375 54.840 -0.047 0.000 0.759 363 L CB -0.219 41.810 42.059 -0.049 0.000 0.903 363 L HN 0.280 nan 8.230 nan 0.000 0.435 364 L N -1.244 119.929 121.223 -0.084 0.000 2.072 364 L HA -0.255 4.085 4.340 0.000 0.000 0.205 364 L C 2.818 179.676 176.870 -0.020 0.000 1.079 364 L CA 1.006 55.815 54.840 -0.052 0.000 0.752 364 L CB -0.544 41.472 42.059 -0.071 0.000 0.906 364 L HN 0.417 nan 8.230 nan 0.000 0.436 365 C N 0.331 119.615 119.300 -0.026 0.000 2.425 365 C HA -0.183 4.277 4.460 0.000 0.000 0.277 365 C C 2.833 177.825 174.990 0.003 0.000 1.280 365 C CA 0.965 59.983 59.018 -0.002 0.000 1.744 365 C CB -0.617 27.122 27.740 -0.002 0.000 1.989 365 C HN 0.398 nan 8.230 nan 0.000 0.491 366 K N 0.047 120.446 120.400 -0.003 0.000 2.362 366 K HA -0.044 4.276 4.320 0.000 0.000 0.200 366 K C 0.499 177.101 176.600 0.002 0.000 1.046 366 K CA 1.354 57.643 56.287 0.002 0.000 0.952 366 K CB -0.106 32.395 32.500 0.001 0.000 0.753 366 K HN 0.592 nan 8.250 nan 0.000 0.466 367 N N -0.767 117.933 118.700 0.000 0.000 2.275 367 N HA 0.140 4.880 4.740 0.000 0.000 0.236 367 N C -0.406 175.109 175.510 0.007 0.000 1.154 367 N CA 0.423 53.475 53.050 0.002 0.000 0.866 367 N CB 1.638 40.125 38.487 -0.001 0.000 1.093 367 N HN 0.196 nan 8.380 nan 0.000 0.515 368 G N 0.193 109.000 108.800 0.011 0.000 2.273 368 G HA2 -0.245 3.715 3.960 0.000 0.000 0.280 368 G HA3 -0.245 3.715 3.960 0.000 0.000 0.280 368 G C -0.415 174.499 174.900 0.022 0.000 1.047 368 G CA 0.236 45.346 45.100 0.017 0.000 0.869 368 G HN 0.216 nan 8.290 nan 0.000 0.502 369 V N 0.352 120.282 119.914 0.026 0.000 2.407 369 V HA 0.759 4.879 4.120 0.000 0.000 0.291 369 V C 0.850 176.983 176.094 0.065 0.000 1.018 369 V CA -0.555 61.769 62.300 0.040 0.000 0.842 369 V CB 1.272 33.117 31.823 0.037 0.000 0.996 369 V HN 1.072 nan 8.190 nan 0.000 0.426 370 A N 4.757 127.622 122.820 0.075 0.000 2.429 370 A HA 0.602 4.922 4.320 0.000 0.000 0.242 370 A C -0.779 176.919 177.584 0.189 0.000 1.088 370 A CA 0.264 52.361 52.037 0.101 0.000 0.784 370 A CB 0.196 19.238 19.000 0.069 0.000 1.038 370 A HN 0.836 nan 8.150 nan 0.000 0.501 371 F N 0.611 120.551 119.950 -0.017 0.000 2.557 371 F HA 0.505 5.032 4.527 0.000 0.000 0.316 371 F C -0.784 175.000 175.800 -0.026 0.000 1.141 371 F CA -1.288 56.696 58.000 -0.028 0.000 0.922 371 F CB 1.551 40.512 39.000 -0.064 0.000 1.194 371 F HN 0.249 nan 8.300 nan 0.000 0.443 372 L N 6.136 127.044 121.223 -0.525 0.000 2.533 372 L HA 0.555 4.895 4.340 0.000 0.000 0.239 372 L C 0.447 176.840 176.870 -0.795 0.000 1.376 372 L CA 0.219 54.803 54.840 -0.425 0.000 1.240 372 L CB -0.728 41.321 42.059 -0.018 0.000 1.487 372 L HN 0.787 nan 8.230 nan 0.000 0.419 373 G N -0.159 108.117 108.800 -0.873 0.000 2.488 373 G HA2 0.403 4.363 3.960 0.000 0.000 0.301 373 G HA3 0.403 4.363 3.960 0.000 0.000 0.301 373 G C -3.246 171.455 174.900 -0.332 0.000 1.339 373 G CA -0.694 43.993 45.100 -0.688 0.000 0.803 373 G HN -0.088 nan 8.290 nan 0.000 0.482 374 P HA 0.257 nan 4.420 nan 0.000 0.269 374 P C -2.585 174.664 177.300 -0.084 0.000 1.209 374 P CA -0.728 62.117 63.100 -0.425 0.000 0.776 374 P CB 0.846 32.131 31.700 -0.691 0.000 0.876 375 P HA 0.015 nan 4.420 nan 0.000 0.277 375 P C 1.168 178.417 177.300 -0.084 0.000 1.240 375 P CA -0.159 62.917 63.100 -0.040 0.000 0.798 375 P CB 0.554 32.230 31.700 -0.039 0.000 0.979 376 S N 1.707 117.342 115.700 -0.110 0.000 2.374 376 S HA -0.266 4.204 4.470 0.000 0.000 0.227 376 S C 1.483 176.038 174.600 -0.074 0.000 1.037 376 S CA 1.703 59.777 58.200 -0.210 0.000 1.024 376 S CB -1.281 61.840 63.200 -0.132 0.000 0.861 376 S HN 0.436 nan 8.310 nan 0.000 0.456 377 E N 2.296 122.546 120.200 0.083 0.000 2.171 377 E HA -0.005 4.345 4.350 0.000 0.000 0.197 377 E C 2.235 178.905 176.600 0.117 0.000 0.997 377 E CA 1.322 57.819 56.400 0.163 0.000 0.810 377 E CB -0.682 29.083 29.700 0.109 0.000 0.738 377 E HN 0.754 nan 8.360 nan 0.000 0.467 378 A N -0.011 122.831 122.820 0.037 0.000 1.935 378 A HA -0.020 4.300 4.320 0.000 0.000 0.214 378 A C 2.086 179.703 177.584 0.054 0.000 1.178 378 A CA 0.932 52.998 52.037 0.049 0.000 0.640 378 A CB -0.238 18.766 19.000 0.006 0.000 0.825 378 A HN 0.141 nan 8.150 nan 0.000 0.447 379 M N -2.147 117.426 119.600 -0.044 0.000 2.156 379 M HA -0.137 4.343 4.480 0.000 0.000 0.264 379 M C 2.145 178.412 176.300 -0.055 0.000 1.067 379 M CA 1.329 56.566 55.300 -0.105 0.000 1.131 379 M CB -0.344 32.077 32.600 -0.298 0.000 1.368 379 M HN 0.655 nan 8.290 nan 0.000 0.416 380 W N 0.194 121.499 121.300 0.008 0.000 2.378 380 W HA -0.116 4.544 4.660 0.000 0.000 0.313 380 W C 2.566 179.083 176.519 -0.004 0.000 1.197 380 W CA 0.638 57.979 57.345 -0.005 0.000 1.304 380 W CB -0.293 29.158 29.460 -0.016 0.000 1.148 380 W HN 0.173 nan 8.180 nan 0.000 0.494 381 A N -0.291 122.676 122.820 0.246 0.000 2.234 381 A HA -0.146 4.174 4.320 0.000 0.000 0.216 381 A C 1.731 179.361 177.584 0.076 0.000 1.167 381 A CA 1.400 53.511 52.037 0.124 0.000 0.698 381 A CB -0.501 18.549 19.000 0.082 0.000 0.779 381 A HN 0.380 nan 8.150 nan 0.000 0.475 382 L N -2.415 118.869 121.223 0.101 0.000 2.500 382 L HA 0.426 4.766 4.340 0.000 0.000 0.219 382 L C 1.393 178.322 176.870 0.098 0.000 1.057 382 L CA 1.495 56.376 54.840 0.069 0.000 0.854 382 L CB -0.488 41.610 42.059 0.066 0.000 1.078 382 L HN 0.575 nan 8.230 nan 0.000 0.480 383 G N 0.503 109.391 108.800 0.147 0.000 2.606 383 G HA2 -0.395 3.565 3.960 0.000 0.000 0.285 383 G HA3 -0.395 3.565 3.960 0.000 0.000 0.285 383 G C -0.277 174.706 174.900 0.138 0.000 1.311 383 G CA 0.324 45.532 45.100 0.181 0.000 0.922 383 G HN 0.680 nan 8.290 nan 0.000 0.559 384 D N -0.447 120.058 120.400 0.175 0.000 2.289 384 D HA 0.366 5.006 4.640 0.000 0.000 0.266 384 D C 1.671 177.996 176.300 0.042 0.000 1.243 384 D CA 0.426 54.502 54.000 0.127 0.000 1.019 384 D CB 0.093 41.005 40.800 0.187 0.000 1.126 384 D HN 0.719 nan 8.370 nan 0.000 0.541 385 K N -0.328 120.043 120.400 -0.048 0.000 2.097 385 K HA -0.085 4.235 4.320 0.000 0.000 0.206 385 K C 1.878 178.198 176.600 -0.467 0.000 1.049 385 K CA 1.389 57.522 56.287 -0.256 0.000 0.933 385 K CB -0.687 31.618 32.500 -0.325 0.000 0.717 385 K HN 0.578 nan 8.250 nan 0.000 0.442 386 I N 0.964 121.262 120.570 -0.455 0.000 2.099 386 I HA -0.285 3.885 4.170 0.000 0.000 0.239 386 I C 2.517 178.579 176.117 -0.092 0.000 1.066 386 I CA 1.423 62.485 61.300 -0.397 0.000 1.324 386 I CB -0.728 37.019 38.000 -0.422 0.000 1.037 386 I HN 0.358 nan 8.210 nan 0.000 0.401 387 A N 1.149 124.033 122.820 0.107 0.000 1.851 387 A HA -0.265 4.055 4.320 0.000 0.000 0.216 387 A C 2.522 180.143 177.584 0.062 0.000 1.195 387 A CA 2.767 54.923 52.037 0.199 0.000 0.622 387 A CB -1.229 17.943 19.000 0.287 0.000 0.831 387 A HN 0.547 nan 8.150 nan 0.000 0.444 388 S N -0.879 114.838 115.700 0.029 0.000 2.402 388 S HA -0.182 4.288 4.470 0.000 0.000 0.233 388 S C 1.746 176.319 174.600 -0.045 0.000 1.030 388 S CA 2.117 60.318 58.200 0.002 0.000 1.003 388 S CB -1.242 62.011 63.200 0.088 0.000 0.813 388 S HN 0.538 nan 8.310 nan 0.000 0.477 389 T N 1.881 116.392 114.554 -0.071 0.000 2.857 389 T HA 0.071 4.421 4.350 0.000 0.000 0.266 389 T C 1.908 176.613 174.700 0.009 0.000 1.048 389 T CA 1.089 63.122 62.100 -0.111 0.000 1.139 389 T CB -0.483 68.030 68.868 -0.592 0.000 0.874 389 T HN 0.296 nan 8.240 nan 0.000 0.455 390 V N 1.462 121.438 119.914 0.103 0.000 2.287 390 V HA -0.167 3.953 4.120 0.000 0.000 0.248 390 V C 2.676 178.774 176.094 0.006 0.000 1.053 390 V CA 1.385 63.769 62.300 0.140 0.000 1.027 390 V CB -0.763 31.146 31.823 0.143 0.000 0.646 390 V HN 0.303 nan 8.190 nan 0.000 0.447 391 V N 0.318 120.191 119.914 -0.069 0.000 2.287 391 V HA -0.319 3.801 4.120 0.000 0.000 0.248 391 V C 2.740 178.695 176.094 -0.233 0.000 1.053 391 V CA 2.166 64.362 62.300 -0.172 0.000 1.027 391 V CB -1.263 30.432 31.823 -0.214 0.000 0.646 391 V HN 0.580 nan 8.190 nan 0.000 0.447 392 A N -0.841 121.783 122.820 -0.327 0.000 1.892 392 A HA -0.355 3.965 4.320 0.000 0.000 0.218 392 A C 2.169 179.641 177.584 -0.187 0.000 1.188 392 A CA 2.412 54.186 52.037 -0.438 0.000 0.631 392 A CB -0.556 18.033 19.000 -0.686 0.000 0.822 392 A HN 0.653 nan 8.150 nan 0.000 0.447 393 Q N -1.294 118.464 119.800 -0.070 0.000 2.079 393 Q HA -0.096 4.244 4.340 0.000 0.000 0.200 393 Q C 2.179 178.180 176.000 0.001 0.000 0.974 393 Q CA 1.765 57.573 55.803 0.008 0.000 0.840 393 Q CB -0.328 28.463 28.738 0.089 0.000 0.898 393 Q HN 0.678 nan 8.270 nan 0.000 0.430 394 T N 1.207 115.751 114.554 -0.017 0.000 2.803 394 T HA -0.098 4.252 4.350 0.000 0.000 0.269 394 T C 1.442 176.148 174.700 0.009 0.000 1.052 394 T CA 0.904 63.006 62.100 0.003 0.000 1.136 394 T CB -0.043 68.806 68.868 -0.032 0.000 0.864 394 T HN 0.198 nan 8.240 nan 0.000 0.467 395 L N 0.481 121.675 121.223 -0.049 0.000 2.611 395 L HA 0.211 4.551 4.340 0.000 0.000 0.229 395 L C 0.572 177.449 176.870 0.011 0.000 1.137 395 L CA 0.144 54.971 54.840 -0.021 0.000 0.901 395 L CB -0.373 41.628 42.059 -0.097 0.000 1.098 395 L HN 0.274 nan 8.230 nan 0.000 0.456 396 Q N -0.222 119.585 119.800 0.011 0.000 2.478 396 Q HA -0.160 4.180 4.340 0.000 0.000 0.286 396 Q C -0.653 175.354 176.000 0.011 0.000 1.299 396 Q CA 0.086 55.907 55.803 0.030 0.000 0.826 396 Q CB -1.597 27.183 28.738 0.070 0.000 1.199 396 Q HN 0.259 nan 8.270 nan 0.000 0.451 397 V N 0.769 120.661 119.914 -0.036 0.000 2.394 397 V HA 0.337 4.457 4.120 0.000 0.000 0.282 397 V C -1.749 174.310 176.094 -0.058 0.000 1.031 397 V CA -1.636 60.633 62.300 -0.051 0.000 0.881 397 V CB 1.322 33.109 31.823 -0.060 0.000 0.982 397 V HN 0.064 nan 8.190 nan 0.000 0.451 398 P HA 0.183 nan 4.420 nan 0.000 0.267 398 P C -0.232 177.090 177.300 0.036 0.000 1.201 398 P CA 0.326 63.327 63.100 -0.164 0.000 0.775 398 P CB 0.315 31.699 31.700 -0.526 0.000 0.854 399 T N -0.815 113.840 114.554 0.168 0.000 2.923 399 T HA 0.503 4.853 4.350 0.000 0.000 0.311 399 T C -0.319 174.533 174.700 0.253 0.000 1.183 399 T CA -1.029 61.210 62.100 0.233 0.000 1.020 399 T CB 0.440 69.415 68.868 0.178 0.000 1.165 399 T HN 0.081 nan 8.240 nan 0.000 0.482 400 L N 2.168 123.457 121.223 0.111 0.000 2.483 400 L HA 0.295 4.635 4.340 0.000 0.000 0.276 400 L C -2.028 174.946 176.870 0.172 0.000 1.213 400 L CA -1.770 53.062 54.840 -0.013 0.000 0.843 400 L CB -0.027 41.971 42.059 -0.101 0.000 1.107 400 L HN 0.478 nan 8.230 nan 0.000 0.487 401 P HA -0.068 nan 4.420 nan 0.000 0.262 401 P C -1.056 176.433 177.300 0.316 0.000 1.182 401 P CA 0.399 63.605 63.100 0.177 0.000 0.761 401 P CB 0.266 32.001 31.700 0.058 0.000 0.795 402 W N 0.634 121.934 121.300 0.002 0.000 2.959 402 W HA 0.238 4.898 4.660 0.000 0.000 0.358 402 W C 0.501 177.036 176.519 0.027 0.000 1.228 402 W CA -0.683 56.685 57.345 0.038 0.000 1.183 402 W CB -0.020 29.480 29.460 0.066 0.000 1.467 402 W HN 0.344 nan 8.180 nan 0.000 0.578 403 S N -0.199 115.517 115.700 0.028 0.000 2.493 403 S HA 0.021 4.491 4.470 0.000 0.000 0.243 403 S C 1.163 175.346 174.600 -0.694 0.000 0.991 403 S CA 1.550 59.624 58.200 -0.211 0.000 0.957 403 S CB -0.642 62.596 63.200 0.064 0.000 0.756 403 S HN 1.063 nan 8.310 nan 0.000 0.521 404 G N 0.304 108.030 108.800 -1.790 0.000 3.839 404 G HA2 0.389 4.349 3.960 0.000 0.000 0.286 404 G HA3 0.389 4.349 3.960 0.000 0.000 0.286 404 G C -0.165 173.875 174.900 -1.433 0.000 1.005 404 G CA -0.479 43.499 45.100 -1.869 0.000 0.824 404 G HN 0.390 nan 8.290 nan 0.000 0.489 405 S N 0.063 115.055 115.700 -1.179 0.000 2.558 405 S HA 0.406 4.876 4.470 0.000 0.000 0.288 405 S C 1.636 176.102 174.600 -0.224 0.000 1.318 405 S CA 1.039 58.997 58.200 -0.403 0.000 1.056 405 S CB 1.083 64.171 63.200 -0.186 0.000 0.853 405 S HN 1.352 nan 8.310 nan 0.000 0.505 406 G N 1.512 110.272 108.800 -0.066 0.000 2.299 406 G HA2 -0.232 3.728 3.960 0.000 0.000 0.237 406 G HA3 -0.232 3.728 3.960 0.000 0.000 0.237 406 G C 0.077 174.953 174.900 -0.039 0.000 1.027 406 G CA -0.180 44.891 45.100 -0.048 0.000 0.619 406 G HN 0.605 nan 8.290 nan 0.000 0.513 407 L N 2.471 123.650 121.223 -0.073 0.000 2.455 407 L HA 0.495 4.835 4.340 0.000 0.000 0.272 407 L C 1.144 178.029 176.870 0.026 0.000 1.174 407 L CA 0.938 55.755 54.840 -0.038 0.000 0.869 407 L CB 0.524 42.536 42.059 -0.079 0.000 1.130 407 L HN 0.590 nan 8.230 nan 0.000 0.474 408 T N 0.219 114.791 114.554 0.029 0.000 2.812 408 T HA 0.759 5.109 4.350 0.000 0.000 0.294 408 T C -0.554 174.178 174.700 0.052 0.000 1.159 408 T CA -0.759 61.367 62.100 0.044 0.000 1.008 408 T CB 2.068 70.964 68.868 0.046 0.000 1.289 408 T HN 0.172 nan 8.240 nan 0.000 0.514 409 V N 1.008 120.961 119.914 0.065 0.000 3.001 409 V HA 0.545 4.665 4.120 0.000 0.000 0.314 409 V C -0.721 175.454 176.094 0.135 0.000 1.099 409 V CA -1.309 61.043 62.300 0.087 0.000 0.989 409 V CB 1.900 33.770 31.823 0.077 0.000 1.040 409 V HN 1.086 nan 8.190 nan 0.000 0.434 410 E N 2.711 122.996 120.200 0.142 0.000 2.166 410 E HA 0.199 4.549 4.350 0.000 0.000 0.279 410 E C -0.638 176.129 176.600 0.277 0.000 1.095 410 E CA -0.045 56.450 56.400 0.159 0.000 0.888 410 E CB 0.872 30.633 29.700 0.102 0.000 1.041 410 E HN 0.708 nan 8.360 nan 0.000 0.414 419 G N 2.210 111.031 108.800 0.036 0.000 2.549 419 G HA2 -0.027 3.933 3.960 0.000 0.000 0.404 419 G HA3 -0.027 3.933 3.960 0.000 0.000 0.404 419 G C -1.151 173.812 174.900 0.104 0.000 1.292 419 G CA 0.028 45.172 45.100 0.073 0.000 0.935 419 G HN 0.670 nan 8.290 nan 0.000 0.512 420 K N -1.147 119.330 120.400 0.128 0.000 6.826 420 K HA -0.097 4.223 4.320 0.000 0.000 0.788 420 K C 0.462 177.259 176.600 0.327 0.000 2.287 420 K CA 1.765 58.157 56.287 0.175 0.000 1.704 420 K CB -0.844 31.737 32.500 0.135 0.000 2.053 420 K HN 1.468 nan 8.250 nan 0.000 0.296 421 R N 5.201 125.851 120.500 0.249 0.000 2.410 421 R HA 0.477 4.817 4.340 0.000 0.000 0.288 421 R C 0.787 177.170 176.300 0.138 0.000 1.051 421 R CA -0.566 55.663 56.100 0.214 0.000 1.021 421 R CB 0.857 31.222 30.300 0.107 0.000 1.032 421 R HN 0.605 nan 8.270 nan 0.000 0.481 422 I N 1.405 121.842 120.570 -0.222 0.000 3.185 422 I HA -0.166 4.004 4.170 0.000 0.000 0.300 422 I C -0.153 175.902 176.117 -0.104 0.000 1.245 422 I CA 1.377 62.419 61.300 -0.431 0.000 1.413 422 I CB 0.703 38.152 38.000 -0.919 0.000 1.324 422 I HN 0.858 nan 8.210 nan 0.000 0.588 423 S N 4.845 120.527 115.700 -0.030 0.000 2.541 423 S HA 0.588 5.058 4.470 0.000 0.000 0.271 423 S C -1.250 173.367 174.600 0.028 0.000 1.133 423 S CA -0.704 57.507 58.200 0.018 0.000 0.876 423 S CB 1.633 64.865 63.200 0.053 0.000 1.105 423 S HN 0.397 nan 8.310 nan 0.000 0.470 424 V N 4.928 124.865 119.914 0.039 0.000 2.357 424 V HA 0.463 4.583 4.120 0.000 0.000 0.284 424 V C -2.250 173.885 176.094 0.068 0.000 1.018 424 V CA -1.686 60.657 62.300 0.072 0.000 0.841 424 V CB 1.098 32.995 31.823 0.123 0.000 0.991 424 V HN 0.778 nan 8.190 nan 0.000 0.437 425 P HA 0.085 nan 4.420 nan 0.000 0.268 425 P C 0.960 178.302 177.300 0.071 0.000 1.205 425 P CA -0.052 63.079 63.100 0.052 0.000 0.771 425 P CB 0.767 32.499 31.700 0.054 0.000 0.858 426 E N 2.233 122.449 120.200 0.028 0.000 2.219 426 E HA -0.266 4.084 4.350 0.000 0.000 0.198 426 E C 0.937 177.602 176.600 0.108 0.000 0.998 426 E CA 1.484 57.903 56.400 0.032 0.000 0.818 426 E CB 0.049 29.737 29.700 -0.020 0.000 0.741 426 E HN 0.555 nan 8.360 nan 0.000 0.477 427 D N -0.373 120.076 120.400 0.080 0.000 2.194 427 D HA -0.111 4.529 4.640 0.000 0.000 0.204 427 D C 2.030 178.384 176.300 0.089 0.000 0.964 427 D CA 0.709 54.755 54.000 0.077 0.000 0.846 427 D CB -0.164 40.665 40.800 0.048 0.000 0.962 427 D HN 0.167 nan 8.370 nan 0.000 0.490 428 V N 0.579 120.551 119.914 0.098 0.000 2.379 428 V HA -0.230 3.890 4.120 0.000 0.000 0.245 428 V C 2.382 178.545 176.094 0.115 0.000 1.044 428 V CA 1.240 63.590 62.300 0.083 0.000 1.036 428 V CB -1.023 30.848 31.823 0.080 0.000 0.664 428 V HN 0.133 nan 8.190 nan 0.000 0.453 429 Y N 1.693 122.017 120.300 0.039 0.000 2.128 429 Y HA -0.277 4.273 4.550 0.000 0.000 0.284 429 Y C 2.328 178.266 175.900 0.064 0.000 1.154 429 Y CA 2.097 60.234 58.100 0.062 0.000 1.149 429 Y CB -0.337 38.159 38.460 0.061 0.000 0.976 429 Y HN 0.316 nan 8.280 nan 0.000 0.505 430 D N 0.044 120.600 120.400 0.260 0.000 2.309 430 D HA -0.137 4.503 4.640 0.000 0.000 0.212 430 D C 1.658 177.983 176.300 0.041 0.000 0.968 430 D CA 1.078 55.174 54.000 0.160 0.000 0.882 430 D CB -0.122 40.770 40.800 0.152 0.000 0.918 430 D HN 0.496 nan 8.370 nan 0.000 0.503 431 K N -0.012 120.388 120.400 0.001 0.000 2.366 431 K HA 0.036 4.356 4.320 0.000 0.000 0.198 431 K C 1.861 178.376 176.600 -0.141 0.000 1.044 431 K CA 0.530 56.783 56.287 -0.057 0.000 0.973 431 K CB 0.300 32.764 32.500 -0.060 0.000 0.767 431 K HN 0.036 nan 8.250 nan 0.000 0.475 432 G N 0.295 108.988 108.800 -0.178 0.000 2.939 432 G HA2 -0.015 3.945 3.960 0.000 0.000 0.210 432 G HA3 -0.015 3.945 3.960 0.000 0.000 0.210 432 G C 0.367 175.221 174.900 -0.076 0.000 1.160 432 G CA -0.221 44.703 45.100 -0.292 0.000 0.770 432 G HN 0.170 nan 8.290 nan 0.000 0.543 433 C N 0.314 119.606 119.300 -0.012 0.000 2.335 433 C HA 0.673 5.133 4.460 0.000 0.000 0.363 433 C C 0.344 175.410 174.990 0.127 0.000 1.198 433 C CA -0.971 58.117 59.018 0.115 0.000 2.279 433 C CB 1.220 29.030 27.740 0.116 0.000 2.334 433 C HN 0.278 nan 8.230 nan 0.000 0.559 434 V N 0.882 120.923 119.914 0.213 0.000 2.407 434 V HA 0.437 4.557 4.120 0.000 0.000 0.291 434 V C 0.522 176.789 176.094 0.288 0.000 1.018 434 V CA -0.533 61.894 62.300 0.211 0.000 0.842 434 V CB 0.819 32.800 31.823 0.262 0.000 0.996 434 V HN 1.045 nan 8.190 nan 0.000 0.426 435 K N 2.502 123.015 120.400 0.187 0.000 2.228 435 K HA 0.092 4.412 4.320 0.000 0.000 0.202 435 K C 0.038 176.779 176.600 0.236 0.000 1.051 435 K CA 1.107 57.519 56.287 0.207 0.000 0.960 435 K CB 0.117 32.691 32.500 0.123 0.000 0.743 435 K HN 0.847 nan 8.250 nan 0.000 0.458 436 D N -1.157 119.282 120.400 0.065 0.000 2.652 436 D HA 0.099 4.739 4.640 0.000 0.000 0.285 436 D C 0.742 176.747 176.300 -0.490 0.000 1.173 436 D CA -0.861 53.088 54.000 -0.085 0.000 0.981 436 D CB 1.030 41.821 40.800 -0.014 0.000 1.440 436 D HN -0.240 nan 8.370 nan 0.000 0.485 437 V N 0.324 119.978 119.914 -0.433 0.000 2.626 437 V HA -0.163 3.957 4.120 0.000 0.000 0.252 437 V C 1.252 177.260 176.094 -0.144 0.000 1.067 437 V CA 1.903 63.995 62.300 -0.347 0.000 1.081 437 V CB -0.745 31.014 31.823 -0.106 0.000 0.686 437 V HN 0.512 nan 8.190 nan 0.000 0.468 438 D N 1.065 121.396 120.400 -0.114 0.000 2.095 438 D HA -0.207 4.433 4.640 0.000 0.000 0.192 438 D C 2.168 178.411 176.300 -0.096 0.000 0.990 438 D CA 1.969 55.923 54.000 -0.076 0.000 0.836 438 D CB -0.365 40.405 40.800 -0.049 0.000 0.979 438 D HN 0.746 nan 8.370 nan 0.000 0.447 439 E N 0.237 120.382 120.200 -0.092 0.000 2.427 439 E HA 0.042 4.392 4.350 0.000 0.000 0.196 439 E C 2.019 178.551 176.600 -0.113 0.000 1.028 439 E CA 0.751 57.099 56.400 -0.086 0.000 0.864 439 E CB -0.306 29.365 29.700 -0.048 0.000 0.813 439 E HN 0.215 nan 8.360 nan 0.000 0.514 440 G N 2.332 111.046 108.800 -0.144 0.000 2.434 440 G HA2 -0.212 3.748 3.960 0.000 0.000 0.214 440 G HA3 -0.212 3.748 3.960 0.000 0.000 0.214 440 G C 1.612 176.226 174.900 -0.476 0.000 1.202 440 G CA 0.597 45.632 45.100 -0.110 0.000 0.788 440 G HN 0.149 nan 8.290 nan 0.000 0.539 441 L N 0.226 121.147 121.223 -0.504 0.000 2.079 441 L HA -0.082 4.258 4.340 0.000 0.000 0.210 441 L C 2.945 179.616 176.870 -0.331 0.000 1.081 441 L CA 0.950 55.470 54.840 -0.533 0.000 0.752 441 L CB -0.311 41.600 42.059 -0.247 0.000 0.896 441 L HN 0.158 nan 8.230 nan 0.000 0.433 442 E N 0.317 120.382 120.200 -0.224 0.000 2.033 442 E HA -0.274 4.076 4.350 0.000 0.000 0.199 442 E C 2.290 178.780 176.600 -0.183 0.000 1.011 442 E CA 1.759 58.062 56.400 -0.162 0.000 0.815 442 E CB -0.246 29.384 29.700 -0.118 0.000 0.755 442 E HN 0.490 nan 8.360 nan 0.000 0.451 443 A N 1.261 123.968 122.820 -0.189 0.000 1.902 443 A HA -0.096 4.224 4.320 0.000 0.000 0.217 443 A C 2.425 179.861 177.584 -0.246 0.000 1.181 443 A CA 2.227 54.158 52.037 -0.176 0.000 0.623 443 A CB -0.661 18.270 19.000 -0.116 0.000 0.818 443 A HN 0.297 nan 8.150 nan 0.000 0.443 444 A N -0.260 122.336 122.820 -0.374 0.000 1.873 444 A HA -0.238 4.082 4.320 0.000 0.000 0.218 444 A C 1.911 179.156 177.584 -0.565 0.000 1.193 444 A CA 2.240 53.932 52.037 -0.575 0.000 0.629 444 A CB -0.615 17.896 19.000 -0.814 0.000 0.826 444 A HN 0.447 nan 8.150 nan 0.000 0.447 445 E N -0.902 119.077 120.200 -0.368 0.000 2.265 445 E HA -0.127 4.223 4.350 0.000 0.000 0.196 445 E C 2.050 178.535 176.600 -0.192 0.000 0.996 445 E CA 1.034 57.295 56.400 -0.233 0.000 0.832 445 E CB -0.175 29.449 29.700 -0.126 0.000 0.756 445 E HN 0.631 nan 8.360 nan 0.000 0.491 446 R N -0.546 119.838 120.500 -0.194 0.000 2.127 446 R HA 0.122 4.462 4.340 0.000 0.000 0.217 446 R C 1.825 178.042 176.300 -0.139 0.000 1.074 446 R CA 0.689 56.704 56.100 -0.142 0.000 0.991 446 R CB 0.056 30.277 30.300 -0.130 0.000 0.895 446 R HN 0.180 nan 8.270 nan 0.000 0.450 447 I N 0.106 120.567 120.570 -0.182 0.000 2.852 447 I HA 0.170 4.340 4.170 0.000 0.000 0.264 447 I C 0.741 176.752 176.117 -0.177 0.000 1.179 447 I CA 0.575 61.788 61.300 -0.145 0.000 1.480 447 I CB 0.173 38.098 38.000 -0.124 0.000 1.111 447 I HN 0.394 nan 8.210 nan 0.000 0.441 448 G N 1.007 109.627 108.800 -0.300 0.000 2.716 448 G HA2 -0.218 3.742 3.960 0.000 0.000 0.686 448 G HA3 -0.218 3.742 3.960 0.000 0.000 0.686 448 G C -0.660 174.038 174.900 -0.336 0.000 1.337 448 G CA -0.874 44.064 45.100 -0.270 0.000 0.829 448 G HN 0.005 nan 8.290 nan 0.000 0.599 449 F N 2.200 122.152 119.950 0.004 0.000 2.403 449 F HA 0.667 5.194 4.527 0.000 0.000 0.326 449 F C -0.654 175.158 175.800 0.020 0.000 1.081 449 F CA -1.496 56.517 58.000 0.022 0.000 1.041 449 F CB 1.371 40.385 39.000 0.024 0.000 1.234 449 F HN 0.475 nan 8.300 nan 0.000 0.503 450 P HA 0.487 nan 4.420 nan 0.000 0.281 450 P C -1.469 175.959 177.300 0.212 0.000 1.249 450 P CA -0.312 62.970 63.100 0.302 0.000 0.810 450 P CB 1.621 33.424 31.700 0.173 0.000 1.008 451 L N -1.030 120.357 121.223 0.273 0.000 2.397 451 L HA 0.702 5.042 4.340 0.000 0.000 0.251 451 L C -0.617 176.361 176.870 0.180 0.000 1.064 451 L CA -1.052 53.885 54.840 0.163 0.000 0.859 451 L CB 0.945 43.044 42.059 0.067 0.000 1.468 451 L HN 0.076 nan 8.230 nan 0.000 0.411 452 M N 1.864 121.542 119.600 0.130 0.000 2.364 452 M HA 0.547 5.027 4.480 0.000 0.000 0.334 452 M C -0.871 175.461 176.300 0.054 0.000 1.107 452 M CA -0.318 55.030 55.300 0.080 0.000 0.988 452 M CB 1.574 34.196 32.600 0.037 0.000 1.673 452 M HN 0.565 nan 8.290 nan 0.000 0.441 453 I N 3.415 123.989 120.570 0.007 0.000 2.312 453 I HA 0.352 4.522 4.170 0.000 0.000 0.290 453 I C -0.113 175.865 176.117 -0.232 0.000 1.008 453 I CA -0.389 60.876 61.300 -0.057 0.000 1.226 453 I CB 0.816 38.783 38.000 -0.055 0.000 1.371 453 I HN 0.517 nan 8.210 nan 0.000 0.468 454 K N 5.098 125.219 120.400 -0.465 0.000 2.422 454 K HA 0.750 5.070 4.320 0.000 0.000 0.251 454 K C -0.890 175.360 176.600 -0.584 0.000 0.933 454 K CA -0.769 55.179 56.287 -0.564 0.000 0.798 454 K CB 2.646 34.726 32.500 -0.700 0.000 1.238 454 K HN 0.611 nan 8.250 nan 0.000 0.428 455 A N 1.038 123.681 122.820 -0.294 0.000 2.327 455 A HA 0.226 4.546 4.320 0.000 0.000 0.283 455 A C 1.180 178.771 177.584 0.013 0.000 1.127 455 A CA -0.222 51.735 52.037 -0.132 0.000 0.810 455 A CB 0.538 19.481 19.000 -0.096 0.000 1.066 455 A HN 0.870 nan 8.150 nan 0.000 0.492 456 S N 1.287 117.098 115.700 0.186 0.000 2.402 456 S HA -0.136 4.334 4.470 0.000 0.000 0.229 456 S C 0.866 175.574 174.600 0.179 0.000 1.021 456 S CA 1.528 59.916 58.200 0.312 0.000 0.974 456 S CB -0.393 63.019 63.200 0.354 0.000 0.800 456 S HN 0.775 nan 8.310 nan 0.000 0.484 457 E N 1.714 121.985 120.200 0.120 0.000 2.476 457 E HA 0.233 4.583 4.350 0.000 0.000 0.191 457 E C 1.169 177.793 176.600 0.040 0.000 1.064 457 E CA 0.006 56.454 56.400 0.080 0.000 0.866 457 E CB -0.062 29.678 29.700 0.068 0.000 0.952 457 E HN 0.652 nan 8.360 nan 0.000 0.492 458 G N 0.976 109.791 108.800 0.025 0.000 2.525 458 G HA2 0.457 4.417 3.960 0.000 0.000 0.276 458 G HA3 0.457 4.417 3.960 0.000 0.000 0.276 458 G C 0.313 175.207 174.900 -0.009 0.000 1.388 458 G CA 0.187 45.279 45.100 -0.013 0.000 1.050 458 G HN 0.293 nan 8.290 nan 0.000 0.520 459 G N -3.841 104.939 108.800 -0.033 0.000 2.375 459 G HA2 0.499 4.459 3.960 0.000 0.000 0.663 459 G HA3 0.499 4.459 3.960 0.000 0.000 0.663 459 G C 0.539 175.416 174.900 -0.038 0.000 1.391 459 G CA 0.426 45.506 45.100 -0.034 0.000 0.949 459 G HN 2.443 nan 8.290 nan 0.000 0.646 460 G N -0.957 107.817 108.800 -0.043 0.000 2.225 460 G HA2 0.421 4.381 3.960 0.000 0.000 0.264 460 G HA3 0.421 4.381 3.960 0.000 0.000 0.264 460 G C 2.126 176.996 174.900 -0.050 0.000 1.060 460 G CA 1.129 46.207 45.100 -0.036 0.000 0.833 460 G HN 3.057 nan 8.290 nan 0.000 0.498 461 G N -1.522 107.228 108.800 -0.082 0.000 2.168 461 G HA2 -0.286 3.674 3.960 0.000 0.000 0.257 461 G HA3 -0.286 3.674 3.960 0.000 0.000 0.257 461 G C 0.323 175.175 174.900 -0.079 0.000 0.997 461 G CA 1.441 46.484 45.100 -0.095 0.000 0.708 461 G HN 1.047 nan 8.290 nan 0.000 0.520 462 K N -1.136 119.220 120.400 -0.072 0.000 2.340 462 K HA 0.587 4.907 4.320 0.000 0.000 0.244 462 K C 1.098 177.650 176.600 -0.081 0.000 0.973 462 K CA -0.558 55.688 56.287 -0.067 0.000 0.828 462 K CB 1.733 34.204 32.500 -0.048 0.000 1.226 462 K HN 1.119 nan 8.250 nan 0.000 0.437 463 G N 1.243 109.989 108.800 -0.091 0.000 2.179 463 G HA2 -0.251 3.709 3.960 0.000 0.000 0.257 463 G HA3 -0.251 3.709 3.960 0.000 0.000 0.257 463 G C -0.084 174.729 174.900 -0.145 0.000 1.010 463 G CA 0.276 45.307 45.100 -0.116 0.000 0.736 463 G HN 0.440 nan 8.290 nan 0.000 0.513 464 I N -1.308 119.182 120.570 -0.133 0.000 2.689 464 I HA 0.795 4.965 4.170 0.000 0.000 0.299 464 I C 0.039 176.087 176.117 -0.115 0.000 1.059 464 I CA -1.286 59.930 61.300 -0.140 0.000 1.055 464 I CB 2.458 40.377 38.000 -0.135 0.000 1.243 464 I HN 0.026 nan 8.210 nan 0.000 0.425 465 R N 3.392 123.832 120.500 -0.101 0.000 2.536 465 R HA 0.281 4.621 4.340 0.000 0.000 0.269 465 R C -1.346 174.942 176.300 -0.020 0.000 1.113 465 R CA -0.811 55.249 56.100 -0.067 0.000 0.948 465 R CB 1.761 32.005 30.300 -0.094 0.000 1.237 465 R HN 0.552 nan 8.270 nan 0.000 0.441 466 K N 2.287 122.693 120.400 0.009 0.000 2.211 466 K HA 0.782 5.102 4.320 0.000 0.000 0.275 466 K C -1.187 175.459 176.600 0.076 0.000 1.024 466 K CA -0.441 55.879 56.287 0.055 0.000 0.887 466 K CB 1.300 33.831 32.500 0.050 0.000 1.084 466 K HN 0.621 nan 8.250 nan 0.000 0.463 467 A N 4.190 127.106 122.820 0.160 0.000 2.318 467 A HA 0.302 4.622 4.320 0.000 0.000 0.317 467 A C -0.241 177.464 177.584 0.202 0.000 1.159 467 A CA -0.632 51.518 52.037 0.188 0.000 0.799 467 A CB 0.971 20.205 19.000 0.389 0.000 1.194 467 A HN 0.988 nan 8.150 nan 0.000 0.479 468 E N 0.718 120.915 120.200 -0.006 0.000 2.489 468 E HA 0.140 4.490 4.350 0.000 0.000 0.204 468 E C -0.021 176.328 176.600 -0.418 0.000 1.006 468 E CA 0.570 56.938 56.400 -0.053 0.000 0.936 468 E CB 0.535 30.222 29.700 -0.021 0.000 1.002 468 E HN 0.753 nan 8.360 nan 0.000 0.488 469 S N -1.481 113.758 115.700 -0.768 0.000 2.565 469 S HA 0.567 5.037 4.470 0.000 0.000 0.269 469 S C 0.536 174.575 174.600 -0.935 0.000 1.153 469 S CA -0.435 57.177 58.200 -0.980 0.000 0.835 469 S CB 1.470 64.439 63.200 -0.384 0.000 1.122 469 S HN -0.030 nan 8.310 nan 0.000 0.462 470 A N 0.872 123.296 122.820 -0.660 0.000 1.972 470 A HA 0.009 4.329 4.320 0.000 0.000 0.219 470 A C 1.716 179.290 177.584 -0.016 0.000 1.169 470 A CA 1.844 53.800 52.037 -0.134 0.000 0.635 470 A CB -1.085 17.929 19.000 0.024 0.000 0.810 470 A HN 0.891 nan 8.150 nan 0.000 0.446 471 E N 0.632 120.786 120.200 -0.076 0.000 2.118 471 E HA -0.150 4.200 4.350 0.000 0.000 0.195 471 E C 1.076 177.677 176.600 0.001 0.000 0.992 471 E CA 1.523 57.908 56.400 -0.025 0.000 0.804 471 E CB -0.124 29.550 29.700 -0.044 0.000 0.741 471 E HN 0.589 nan 8.360 nan 0.000 0.458 472 D N -0.828 119.559 120.400 -0.023 0.000 2.350 472 D HA -0.013 4.627 4.640 0.000 0.000 0.213 472 D C 1.339 177.668 176.300 0.049 0.000 1.031 472 D CA -0.029 53.970 54.000 -0.002 0.000 0.861 472 D CB -0.049 40.731 40.800 -0.033 0.000 0.926 472 D HN 0.097 nan 8.370 nan 0.000 0.520 473 F N 2.517 122.455 119.950 -0.019 0.000 2.065 473 F HA -0.140 4.387 4.527 0.000 0.000 0.298 473 F C -0.947 174.923 175.800 0.117 0.000 1.112 473 F CA 1.497 59.547 58.000 0.084 0.000 1.212 473 F CB -1.155 37.933 39.000 0.147 0.000 0.975 473 F HN -0.029 nan 8.300 nan 0.000 0.476 474 P HA -0.233 nan 4.420 nan 0.000 0.213 474 P C 2.146 179.450 177.300 0.007 0.000 1.170 474 P CA 2.336 65.469 63.100 0.055 0.000 0.902 474 P CB -0.125 31.634 31.700 0.099 0.000 0.789 475 I N -1.418 119.152 120.570 0.001 0.000 2.118 475 I HA -0.267 3.903 4.170 0.000 0.000 0.241 475 I C 2.351 178.440 176.117 -0.047 0.000 1.070 475 I CA 1.592 62.885 61.300 -0.012 0.000 1.327 475 I CB -0.798 37.194 38.000 -0.013 0.000 1.034 475 I HN -0.081 nan 8.210 nan 0.000 0.405 476 L N -0.365 120.807 121.223 -0.084 0.000 2.042 476 L HA -0.250 4.090 4.340 0.000 0.000 0.210 476 L C 2.591 179.352 176.870 -0.181 0.000 1.076 476 L CA 1.410 56.175 54.840 -0.123 0.000 0.749 476 L CB -0.648 41.338 42.059 -0.122 0.000 0.893 476 L HN 0.221 nan 8.230 nan 0.000 0.432 477 F N 0.642 120.338 119.950 -0.422 0.000 2.293 477 F HA -0.119 4.408 4.527 0.000 0.000 0.300 477 F C 2.570 178.242 175.800 -0.212 0.000 1.086 477 F CA 1.240 58.984 58.000 -0.427 0.000 1.375 477 F CB -0.108 38.482 39.000 -0.683 0.000 1.045 477 F HN -0.117 nan 8.300 nan 0.000 0.516 478 R N -0.380 120.116 120.500 -0.007 0.000 2.200 478 R HA -0.032 4.308 4.340 0.000 0.000 0.208 478 R C 2.113 178.347 176.300 -0.111 0.000 1.033 478 R CA 0.711 56.797 56.100 -0.023 0.000 1.000 478 R CB -0.370 29.963 30.300 0.055 0.000 0.906 478 R HN 0.414 nan 8.270 nan 0.000 0.462 479 Q N 0.427 120.155 119.800 -0.121 0.000 2.079 479 Q HA -0.097 4.243 4.340 0.000 0.000 0.200 479 Q C 2.119 178.029 176.000 -0.151 0.000 0.974 479 Q CA 1.259 56.995 55.803 -0.112 0.000 0.840 479 Q CB 0.174 28.855 28.738 -0.095 0.000 0.898 479 Q HN 0.097 nan 8.270 nan 0.000 0.430 480 V N 1.074 120.851 119.914 -0.229 0.000 2.295 480 V HA -0.319 3.801 4.120 0.000 0.000 0.246 480 V C 2.147 178.096 176.094 -0.242 0.000 1.049 480 V CA 1.998 64.145 62.300 -0.255 0.000 1.024 480 V CB -0.654 30.953 31.823 -0.360 0.000 0.648 480 V HN 0.437 nan 8.190 nan 0.000 0.447 481 Q N 0.118 119.736 119.800 -0.304 0.000 2.112 481 Q HA -0.207 4.133 4.340 0.000 0.000 0.206 481 Q C 2.427 178.357 176.000 -0.117 0.000 0.987 481 Q CA 2.068 57.744 55.803 -0.212 0.000 0.858 481 Q CB -0.394 28.231 28.738 -0.188 0.000 0.905 481 Q HN 0.645 nan 8.270 nan 0.000 0.420 482 S N 0.831 116.470 115.700 -0.101 0.000 2.383 482 S HA -0.170 4.300 4.470 0.000 0.000 0.227 482 S C 1.768 176.332 174.600 -0.060 0.000 1.026 482 S CA 1.194 59.355 58.200 -0.064 0.000 0.981 482 S CB -0.107 63.061 63.200 -0.053 0.000 0.818 482 S HN 0.354 nan 8.310 nan 0.000 0.472 483 E N 0.321 120.475 120.200 -0.077 0.000 2.028 483 E HA 0.008 4.358 4.350 0.000 0.000 0.190 483 E C -0.018 176.548 176.600 -0.056 0.000 0.984 483 E CA 0.761 57.122 56.400 -0.065 0.000 0.800 483 E CB 0.232 29.885 29.700 -0.078 0.000 0.758 483 E HN 0.247 nan 8.360 nan 0.000 0.448 484 I N 2.892 123.421 120.570 -0.069 0.000 2.859 484 I HA 0.251 4.421 4.170 0.000 0.000 0.296 484 I C -2.425 173.665 176.117 -0.045 0.000 1.300 484 I CA -2.239 59.032 61.300 -0.049 0.000 1.020 484 I CB 0.094 38.065 38.000 -0.048 0.000 1.823 484 I HN -0.038 nan 8.210 nan 0.000 0.599 485 P HA 0.037 nan 4.420 nan 0.000 0.266 485 P C 1.074 178.370 177.300 -0.007 0.000 1.193 485 P CA 1.111 64.196 63.100 -0.026 0.000 0.770 485 P CB 0.998 32.688 31.700 -0.017 0.000 0.836 486 G N 1.269 110.070 108.800 0.001 0.000 2.328 486 G HA2 -0.302 3.658 3.960 0.000 0.000 0.256 486 G HA3 -0.302 3.658 3.960 0.000 0.000 0.256 486 G C 0.546 175.468 174.900 0.037 0.000 1.014 486 G CA 0.505 45.618 45.100 0.022 0.000 0.620 486 G HN 0.858 nan 8.290 nan 0.000 0.530 487 S N 2.150 117.865 115.700 0.025 0.000 2.549 487 S HA 0.484 4.954 4.470 0.000 0.000 0.286 487 S C -1.858 172.786 174.600 0.073 0.000 1.314 487 S CA -0.413 57.816 58.200 0.050 0.000 1.062 487 S CB 0.744 63.959 63.200 0.025 0.000 0.865 487 S HN 0.224 nan 8.310 nan 0.000 0.498 488 P HA 0.282 nan 4.420 nan 0.000 0.268 488 P C -0.862 176.539 177.300 0.167 0.000 1.204 488 P CA 0.090 63.306 63.100 0.195 0.000 0.768 488 P CB 0.341 32.230 31.700 0.316 0.000 0.842 489 I N 4.159 124.818 120.570 0.149 0.000 2.530 489 I HA 0.540 4.710 4.170 0.000 0.000 0.297 489 I C -0.109 176.154 176.117 0.244 0.000 1.011 489 I CA -0.835 60.514 61.300 0.081 0.000 1.107 489 I CB 1.121 39.084 38.000 -0.062 0.000 1.285 489 I HN 0.321 nan 8.210 nan 0.000 0.436 490 F N 4.724 124.763 119.950 0.148 0.000 2.643 490 F HA 0.819 5.346 4.527 0.000 0.000 0.314 490 F C -1.868 174.070 175.800 0.230 0.000 1.096 490 F CA -1.130 56.997 58.000 0.212 0.000 0.953 490 F CB 1.087 40.250 39.000 0.272 0.000 1.345 490 F HN 0.091 nan 8.300 nan 0.000 0.468 491 L N 2.733 124.233 121.223 0.463 0.000 2.333 491 L HA 0.744 5.084 4.340 0.000 0.000 0.269 491 L C -0.733 176.415 176.870 0.463 0.000 1.010 491 L CA -0.947 54.085 54.840 0.319 0.000 0.818 491 L CB 2.061 44.276 42.059 0.261 0.000 1.306 491 L HN 0.904 nan 8.230 nan 0.000 0.430 492 M N 2.002 121.785 119.600 0.305 0.000 2.365 492 M HA 0.358 4.838 4.480 0.000 0.000 0.287 492 M C -1.163 175.229 176.300 0.154 0.000 1.154 492 M CA -0.778 54.700 55.300 0.297 0.000 0.941 492 M CB 2.417 35.212 32.600 0.325 0.000 1.704 492 M HN 0.447 nan 8.290 nan 0.000 0.479 493 K N 2.452 122.919 120.400 0.111 0.000 2.527 493 K HA 0.180 4.500 4.320 0.000 0.000 0.278 493 K C -1.051 175.575 176.600 0.044 0.000 0.981 493 K CA 0.019 56.335 56.287 0.048 0.000 1.009 493 K CB 0.399 32.906 32.500 0.011 0.000 0.895 493 K HN 0.612 nan 8.250 nan 0.000 0.493 494 L N 4.093 125.344 121.223 0.047 0.000 2.313 494 L HA 0.344 4.684 4.340 0.000 0.000 0.282 494 L C -0.518 176.367 176.870 0.026 0.000 1.092 494 L CA 0.221 55.090 54.840 0.049 0.000 0.831 494 L CB 0.310 42.407 42.059 0.063 0.000 1.159 494 L HN 0.738 nan 8.230 nan 0.000 0.442 495 A N 4.810 127.645 122.820 0.026 0.000 2.548 495 A HA 0.173 4.493 4.320 0.000 0.000 0.247 495 A C 0.174 177.785 177.584 0.045 0.000 1.067 495 A CA -0.067 51.980 52.037 0.016 0.000 0.757 495 A CB -0.300 18.718 19.000 0.031 0.000 0.996 495 A HN 0.789 nan 8.150 nan 0.000 0.504 496 Q N 1.790 121.615 119.800 0.040 0.000 2.553 496 Q HA 0.210 4.550 4.340 0.000 0.000 0.221 496 Q C -0.422 175.666 176.000 0.147 0.000 1.219 496 Q CA 0.061 55.903 55.803 0.065 0.000 0.955 496 Q CB -0.293 28.475 28.738 0.051 0.000 1.399 496 Q HN 0.888 nan 8.270 nan 0.000 0.551 497 H N 0.727 119.825 119.070 0.047 0.000 2.281 497 H HA -0.240 4.316 4.556 0.000 0.000 0.297 497 H C -0.663 174.702 175.328 0.060 0.000 0.833 497 H CA -0.000 56.081 56.048 0.056 0.000 0.978 497 H CB -0.184 29.604 29.762 0.043 0.000 1.566 497 H HN 0.699 nan 8.280 nan 0.000 0.293 498 A N 4.081 127.006 122.820 0.175 0.000 2.443 498 A HA 0.773 5.093 4.320 0.000 0.000 0.278 498 A C -0.289 177.371 177.584 0.126 0.000 1.252 498 A CA -0.962 51.135 52.037 0.100 0.000 0.816 498 A CB 1.348 20.379 19.000 0.051 0.000 1.369 498 A HN 0.424 nan 8.150 nan 0.000 0.446 499 R N 0.888 121.475 120.500 0.145 0.000 2.500 499 R HA 0.396 4.736 4.340 0.000 0.000 0.275 499 R C -0.945 175.440 176.300 0.142 0.000 1.051 499 R CA -0.213 56.010 56.100 0.206 0.000 1.088 499 R CB 0.314 30.781 30.300 0.279 0.000 1.063 499 R HN 0.744 nan 8.270 nan 0.000 0.511 500 H N 2.462 121.628 119.070 0.160 0.000 2.551 500 H HA 0.399 4.955 4.556 0.000 0.000 0.321 500 H C -0.316 175.111 175.328 0.164 0.000 1.028 500 H CA -0.453 55.686 56.048 0.152 0.000 1.215 500 H CB 1.396 31.218 29.762 0.099 0.000 1.414 500 H HN 0.173 nan 8.280 nan 0.000 0.480 501 L N 2.615 124.005 121.223 0.279 0.000 2.341 501 L HA 0.494 4.834 4.340 0.000 0.000 0.267 501 L C -0.041 177.011 176.870 0.304 0.000 1.009 501 L CA -0.806 54.209 54.840 0.291 0.000 0.819 501 L CB 2.411 44.675 42.059 0.341 0.000 1.323 501 L HN 0.509 nan 8.230 nan 0.000 0.425 502 E N 0.937 121.315 120.200 0.297 0.000 2.317 502 E HA 0.602 4.952 4.350 0.000 0.000 0.270 502 E C -1.556 175.232 176.600 0.313 0.000 0.885 502 E CA -0.832 55.707 56.400 0.231 0.000 0.760 502 E CB 3.343 33.124 29.700 0.136 0.000 1.227 502 E HN 0.160 nan 8.360 nan 0.000 0.434 503 V N 1.947 121.990 119.914 0.214 0.000 2.555 503 V HA 0.213 4.333 4.120 0.000 0.000 0.302 503 V C -0.485 175.673 176.094 0.107 0.000 1.038 503 V CA -0.817 61.599 62.300 0.194 0.000 0.887 503 V CB 1.651 33.525 31.823 0.084 0.000 0.991 503 V HN 0.576 nan 8.190 nan 0.000 0.434 504 Q N 4.389 124.262 119.800 0.121 0.000 2.360 504 Q HA 0.438 4.778 4.340 0.000 0.000 0.254 504 Q C -0.924 175.091 176.000 0.026 0.000 0.975 504 Q CA -0.080 55.768 55.803 0.075 0.000 0.912 504 Q CB 0.752 29.557 28.738 0.112 0.000 1.212 504 Q HN 0.549 nan 8.270 nan 0.000 0.452 505 I N 4.070 124.632 120.570 -0.013 0.000 2.566 505 I HA 0.456 4.626 4.170 0.000 0.000 0.303 505 I C -0.660 175.459 176.117 0.003 0.000 0.983 505 I CA -0.951 60.325 61.300 -0.039 0.000 1.235 505 I CB 1.383 39.310 38.000 -0.121 0.000 1.386 505 I HN 0.661 nan 8.210 nan 0.000 0.494 506 L N 4.572 125.795 121.223 -0.001 0.000 2.596 506 L HA 0.686 5.026 4.340 0.000 0.000 0.265 506 L C -0.975 175.895 176.870 -0.000 0.000 0.962 506 L CA -0.087 54.766 54.840 0.020 0.000 0.891 506 L CB 1.289 43.346 42.059 -0.003 0.000 1.248 506 L HN 0.691 nan 8.230 nan 0.000 0.410 507 A N 2.896 125.752 122.820 0.061 0.000 2.401 507 A HA 0.823 5.143 4.320 0.000 0.000 0.310 507 A C -0.952 176.642 177.584 0.017 0.000 1.075 507 A CA -0.368 51.694 52.037 0.042 0.000 0.746 507 A CB 1.171 20.240 19.000 0.116 0.000 1.277 507 A HN 0.764 nan 8.150 nan 0.000 0.425 508 D N -0.062 120.350 120.400 0.020 0.000 2.539 508 D HA 0.292 4.932 4.640 0.000 0.000 0.280 508 D C 0.088 176.328 176.300 -0.100 0.000 1.208 508 D CA -0.293 53.709 54.000 0.003 0.000 1.088 508 D CB 0.238 41.119 40.800 0.135 0.000 1.149 508 D HN 0.420 nan 8.370 nan 0.000 0.596 509 Q N -1.252 118.350 119.800 -0.329 0.000 2.237 509 Q HA 0.166 4.506 4.340 0.000 0.000 0.252 509 Q C -0.728 174.815 176.000 -0.763 0.000 0.877 509 Q CA -0.116 55.374 55.803 -0.521 0.000 1.011 509 Q CB 0.033 28.412 28.738 -0.598 0.000 1.118 509 Q HN 0.432 nan 8.270 nan 0.000 0.458 510 Y N -1.230 119.101 120.300 0.052 0.000 2.768 510 Y HA 0.316 4.866 4.550 0.000 0.000 0.249 510 Y C 1.279 177.226 175.900 0.079 0.000 1.146 510 Y CA -0.195 57.944 58.100 0.066 0.000 1.171 510 Y CB 1.113 39.617 38.460 0.075 0.000 1.249 510 Y HN 0.249 nan 8.280 nan 0.000 0.567 511 G N 0.458 109.349 108.800 0.151 0.000 2.179 511 G HA2 -0.319 3.641 3.960 0.000 0.000 0.260 511 G HA3 -0.319 3.641 3.960 0.000 0.000 0.260 511 G C 0.010 174.996 174.900 0.144 0.000 0.977 511 G CA 0.044 45.228 45.100 0.140 0.000 0.641 511 G HN 0.459 nan 8.290 nan 0.000 0.533 512 N N 1.046 119.847 118.700 0.168 0.000 2.488 512 N HA 0.600 5.340 4.740 0.000 0.000 0.274 512 N C -0.020 175.502 175.510 0.019 0.000 1.111 512 N CA 0.540 53.676 53.050 0.142 0.000 0.974 512 N CB 1.276 39.905 38.487 0.237 0.000 1.089 512 N HN 0.757 nan 8.380 nan 0.000 0.465 513 A N 1.500 124.288 122.820 -0.053 0.000 2.459 513 A HA 0.613 4.933 4.320 0.000 0.000 0.296 513 A C -0.680 176.784 177.584 -0.199 0.000 1.039 513 A CA -0.677 51.302 52.037 -0.097 0.000 0.698 513 A CB 0.830 19.823 19.000 -0.011 0.000 1.261 513 A HN 0.449 nan 8.150 nan 0.000 0.405 514 V N 0.157 119.925 119.914 -0.244 0.000 3.001 514 V HA 0.962 5.082 4.120 0.000 0.000 0.314 514 V C 0.026 176.047 176.094 -0.121 0.000 1.099 514 V CA -0.278 61.885 62.300 -0.228 0.000 0.989 514 V CB 1.656 33.269 31.823 -0.350 0.000 1.040 514 V HN 1.500 nan 8.190 nan 0.000 0.434 515 S N 2.328 117.965 115.700 -0.104 0.000 2.525 515 S HA 0.730 5.200 4.470 0.000 0.000 0.290 515 S C -0.357 174.135 174.600 -0.179 0.000 1.152 515 S CA -0.734 57.404 58.200 -0.104 0.000 1.072 515 S CB 1.148 64.287 63.200 -0.101 0.000 1.027 515 S HN 0.829 nan 8.310 nan 0.000 0.500 516 L N 3.405 124.564 121.223 -0.107 0.000 2.959 516 L HA 0.448 4.788 4.340 0.000 0.000 0.236 516 L C -0.807 176.106 176.870 0.072 0.000 1.296 516 L CA -0.529 54.246 54.840 -0.108 0.000 1.047 516 L CB -1.114 40.985 42.059 0.067 0.000 1.395 516 L HN 0.811 nan 8.230 nan 0.000 0.492 517 F N -0.847 119.190 119.950 0.145 0.000 2.183 517 F HA -0.187 4.340 4.527 0.000 0.000 0.318 517 F C 1.129 177.103 175.800 0.289 0.000 0.129 517 F CA 0.994 59.121 58.000 0.211 0.000 0.912 517 F CB -1.514 37.527 39.000 0.068 0.000 4.135 517 F HN 0.282 nan 8.300 nan 0.000 0.137 518 G N -0.836 108.206 108.800 0.404 0.000 2.921 518 G HA2 0.790 4.750 3.960 0.000 0.000 0.291 518 G HA3 0.790 4.750 3.960 0.000 0.000 0.291 518 G C -1.782 173.176 174.900 0.097 0.000 1.370 518 G CA -1.199 44.105 45.100 0.340 0.000 0.847 518 G HN 0.607 nan 8.290 nan 0.000 0.532 519 R N -0.264 120.303 120.500 0.112 0.000 2.744 519 R HA 0.430 4.770 4.340 0.000 0.000 0.279 519 R C -1.828 174.510 176.300 0.064 0.000 0.977 519 R CA -0.835 55.296 56.100 0.053 0.000 0.906 519 R CB 2.584 32.931 30.300 0.078 0.000 1.197 519 R HN 0.484 nan 8.270 nan 0.000 0.463 520 D N 1.903 122.327 120.400 0.039 0.000 2.381 520 D HA 0.219 4.859 4.640 0.000 0.000 0.235 520 D C -0.591 175.768 176.300 0.097 0.000 1.068 520 D CA -0.565 53.480 54.000 0.074 0.000 0.832 520 D CB 0.971 41.798 40.800 0.045 0.000 1.101 520 D HN 0.648 nan 8.370 nan 0.000 0.515 521 C N 2.528 121.900 119.300 0.120 0.000 3.163 521 C HA 0.470 4.930 4.460 0.000 0.000 0.228 521 C C 1.480 176.518 174.990 0.081 0.000 1.593 521 C CA -0.750 58.319 59.018 0.086 0.000 1.489 521 C CB -1.045 26.729 27.740 0.056 0.000 2.294 521 C HN 0.400 nan 8.230 nan 0.000 0.508 522 S N 1.074 116.842 115.700 0.113 0.000 2.388 522 S HA 0.084 4.554 4.470 0.000 0.000 0.223 522 S C 0.631 175.236 174.600 0.009 0.000 1.034 522 S CA 0.594 58.860 58.200 0.110 0.000 0.963 522 S CB -0.175 63.111 63.200 0.143 0.000 0.827 522 S HN 0.663 nan 8.310 nan 0.000 0.481 523 I N 3.054 123.627 120.570 0.005 0.000 2.671 523 I HA 0.061 4.231 4.170 0.000 0.000 0.285 523 I C 0.178 176.247 176.117 -0.081 0.000 1.148 523 I CA 0.826 62.084 61.300 -0.071 0.000 1.386 523 I CB -0.454 37.509 38.000 -0.061 0.000 1.406 523 I HN 0.221 nan 8.210 nan 0.000 0.540 524 Q N 6.460 126.198 119.800 -0.104 0.000 2.345 524 Q HA 0.566 4.906 4.340 0.000 0.000 0.275 524 Q C -0.636 175.303 176.000 -0.102 0.000 1.063 524 Q CA -0.975 54.769 55.803 -0.098 0.000 0.819 524 Q CB 2.672 31.338 28.738 -0.120 0.000 1.356 524 Q HN 0.424 nan 8.270 nan 0.000 0.418 525 R N 2.205 122.655 120.500 -0.084 0.000 2.287 525 R HA 0.310 4.650 4.340 0.000 0.000 0.316 525 R C -0.852 175.375 176.300 -0.122 0.000 1.050 525 R CA -0.682 55.362 56.100 -0.092 0.000 0.983 525 R CB 0.639 30.906 30.300 -0.054 0.000 1.140 525 R HN 0.481 nan 8.270 nan 0.000 0.528 526 R N 3.263 123.646 120.500 -0.196 0.000 2.994 526 R HA -0.180 4.160 4.340 0.000 0.000 0.267 526 R C -0.592 175.580 176.300 -0.213 0.000 0.914 526 R CA 0.443 56.373 56.100 -0.283 0.000 0.668 526 R CB -2.066 28.147 30.300 -0.145 0.000 1.524 526 R HN 0.955 nan 8.270 nan 0.000 0.478 527 H N -2.579 116.453 119.070 -0.063 0.000 2.741 527 H HA -0.202 4.354 4.556 0.000 0.000 0.305 527 H C 0.097 175.378 175.328 -0.078 0.000 1.169 527 H CA 1.625 57.629 56.048 -0.072 0.000 1.144 527 H CB -0.768 28.959 29.762 -0.059 0.000 1.397 527 H HN 0.641 nan 8.280 nan 0.000 0.409 528 Q N 0.452 120.239 119.800 -0.022 0.000 2.285 528 Q HA 0.356 4.696 4.340 0.000 0.000 0.269 528 Q C -0.656 175.312 176.000 -0.053 0.000 1.030 528 Q CA -0.689 55.091 55.803 -0.038 0.000 0.788 528 Q CB 1.368 30.080 28.738 -0.043 0.000 1.266 528 Q HN 0.189 nan 8.270 nan 0.000 0.438 529 K N 4.984 125.356 120.400 -0.047 0.000 2.228 529 K HA 0.110 4.430 4.320 0.000 0.000 0.284 529 K C 0.544 177.124 176.600 -0.034 0.000 1.088 529 K CA -0.140 56.124 56.287 -0.037 0.000 0.941 529 K CB 0.410 32.902 32.500 -0.013 0.000 1.158 529 K HN 0.567 nan 8.250 nan 0.000 0.438 530 I N 1.870 122.411 120.570 -0.049 0.000 2.188 530 I HA -0.087 4.083 4.170 0.000 0.000 0.237 530 I C 0.957 177.014 176.117 -0.100 0.000 1.073 530 I CA 0.988 62.250 61.300 -0.062 0.000 1.359 530 I CB -0.239 37.740 38.000 -0.034 0.000 1.083 530 I HN 0.146 nan 8.210 nan 0.000 0.412 531 V N 1.426 121.286 119.914 -0.090 0.000 2.448 531 V HA 0.361 4.481 4.120 0.000 0.000 0.295 531 V C -0.259 175.837 176.094 0.004 0.000 1.025 531 V CA -0.706 61.542 62.300 -0.086 0.000 0.859 531 V CB 2.162 33.894 31.823 -0.151 0.000 0.988 531 V HN 0.265 nan 8.190 nan 0.000 0.431 532 E N 2.856 123.069 120.200 0.020 0.000 2.256 532 E HA 0.635 4.985 4.350 0.000 0.000 0.267 532 E C -1.089 175.558 176.600 0.079 0.000 0.892 532 E CA -0.603 55.834 56.400 0.062 0.000 0.775 532 E CB 2.051 31.792 29.700 0.068 0.000 1.207 532 E HN 0.758 nan 8.360 nan 0.000 0.420 533 E N 0.679 120.921 120.200 0.070 0.000 2.288 533 E HA 0.730 5.080 4.350 0.000 0.000 0.268 533 E C -1.611 174.933 176.600 -0.094 0.000 0.885 533 E CA -1.192 55.218 56.400 0.017 0.000 0.767 533 E CB 2.137 31.895 29.700 0.096 0.000 1.220 533 E HN 0.424 nan 8.360 nan 0.000 0.427 534 A N 2.959 125.608 122.820 -0.284 0.000 2.465 534 A HA 0.561 4.881 4.320 0.000 0.000 0.292 534 A C -2.752 174.481 177.584 -0.585 0.000 1.041 534 A CA -1.290 50.570 52.037 -0.295 0.000 0.718 534 A CB 1.501 20.430 19.000 -0.118 0.000 1.266 534 A HN 0.323 nan 8.150 nan 0.000 0.403 535 P HA 0.470 nan 4.420 nan 0.000 0.279 535 P C -0.121 177.005 177.300 -0.290 0.000 1.282 535 P CA -0.267 62.645 63.100 -0.312 0.000 0.788 535 P CB 1.021 32.533 31.700 -0.314 0.000 1.139 536 A N 0.346 122.933 122.820 -0.387 0.000 2.310 536 A HA 0.383 4.703 4.320 0.000 0.000 0.300 536 A C 1.228 178.596 177.584 -0.360 0.000 1.269 536 A CA 0.018 51.839 52.037 -0.361 0.000 0.909 536 A CB -0.820 17.890 19.000 -0.483 0.000 1.144 536 A HN 0.608 nan 8.150 nan 0.000 0.540 537 T N 0.472 114.919 114.554 -0.179 0.000 3.014 537 T HA -0.012 4.338 4.350 0.000 0.000 0.250 537 T C 1.557 176.172 174.700 -0.142 0.000 1.060 537 T CA 0.720 62.729 62.100 -0.150 0.000 1.040 537 T CB -0.378 68.439 68.868 -0.086 0.000 0.971 537 T HN 0.362 nan 8.240 nan 0.000 0.497 538 I N 2.940 123.435 120.570 -0.126 0.000 2.248 538 I HA 0.122 4.292 4.170 0.000 0.000 0.248 538 I C 1.249 177.281 176.117 -0.141 0.000 1.107 538 I CA 0.380 61.630 61.300 -0.084 0.000 1.373 538 I CB -0.735 37.257 38.000 -0.014 0.000 1.055 538 I HN 0.448 nan 8.210 nan 0.000 0.418 539 A N 0.252 122.879 122.820 -0.322 0.000 2.303 539 A HA 0.622 4.942 4.320 0.000 0.000 0.317 539 A C -2.352 175.089 177.584 -0.238 0.000 1.149 539 A CA -1.360 50.349 52.037 -0.547 0.000 0.822 539 A CB -0.291 18.094 19.000 -1.025 0.000 1.131 539 A HN 0.104 nan 8.150 nan 0.000 0.493 540 P HA 0.040 nan 4.420 nan 0.000 0.264 540 P C 0.938 178.238 177.300 0.000 0.000 1.193 540 P CA -0.260 62.825 63.100 -0.025 0.000 0.763 540 P CB 0.484 32.206 31.700 0.036 0.000 0.810 541 L N 4.916 126.148 121.223 0.015 0.000 2.089 541 L HA -0.273 4.067 4.340 0.000 0.000 0.213 541 L C 2.053 178.976 176.870 0.089 0.000 1.079 541 L CA 2.390 57.270 54.840 0.066 0.000 0.758 541 L CB -1.265 40.825 42.059 0.051 0.000 0.891 541 L HN 0.445 nan 8.230 nan 0.000 0.433 542 A N -0.639 122.216 122.820 0.058 0.000 1.902 542 A HA -0.165 4.155 4.320 0.000 0.000 0.217 542 A C 2.256 179.877 177.584 0.061 0.000 1.181 542 A CA 2.033 54.101 52.037 0.052 0.000 0.623 542 A CB -0.716 18.307 19.000 0.038 0.000 0.818 542 A HN 0.500 nan 8.150 nan 0.000 0.443 543 I N -2.274 118.332 120.570 0.060 0.000 2.353 543 I HA -0.145 4.025 4.170 0.000 0.000 0.248 543 I C 2.309 178.361 176.117 -0.108 0.000 1.119 543 I CA 1.117 62.442 61.300 0.042 0.000 1.417 543 I CB -0.291 37.762 38.000 0.088 0.000 1.078 543 I HN 0.396 nan 8.210 nan 0.000 0.421 544 F N 2.050 121.882 119.950 -0.197 0.000 2.186 544 F HA -0.176 4.351 4.527 0.000 0.000 0.299 544 F C 2.377 178.072 175.800 -0.175 0.000 1.090 544 F CA 1.612 59.465 58.000 -0.245 0.000 1.307 544 F CB -0.172 38.725 39.000 -0.170 0.000 1.019 544 F HN 0.022 nan 8.300 nan 0.000 0.489 545 E N -0.443 119.735 120.200 -0.037 0.000 2.110 545 E HA -0.268 4.082 4.350 0.000 0.000 0.193 545 E C 2.250 178.802 176.600 -0.080 0.000 0.988 545 E CA 1.480 57.851 56.400 -0.049 0.000 0.804 545 E CB -0.518 29.213 29.700 0.053 0.000 0.745 545 E HN 0.573 nan 8.360 nan 0.000 0.458 546 F N 0.805 120.603 119.950 -0.255 0.000 2.171 546 F HA -0.213 4.314 4.527 0.000 0.000 0.300 546 F C 2.207 177.768 175.800 -0.398 0.000 1.090 546 F CA 0.782 58.638 58.000 -0.239 0.000 1.293 546 F CB 0.092 38.989 39.000 -0.172 0.000 1.013 546 F HN -0.008 nan 8.300 nan 0.000 0.486 547 M N 0.011 119.122 119.600 -0.815 0.000 2.229 547 M HA -0.197 4.283 4.480 0.000 0.000 0.264 547 M C 1.811 177.733 176.300 -0.630 0.000 1.063 547 M CA 1.561 56.147 55.300 -1.191 0.000 1.114 547 M CB -0.402 31.209 32.600 -1.648 0.000 1.387 547 M HN 0.186 nan 8.290 nan 0.000 0.420 548 E N 0.222 120.096 120.200 -0.543 0.000 2.047 548 E HA -0.209 4.141 4.350 0.000 0.000 0.191 548 E C 2.043 178.561 176.600 -0.137 0.000 0.987 548 E CA 1.122 57.338 56.400 -0.306 0.000 0.799 548 E CB -0.080 29.468 29.700 -0.253 0.000 0.752 548 E HN 0.555 nan 8.360 nan 0.000 0.449 549 Q N -0.120 119.627 119.800 -0.087 0.000 2.135 549 Q HA -0.183 4.157 4.340 0.000 0.000 0.204 549 Q C 2.356 178.359 176.000 0.005 0.000 0.981 549 Q CA 1.579 57.393 55.803 0.018 0.000 0.856 549 Q CB -0.158 28.671 28.738 0.152 0.000 0.902 549 Q HN 0.364 nan 8.270 nan 0.000 0.425 550 C N -0.070 119.185 119.300 -0.076 0.000 2.457 550 C HA 0.022 4.482 4.460 0.000 0.000 0.278 550 C C 2.812 177.806 174.990 0.008 0.000 1.309 550 C CA 0.372 59.363 59.018 -0.044 0.000 1.735 550 C CB -1.154 26.528 27.740 -0.096 0.000 1.992 550 C HN 0.602 nan 8.230 nan 0.000 0.493 551 A N 1.024 123.873 122.820 0.048 0.000 1.877 551 A HA -0.117 4.203 4.320 0.000 0.000 0.216 551 A C 2.011 179.571 177.584 -0.039 0.000 1.186 551 A CA 1.620 53.675 52.037 0.028 0.000 0.620 551 A CB -0.584 18.445 19.000 0.049 0.000 0.822 551 A HN 0.593 nan 8.150 nan 0.000 0.443 552 I N -1.111 119.441 120.570 -0.030 0.000 2.252 552 I HA -0.243 3.927 4.170 0.000 0.000 0.245 552 I C 2.789 178.903 176.117 -0.004 0.000 1.102 552 I CA 1.127 62.414 61.300 -0.022 0.000 1.385 552 I CB -0.371 37.626 38.000 -0.006 0.000 1.064 552 I HN 0.272 nan 8.210 nan 0.000 0.414 553 R N 0.390 120.894 120.500 0.007 0.000 2.083 553 R HA -0.203 4.137 4.340 0.000 0.000 0.237 553 R C 2.355 178.641 176.300 -0.024 0.000 1.137 553 R CA 1.542 57.655 56.100 0.022 0.000 0.951 553 R CB -0.701 29.621 30.300 0.036 0.000 0.851 553 R HN 0.264 nan 8.270 nan 0.000 0.434 554 L N 0.794 121.968 121.223 -0.082 0.000 2.017 554 L HA -0.115 4.225 4.340 0.000 0.000 0.208 554 L C 2.262 179.065 176.870 -0.112 0.000 1.073 554 L CA 2.110 56.859 54.840 -0.151 0.000 0.745 554 L CB -0.693 41.226 42.059 -0.233 0.000 0.894 554 L HN 0.114 nan 8.230 nan 0.000 0.432 555 A N -0.416 122.349 122.820 -0.092 0.000 1.858 555 A HA -0.248 4.072 4.320 0.000 0.000 0.216 555 A C 2.358 179.964 177.584 0.038 0.000 1.190 555 A CA 2.113 54.113 52.037 -0.063 0.000 0.617 555 A CB -0.609 18.331 19.000 -0.099 0.000 0.827 555 A HN 0.527 nan 8.150 nan 0.000 0.443 556 K N -0.914 119.510 120.400 0.041 0.000 2.032 556 K HA -0.127 4.193 4.320 0.000 0.000 0.209 556 K C 2.141 178.797 176.600 0.095 0.000 1.048 556 K CA 1.883 58.221 56.287 0.084 0.000 0.927 556 K CB -0.475 32.081 32.500 0.094 0.000 0.712 556 K HN 0.519 nan 8.250 nan 0.000 0.441 557 T N 0.968 115.550 114.554 0.047 0.000 2.720 557 T HA -0.116 4.234 4.350 0.000 0.000 0.268 557 T C 1.768 176.430 174.700 -0.064 0.000 1.037 557 T CA 1.642 63.734 62.100 -0.013 0.000 1.144 557 T CB -0.197 68.532 68.868 -0.231 0.000 0.864 557 T HN 0.216 nan 8.240 nan 0.000 0.444 558 V N -0.614 119.274 119.914 -0.044 0.000 3.646 558 V HA 0.523 4.643 4.120 0.000 0.000 0.277 558 V C 1.367 177.505 176.094 0.075 0.000 1.274 558 V CA 0.036 62.334 62.300 -0.003 0.000 1.164 558 V CB -1.301 30.532 31.823 0.017 0.000 0.926 558 V HN 0.548 nan 8.190 nan 0.000 0.442 559 G N -0.225 108.631 108.800 0.093 0.000 2.323 559 G HA2 -0.357 3.603 3.960 0.000 0.000 0.292 559 G HA3 -0.357 3.603 3.960 0.000 0.000 0.292 559 G C -0.201 174.759 174.900 0.100 0.000 1.040 559 G CA 0.554 45.712 45.100 0.097 0.000 0.942 559 G HN 0.832 nan 8.290 nan 0.000 0.506 560 Y N -0.743 119.555 120.300 -0.003 0.000 2.457 560 Y HA 0.429 4.979 4.550 0.000 0.000 0.341 560 Y C 0.671 176.559 175.900 -0.020 0.000 1.240 560 Y CA 0.401 58.493 58.100 -0.013 0.000 1.437 560 Y CB 0.978 39.427 38.460 -0.019 0.000 1.328 560 Y HN 0.254 nan 8.280 nan 0.000 0.588 561 V N 4.663 124.298 119.914 -0.465 0.000 2.888 561 V HA 0.528 4.648 4.120 0.000 0.000 0.309 561 V C -0.064 175.797 176.094 -0.388 0.000 1.114 561 V CA -0.205 61.925 62.300 -0.283 0.000 0.940 561 V CB 1.343 33.025 31.823 -0.234 0.000 1.021 561 V HN 1.068 nan 8.190 nan 0.000 0.426 562 S N 1.943 117.566 115.700 -0.128 0.000 3.786 562 S HA 0.007 4.477 4.470 0.000 0.000 0.632 562 S C -0.058 174.612 174.600 0.116 0.000 2.181 562 S CA 0.700 58.860 58.200 -0.067 0.000 2.807 562 S CB -1.257 61.834 63.200 -0.180 0.000 0.312 562 S HN 2.538 nan 8.310 nan 0.000 1.420 563 A N 0.660 123.556 122.820 0.127 0.000 2.325 563 A HA 0.889 5.209 4.320 0.000 0.000 0.333 563 A C 0.497 178.250 177.584 0.282 0.000 1.155 563 A CA 0.445 52.592 52.037 0.183 0.000 0.814 563 A CB 1.228 20.276 19.000 0.080 0.000 1.206 563 A HN 2.145 nan 8.150 nan 0.000 0.482 564 G N -0.546 108.332 108.800 0.130 0.000 2.623 564 G HA2 0.580 4.540 3.960 0.000 0.000 0.290 564 G HA3 0.580 4.540 3.960 0.000 0.000 0.290 564 G C -1.123 173.720 174.900 -0.094 0.000 1.437 564 G CA -0.341 44.752 45.100 -0.011 0.000 0.798 564 G HN 0.779 nan 8.290 nan 0.000 0.488 565 T N -0.085 114.409 114.554 -0.099 0.000 2.863 565 T HA 0.574 4.924 4.350 0.000 0.000 0.285 565 T C -0.665 173.964 174.700 -0.120 0.000 1.009 565 T CA -0.385 61.670 62.100 -0.076 0.000 0.989 565 T CB 1.917 70.764 68.868 -0.035 0.000 1.004 565 T HN 0.457 nan 8.240 nan 0.000 0.455 566 V N 3.464 123.311 119.914 -0.111 0.000 2.293 566 V HA 0.281 4.401 4.120 0.000 0.000 0.275 566 V C 0.108 176.028 176.094 -0.290 0.000 1.021 566 V CA -0.742 61.445 62.300 -0.189 0.000 0.815 566 V CB 0.910 32.634 31.823 -0.166 0.000 1.025 566 V HN 0.839 nan 8.190 nan 0.000 0.448 567 E N 3.932 123.933 120.200 -0.332 0.000 2.316 567 E HA 0.414 4.764 4.350 0.000 0.000 0.275 567 E C -1.231 175.123 176.600 -0.411 0.000 1.029 567 E CA -0.024 56.223 56.400 -0.255 0.000 0.871 567 E CB 1.053 30.648 29.700 -0.174 0.000 1.022 567 E HN 0.582 nan 8.360 nan 0.000 0.418 568 Y N 1.325 121.639 120.300 0.022 0.000 2.730 568 Y HA 0.530 5.080 4.550 0.000 0.000 0.325 568 Y C -0.565 175.367 175.900 0.053 0.000 1.132 568 Y CA -1.125 57.020 58.100 0.075 0.000 1.206 568 Y CB 0.992 39.539 38.460 0.144 0.000 1.390 568 Y HN 0.317 nan 8.280 nan 0.000 0.555 569 L N 1.283 122.714 121.223 0.347 0.000 2.457 569 L HA 0.375 4.715 4.340 0.000 0.000 0.266 569 L C -1.915 175.151 176.870 0.327 0.000 0.979 569 L CA -0.637 54.302 54.840 0.165 0.000 0.857 569 L CB 0.689 42.800 42.059 0.086 0.000 1.213 569 L HN 0.526 nan 8.230 nan 0.000 0.418 570 Y N 3.361 123.755 120.300 0.157 0.000 2.320 570 Y HA 0.643 5.193 4.550 0.000 0.000 0.334 570 Y C 0.067 176.054 175.900 0.145 0.000 1.055 570 Y CA -0.034 58.172 58.100 0.176 0.000 1.143 570 Y CB 1.643 40.189 38.460 0.144 0.000 1.193 570 Y HN 0.624 nan 8.280 nan 0.000 0.477 571 S N 4.985 120.389 115.700 -0.493 0.000 2.525 571 S HA 0.189 4.659 4.470 0.000 0.000 0.290 571 S C 0.716 175.028 174.600 -0.480 0.000 1.152 571 S CA -0.858 57.149 58.200 -0.322 0.000 1.072 571 S CB 0.970 64.098 63.200 -0.120 0.000 1.027 571 S HN 0.848 nan 8.310 nan 0.000 0.500 572 Q N 3.618 123.319 119.800 -0.165 0.000 2.165 572 Q HA -0.266 4.074 4.340 0.000 0.000 0.215 572 Q C 1.289 177.241 176.000 -0.080 0.000 1.010 572 Q CA 2.553 58.323 55.803 -0.056 0.000 0.896 572 Q CB -1.454 27.291 28.738 0.012 0.000 0.956 572 Q HN 0.937 nan 8.270 nan 0.000 0.413 573 D N -0.147 120.193 120.400 -0.100 0.000 2.087 573 D HA -0.097 4.543 4.640 0.000 0.000 0.218 573 D C 1.613 177.874 176.300 -0.065 0.000 0.982 573 D CA 1.620 55.589 54.000 -0.053 0.000 0.900 573 D CB -0.378 40.403 40.800 -0.032 0.000 1.072 573 D HN 0.454 nan 8.370 nan 0.000 0.459 574 G N -0.368 108.364 108.800 -0.113 0.000 3.912 574 G HA2 0.086 4.046 3.960 0.000 0.000 0.203 574 G HA3 0.086 4.046 3.960 0.000 0.000 0.203 574 G C 0.092 175.007 174.900 0.026 0.000 1.112 574 G CA 0.385 45.484 45.100 -0.002 0.000 0.871 574 G HN 0.586 nan 8.290 nan 0.000 0.549 575 S N 0.482 116.127 115.700 -0.091 0.000 2.610 575 S HA 0.819 5.289 4.470 0.000 0.000 0.273 575 S C -0.399 174.176 174.600 -0.041 0.000 1.274 575 S CA -0.647 57.511 58.200 -0.070 0.000 1.023 575 S CB 1.246 64.389 63.200 -0.094 0.000 0.962 575 S HN 1.044 nan 8.310 nan 0.000 0.523 576 F N -1.012 118.770 119.950 -0.279 0.000 2.601 576 F HA 0.803 5.330 4.527 0.000 0.000 0.309 576 F C -1.259 174.271 175.800 -0.450 0.000 1.089 576 F CA -1.131 56.762 58.000 -0.178 0.000 0.940 576 F CB 1.061 40.044 39.000 -0.029 0.000 1.273 576 F HN 0.644 nan 8.300 nan 0.000 0.450 577 H N 2.309 121.506 119.070 0.211 0.000 2.679 577 H HA 0.397 4.953 4.556 0.000 0.000 0.360 577 H C -1.344 174.198 175.328 0.356 0.000 1.105 577 H CA -0.936 55.199 56.048 0.145 0.000 1.196 577 H CB 1.797 31.584 29.762 0.042 0.000 1.636 577 H HN 0.802 nan 8.280 nan 0.000 0.531 578 F N 2.823 122.935 119.950 0.269 0.000 2.518 578 F HA 0.136 4.663 4.527 0.000 0.000 0.359 578 F C -0.156 175.616 175.800 -0.046 0.000 1.118 578 F CA 0.190 58.223 58.000 0.054 0.000 1.287 578 F CB 0.447 39.431 39.000 -0.027 0.000 1.132 578 F HN 0.522 nan 8.300 nan 0.000 0.587 579 L N 2.546 123.156 121.223 -1.022 0.000 2.586 579 L HA 0.302 4.642 4.340 0.000 0.000 0.204 579 L C -0.457 175.723 176.870 -1.151 0.000 1.053 579 L CA 0.224 54.592 54.840 -0.787 0.000 0.856 579 L CB 0.178 42.009 42.059 -0.381 0.000 1.192 579 L HN 0.815 nan 8.230 nan 0.000 0.484 580 E N -0.693 118.623 120.200 -1.473 0.000 2.421 580 E HA 0.333 4.683 4.350 0.000 0.000 0.278 580 E C -1.411 174.908 176.600 -0.468 0.000 1.141 580 E CA -0.760 55.108 56.400 -0.887 0.000 0.880 580 E CB 1.619 31.087 29.700 -0.386 0.000 1.381 580 E HN -0.031 nan 8.360 nan 0.000 0.436 581 L N 1.655 122.819 121.223 -0.098 0.000 2.372 581 L HA 0.521 4.861 4.340 0.000 0.000 0.273 581 L C -1.126 175.700 176.870 -0.074 0.000 0.989 581 L CA -0.700 54.105 54.840 -0.057 0.000 0.841 581 L CB 1.288 43.350 42.059 0.004 0.000 1.225 581 L HN 0.552 nan 8.230 nan 0.000 0.414 582 N N 6.758 125.405 118.700 -0.088 0.000 2.405 582 N HA 0.196 4.936 4.740 0.000 0.000 0.260 582 N C -2.043 173.464 175.510 -0.005 0.000 1.152 582 N CA -0.991 52.033 53.050 -0.042 0.000 0.948 582 N CB 1.412 39.874 38.487 -0.042 0.000 1.111 582 N HN 0.457 nan 8.380 nan 0.000 0.485 583 P HA 0.057 nan 4.420 nan 0.000 0.243 583 P C -0.598 176.822 177.300 0.199 0.000 1.668 583 P CA 0.249 63.496 63.100 0.244 0.000 0.898 583 P CB -0.071 31.760 31.700 0.218 0.000 1.637 584 R N -1.628 118.943 120.500 0.120 0.000 2.747 584 R HA 0.567 4.907 4.340 0.000 0.000 0.272 584 R C -1.547 174.782 176.300 0.048 0.000 1.032 584 R CA -1.249 54.885 56.100 0.057 0.000 0.896 584 R CB 0.177 30.494 30.300 0.030 0.000 1.253 584 R HN -0.155 nan 8.270 nan 0.000 0.461 585 L N 1.215 122.461 121.223 0.038 0.000 2.371 585 L HA 0.328 4.668 4.340 0.000 0.000 0.272 585 L C -0.500 176.398 176.870 0.047 0.000 1.124 585 L CA 0.309 55.174 54.840 0.041 0.000 0.816 585 L CB 1.298 43.392 42.059 0.059 0.000 1.129 585 L HN 0.623 nan 8.230 nan 0.000 0.448 586 Q N 2.097 121.832 119.800 -0.109 0.000 2.248 586 Q HA 0.250 4.590 4.340 0.000 0.000 0.263 586 Q C 0.687 176.274 176.000 -0.690 0.000 1.007 586 Q CA -0.607 55.005 55.803 -0.318 0.000 0.877 586 Q CB 2.018 30.649 28.738 -0.179 0.000 1.315 586 Q HN 0.607 nan 8.270 nan 0.000 0.454 587 V N 1.644 120.835 119.914 -1.206 0.000 2.568 587 V HA -0.241 3.879 4.120 0.000 0.000 0.253 587 V C 0.492 176.333 176.094 -0.423 0.000 1.072 587 V CA 2.076 63.632 62.300 -1.240 0.000 1.084 587 V CB -0.106 31.165 31.823 -0.920 0.000 0.676 587 V HN 0.732 nan 8.190 nan 0.000 0.469 588 E N -0.195 119.859 120.200 -0.243 0.000 2.335 588 E HA 0.030 4.380 4.350 0.000 0.000 0.191 588 E C 1.585 178.190 176.600 0.009 0.000 1.077 588 E CA 0.285 56.685 56.400 0.001 0.000 1.010 588 E CB -0.316 29.419 29.700 0.059 0.000 1.141 588 E HN 0.890 nan 8.360 nan 0.000 0.452 589 H N -1.609 117.380 119.070 -0.135 0.000 2.462 589 H HA 0.101 4.657 4.556 0.000 0.000 0.292 589 H C -1.009 174.269 175.328 -0.082 0.000 1.049 589 H CA 0.305 56.313 56.048 -0.067 0.000 1.334 589 H CB -1.408 28.339 29.762 -0.025 0.000 1.404 589 H HN 0.104 nan 8.280 nan 0.000 0.544 590 P HA -0.143 nan 4.420 nan 0.000 0.217 590 P C 1.611 178.746 177.300 -0.274 0.000 1.148 590 P CA 1.687 64.441 63.100 -0.577 0.000 0.834 590 P CB -0.190 30.933 31.700 -0.962 0.000 0.783 591 C N -1.314 117.875 119.300 -0.185 0.000 2.359 591 C HA -0.194 4.266 4.460 0.000 0.000 0.277 591 C C 2.689 177.708 174.990 0.047 0.000 1.192 591 C CA 2.024 61.060 59.018 0.030 0.000 1.759 591 C CB -1.884 25.913 27.740 0.095 0.000 2.038 591 C HN 0.298 nan 8.230 nan 0.000 0.448 592 T N 0.589 115.181 114.554 0.063 0.000 2.684 592 T HA -0.198 4.152 4.350 0.000 0.000 0.267 592 T C 1.582 176.349 174.700 0.113 0.000 1.036 592 T CA 1.763 63.932 62.100 0.115 0.000 1.148 592 T CB -0.451 68.507 68.868 0.150 0.000 0.863 592 T HN 0.662 nan 8.240 nan 0.000 0.436 593 E N 0.804 121.052 120.200 0.080 0.000 2.070 593 E HA -0.162 4.188 4.350 0.000 0.000 0.197 593 E C 2.220 178.854 176.600 0.058 0.000 1.004 593 E CA 1.283 57.724 56.400 0.068 0.000 0.805 593 E CB -0.307 29.410 29.700 0.029 0.000 0.744 593 E HN 0.511 nan 8.360 nan 0.000 0.451 594 M N 0.291 119.929 119.600 0.063 0.000 2.229 594 M HA -0.092 4.388 4.480 0.000 0.000 0.264 594 M C 2.417 178.789 176.300 0.120 0.000 1.063 594 M CA 1.185 56.535 55.300 0.083 0.000 1.114 594 M CB -0.199 32.514 32.600 0.188 0.000 1.387 594 M HN 0.228 nan 8.290 nan 0.000 0.420 595 I N -4.029 116.613 120.570 0.120 0.000 3.645 595 I HA 0.275 4.445 4.170 0.000 0.000 0.300 595 I C 1.658 177.792 176.117 0.029 0.000 1.260 595 I CA 0.345 61.692 61.300 0.079 0.000 1.365 595 I CB -0.094 37.868 38.000 -0.064 0.000 1.077 595 I HN 0.008 nan 8.210 nan 0.000 0.439 596 A N 0.125 123.016 122.820 0.120 0.000 2.431 596 A HA 0.206 4.526 4.320 0.000 0.000 0.239 596 A C 0.401 178.072 177.584 0.145 0.000 1.230 596 A CA -0.076 52.095 52.037 0.222 0.000 0.928 596 A CB -0.074 19.152 19.000 0.377 0.000 1.006 596 A HN 0.375 nan 8.150 nan 0.000 0.520 597 D N -0.250 120.201 120.400 0.085 0.000 2.689 597 D HA -0.121 4.519 4.640 0.000 0.000 0.237 597 D C -0.621 175.718 176.300 0.066 0.000 1.148 597 D CA 1.112 55.142 54.000 0.050 0.000 0.656 597 D CB -1.391 39.429 40.800 0.034 0.000 1.050 597 D HN 0.216 nan 8.370 nan 0.000 0.426 598 V N 1.354 121.315 119.914 0.077 0.000 2.443 598 V HA 0.240 4.360 4.120 0.000 0.000 0.293 598 V C 0.469 176.601 176.094 0.065 0.000 1.021 598 V CA -1.075 61.271 62.300 0.075 0.000 0.848 598 V CB 1.967 33.847 31.823 0.094 0.000 0.998 598 V HN 0.151 nan 8.190 nan 0.000 0.424 599 N N 4.759 123.486 118.700 0.045 0.000 2.415 599 N HA 0.235 4.975 4.740 0.000 0.000 0.250 599 N C 0.826 176.346 175.510 0.016 0.000 1.127 599 N CA 0.088 53.159 53.050 0.035 0.000 0.945 599 N CB 0.929 39.436 38.487 0.032 0.000 1.196 599 N HN 0.678 nan 8.380 nan 0.000 0.499 600 L N 4.907 126.175 121.223 0.076 0.000 1.976 600 L HA -0.072 4.268 4.340 0.000 0.000 0.209 600 L C -0.594 176.283 176.870 0.013 0.000 1.071 600 L CA 1.300 56.180 54.840 0.067 0.000 0.746 600 L CB -1.225 40.920 42.059 0.144 0.000 0.890 600 L HN 0.423 nan 8.230 nan 0.000 0.432 601 P HA -0.168 nan 4.420 nan 0.000 0.218 601 P C 1.299 178.509 177.300 -0.151 0.000 1.148 601 P CA 1.675 64.740 63.100 -0.060 0.000 0.822 601 P CB 0.000 31.601 31.700 -0.166 0.000 0.784 602 A N -0.269 122.433 122.820 -0.197 0.000 1.968 602 A HA -0.016 4.304 4.320 0.000 0.000 0.217 602 A C 2.251 179.532 177.584 -0.505 0.000 1.169 602 A CA 1.727 53.492 52.037 -0.455 0.000 0.638 602 A CB -1.438 17.259 19.000 -0.506 0.000 0.812 602 A HN 0.185 nan 8.150 nan 0.000 0.446 603 A N -0.569 122.091 122.820 -0.266 0.000 1.898 603 A HA -0.175 4.145 4.320 0.000 0.000 0.216 603 A C 2.110 179.612 177.584 -0.136 0.000 1.181 603 A CA 1.533 53.463 52.037 -0.178 0.000 0.620 603 A CB -0.560 18.397 19.000 -0.071 0.000 0.819 603 A HN 0.614 nan 8.150 nan 0.000 0.442 604 Q N -1.030 118.713 119.800 -0.094 0.000 2.096 604 Q HA -0.199 4.141 4.340 0.000 0.000 0.204 604 Q C 2.096 178.045 176.000 -0.085 0.000 0.982 604 Q CA 1.539 57.308 55.803 -0.057 0.000 0.850 604 Q CB -0.383 28.370 28.738 0.025 0.000 0.901 604 Q HN 0.583 nan 8.270 nan 0.000 0.422 605 L N 1.077 122.216 121.223 -0.141 0.000 1.955 605 L HA -0.262 4.078 4.340 0.000 0.000 0.213 605 L C 2.171 178.960 176.870 -0.136 0.000 1.072 605 L CA 1.939 56.688 54.840 -0.151 0.000 0.755 605 L CB -0.645 41.263 42.059 -0.251 0.000 0.888 605 L HN 0.194 nan 8.230 nan 0.000 0.432 606 Q N -0.552 119.106 119.800 -0.237 0.000 2.112 606 Q HA -0.250 4.090 4.340 0.000 0.000 0.206 606 Q C 2.265 178.298 176.000 0.056 0.000 0.987 606 Q CA 2.294 58.071 55.803 -0.044 0.000 0.858 606 Q CB -0.399 28.296 28.738 -0.072 0.000 0.905 606 Q HN 0.606 nan 8.270 nan 0.000 0.420 607 I N 0.508 121.076 120.570 -0.003 0.000 2.286 607 I HA -0.246 3.924 4.170 0.000 0.000 0.248 607 I C 2.331 178.446 176.117 -0.004 0.000 1.115 607 I CA 0.879 62.184 61.300 0.008 0.000 1.392 607 I CB -0.371 37.614 38.000 -0.025 0.000 1.065 607 I HN 0.164 nan 8.210 nan 0.000 0.418 608 A N 0.240 123.051 122.820 -0.016 0.000 2.067 608 A HA -0.091 4.229 4.320 0.000 0.000 0.219 608 A C 2.227 179.831 177.584 0.033 0.000 1.158 608 A CA 1.145 53.176 52.037 -0.010 0.000 0.661 608 A CB -0.449 18.540 19.000 -0.017 0.000 0.801 608 A HN 0.381 nan 8.150 nan 0.000 0.452 609 M N -1.279 118.366 119.600 0.075 0.000 2.561 609 M HA 0.156 4.636 4.480 0.000 0.000 0.238 609 M C 1.213 177.595 176.300 0.136 0.000 1.131 609 M CA 0.767 56.144 55.300 0.128 0.000 1.046 609 M CB 0.252 32.984 32.600 0.221 0.000 1.532 609 M HN 0.609 nan 8.290 nan 0.000 0.497 610 G N 1.121 109.987 108.800 0.110 0.000 2.142 610 G HA2 -0.181 3.779 3.960 0.000 0.000 0.225 610 G HA3 -0.181 3.779 3.960 0.000 0.000 0.225 610 G C -0.144 174.918 174.900 0.269 0.000 1.015 610 G CA -0.368 44.821 45.100 0.148 0.000 0.716 610 G HN 0.300 nan 8.290 nan 0.000 0.508 611 V N 2.634 122.676 119.914 0.213 0.000 2.488 611 V HA 0.413 4.533 4.120 0.000 0.000 0.277 611 V C -0.851 175.359 176.094 0.194 0.000 1.046 611 V CA -1.236 61.177 62.300 0.188 0.000 0.986 611 V CB 1.294 33.232 31.823 0.191 0.000 0.989 611 V HN 0.295 nan 8.190 nan 0.000 0.475 612 P HA 0.071 nan 4.420 nan 0.000 0.269 612 P C 0.775 178.037 177.300 -0.064 0.000 1.215 612 P CA -0.377 62.721 63.100 -0.003 0.000 0.780 612 P CB 1.142 32.589 31.700 -0.422 0.000 0.898 613 L N 2.446 123.710 121.223 0.067 0.000 2.043 613 L HA -0.217 4.123 4.340 0.000 0.000 0.212 613 L C 2.513 179.489 176.870 0.176 0.000 1.075 613 L CA 2.311 57.223 54.840 0.120 0.000 0.752 613 L CB -1.926 40.212 42.059 0.131 0.000 0.891 613 L HN 0.607 nan 8.230 nan 0.000 0.432 614 H N -2.970 116.250 119.070 0.250 0.000 2.563 614 H HA 0.075 4.631 4.556 0.000 0.000 0.272 614 H C 1.496 176.872 175.328 0.080 0.000 1.005 614 H CA 0.582 56.702 56.048 0.120 0.000 1.171 614 H CB -0.196 29.534 29.762 -0.053 0.000 1.351 614 H HN 0.077 nan 8.280 nan 0.000 0.602 615 R N 0.566 120.997 120.500 -0.115 0.000 2.362 615 R HA 0.285 4.625 4.340 0.000 0.000 0.227 615 R C -0.285 176.153 176.300 0.229 0.000 0.905 615 R CA -0.169 55.965 56.100 0.057 0.000 1.067 615 R CB 0.304 30.593 30.300 -0.017 0.000 1.078 615 R HN 0.368 nan 8.270 nan 0.000 0.516 616 L N 1.794 123.120 121.223 0.171 0.000 2.261 616 L HA 0.205 4.545 4.340 0.000 0.000 0.289 616 L C 1.840 178.788 176.870 0.131 0.000 1.059 616 L CA -0.256 54.697 54.840 0.189 0.000 0.816 616 L CB 1.153 43.285 42.059 0.122 0.000 1.191 616 L HN -0.117 nan 8.230 nan 0.000 0.431 617 K N 1.997 122.460 120.400 0.105 0.000 2.089 617 K HA -0.241 4.079 4.320 0.000 0.000 0.210 617 K C 0.929 177.491 176.600 -0.064 0.000 1.048 617 K CA 2.027 58.237 56.287 -0.128 0.000 0.926 617 K CB 0.230 32.479 32.500 -0.417 0.000 0.714 617 K HN 0.656 nan 8.250 nan 0.000 0.448 618 D N 0.558 120.970 120.400 0.021 0.000 2.149 618 D HA -0.163 4.477 4.640 0.000 0.000 0.198 618 D C 1.887 178.242 176.300 0.091 0.000 0.990 618 D CA 0.885 54.912 54.000 0.046 0.000 0.839 618 D CB -0.054 40.784 40.800 0.062 0.000 0.948 618 D HN 0.223 nan 8.370 nan 0.000 0.460 619 I N 0.597 121.245 120.570 0.129 0.000 2.333 619 I HA -0.094 4.076 4.170 0.000 0.000 0.246 619 I C 2.295 178.585 176.117 0.289 0.000 1.106 619 I CA 0.746 62.188 61.300 0.237 0.000 1.411 619 I CB -0.729 37.409 38.000 0.230 0.000 1.082 619 I HN 0.014 nan 8.210 nan 0.000 0.420 620 R N 0.720 121.317 120.500 0.161 0.000 2.083 620 R HA -0.152 4.188 4.340 0.000 0.000 0.237 620 R C 2.346 178.711 176.300 0.108 0.000 1.137 620 R CA 1.282 57.453 56.100 0.118 0.000 0.951 620 R CB -0.517 29.784 30.300 0.001 0.000 0.851 620 R HN 0.325 nan 8.270 nan 0.000 0.434 621 L N 0.526 121.771 121.223 0.036 0.000 2.083 621 L HA -0.182 4.158 4.340 0.000 0.000 0.209 621 L C 2.479 179.391 176.870 0.070 0.000 1.083 621 L CA 0.601 55.452 54.840 0.019 0.000 0.752 621 L CB -0.466 41.576 42.059 -0.029 0.000 0.899 621 L HN 0.182 nan 8.230 nan 0.000 0.433 622 L N -0.833 120.462 121.223 0.119 0.000 2.083 622 L HA -0.226 4.114 4.340 0.000 0.000 0.209 622 L C 1.907 178.763 176.870 -0.024 0.000 1.083 622 L CA 1.855 56.747 54.840 0.087 0.000 0.752 622 L CB -0.522 41.621 42.059 0.139 0.000 0.899 622 L HN 0.136 nan 8.230 nan 0.000 0.433 623 Y N -0.244 120.110 120.300 0.090 0.000 2.461 623 Y HA 0.328 4.878 4.550 0.000 0.000 0.277 623 Y C 1.715 177.643 175.900 0.047 0.000 1.182 623 Y CA 0.356 58.507 58.100 0.085 0.000 1.276 623 Y CB -0.131 38.393 38.460 0.108 0.000 1.087 623 Y HN 0.289 nan 8.280 nan 0.000 0.519 624 G N 0.204 109.065 108.800 0.102 0.000 2.160 624 G HA2 -0.246 3.714 3.960 0.000 0.000 0.251 624 G HA3 -0.246 3.714 3.960 0.000 0.000 0.251 624 G C 0.142 175.075 174.900 0.055 0.000 1.008 624 G CA 0.125 45.261 45.100 0.061 0.000 0.724 624 G HN 0.275 nan 8.290 nan 0.000 0.514 625 E N 0.199 120.438 120.200 0.065 0.000 2.302 625 E HA 0.555 4.905 4.350 0.000 0.000 0.255 625 E C 0.943 177.530 176.600 -0.021 0.000 1.099 625 E CA 0.098 56.513 56.400 0.025 0.000 0.929 625 E CB 0.869 30.587 29.700 0.031 0.000 1.203 625 E HN 0.546 nan 8.360 nan 0.000 0.459 626 S N 0.323 115.999 115.700 -0.041 0.000 2.549 626 S HA 0.106 4.576 4.470 0.000 0.000 0.279 626 S C -1.993 172.492 174.600 -0.190 0.000 1.321 626 S CA -1.048 57.102 58.200 -0.083 0.000 1.054 626 S CB 0.923 64.097 63.200 -0.044 0.000 0.899 626 S HN 0.147 nan 8.310 nan 0.000 0.497 627 P HA -0.108 nan 4.420 nan 0.000 0.215 627 P C 0.122 176.829 177.300 -0.988 0.000 1.163 627 P CA 1.594 64.221 63.100 -0.790 0.000 0.894 627 P CB -0.037 31.025 31.700 -1.065 0.000 0.791 628 W N -1.188 120.011 121.300 -0.167 0.000 2.966 628 W HA 0.462 5.122 4.660 0.000 0.000 0.406 628 W C 1.103 177.542 176.519 -0.134 0.000 1.027 628 W CA -0.581 56.664 57.345 -0.166 0.000 1.930 628 W CB -0.497 28.786 29.460 -0.295 0.000 1.144 628 W HN -0.156 nan 8.180 nan 0.000 0.626 629 G N 0.510 109.316 108.800 0.009 0.000 2.699 629 G HA2 0.234 4.194 3.960 0.000 0.000 0.246 629 G HA3 0.234 4.194 3.960 0.000 0.000 0.246 629 G C 0.415 175.316 174.900 0.002 0.000 1.219 629 G CA -0.070 45.033 45.100 0.005 0.000 0.866 629 G HN 0.022 nan 8.290 nan 0.000 0.572 630 V N -0.281 119.625 119.914 -0.013 0.000 3.604 630 V HA 0.082 4.202 4.120 0.000 0.000 0.277 630 V C 1.243 177.309 176.094 -0.047 0.000 1.399 630 V CA 0.476 62.771 62.300 -0.007 0.000 1.034 630 V CB -0.171 31.631 31.823 -0.035 0.000 0.824 630 V HN 0.679 nan 8.190 nan 0.000 0.439 631 T N 3.438 117.944 114.554 -0.080 0.000 2.934 631 T HA 0.166 4.516 4.350 0.000 0.000 0.306 631 T C -2.132 172.404 174.700 -0.273 0.000 1.042 631 T CA -0.254 61.757 62.100 -0.148 0.000 1.145 631 T CB 0.541 69.344 68.868 -0.109 0.000 0.982 631 T HN 0.183 nan 8.240 nan 0.000 0.544 632 P HA 0.307 nan 4.420 nan 0.000 0.270 632 P C -0.520 176.520 177.300 -0.433 0.000 1.223 632 P CA -0.233 62.511 63.100 -0.593 0.000 0.785 632 P CB 0.452 31.890 31.700 -0.436 0.000 0.923 633 I N 0.554 120.798 120.570 -0.544 0.000 2.436 633 I HA 0.174 4.344 4.170 0.000 0.000 0.289 633 I C 0.208 175.855 176.117 -0.782 0.000 1.010 633 I CA -0.659 60.267 61.300 -0.623 0.000 1.098 633 I CB 1.932 39.463 38.000 -0.782 0.000 1.266 633 I HN 0.185 nan 8.210 nan 0.000 0.434 634 S N 5.352 120.774 115.700 -0.463 0.000 2.494 634 S HA 0.243 4.713 4.470 0.000 0.000 0.312 634 S C 0.882 175.335 174.600 -0.246 0.000 1.121 634 S CA -0.295 57.725 58.200 -0.299 0.000 1.068 634 S CB -0.105 63.017 63.200 -0.130 0.000 1.141 634 S HN 0.428 nan 8.310 nan 0.000 0.527 635 F N 2.845 122.743 119.950 -0.086 0.000 2.186 635 F HA 0.031 4.558 4.527 0.000 0.000 0.299 635 F C 2.298 178.131 175.800 0.056 0.000 1.090 635 F CA 1.061 59.021 58.000 -0.067 0.000 1.307 635 F CB -0.556 38.387 39.000 -0.095 0.000 1.019 635 F HN 0.592 nan 8.300 nan 0.000 0.489 636 E N 0.102 120.425 120.200 0.205 0.000 2.058 636 E HA -0.184 4.166 4.350 0.000 0.000 0.194 636 E C 0.267 176.939 176.600 0.120 0.000 0.997 636 E CA 1.740 58.227 56.400 0.144 0.000 0.801 636 E CB -0.014 29.745 29.700 0.098 0.000 0.746 636 E HN 0.313 nan 8.360 nan 0.000 0.450 637 T N 0.307 114.917 114.554 0.094 0.000 3.305 637 T HA 0.358 4.708 4.350 0.000 0.000 0.348 637 T C -2.532 172.216 174.700 0.079 0.000 1.394 637 T CA -1.615 60.532 62.100 0.079 0.000 1.549 637 T CB 1.260 70.156 68.868 0.047 0.000 0.962 637 T HN -0.020 nan 8.240 nan 0.000 0.609 638 P HA 0.159 nan 4.420 nan 0.000 0.269 638 P C 0.993 178.356 177.300 0.104 0.000 1.215 638 P CA -0.259 62.939 63.100 0.164 0.000 0.780 638 P CB 1.150 33.076 31.700 0.376 0.000 0.898 639 S N 0.207 115.956 115.700 0.083 0.000 2.603 639 S HA 0.046 4.516 4.470 0.000 0.000 0.220 639 S C 0.537 175.171 174.600 0.056 0.000 0.967 639 S CA -0.056 58.175 58.200 0.052 0.000 0.920 639 S CB -0.621 62.596 63.200 0.029 0.000 0.773 639 S HN 0.477 nan 8.310 nan 0.000 0.529 640 N N 2.075 120.822 118.700 0.079 0.000 2.732 640 N HA 0.283 5.023 4.740 0.000 0.000 0.235 640 N C -3.312 172.207 175.510 0.015 0.000 1.466 640 N CA -0.816 52.263 53.050 0.049 0.000 0.751 640 N CB 1.518 40.035 38.487 0.049 0.000 1.317 640 N HN 0.154 nan 8.380 nan 0.000 0.525 641 P HA -0.003 nan 4.420 nan 0.000 0.255 641 P C -2.045 175.217 177.300 -0.063 0.000 1.173 641 P CA -0.198 62.890 63.100 -0.019 0.000 0.780 641 P CB -0.056 31.660 31.700 0.027 0.000 0.758 642 P HA -0.005 nan 4.420 nan 0.000 0.267 642 P C -0.723 176.667 177.300 0.150 0.000 1.195 642 P CA 0.654 63.691 63.100 -0.104 0.000 0.773 642 P CB 0.785 32.299 31.700 -0.309 0.000 0.837 643 L N 0.721 122.069 121.223 0.209 0.000 2.410 643 L HA 0.527 4.867 4.340 0.000 0.000 0.270 643 L C 0.371 177.254 176.870 0.023 0.000 0.983 643 L CA -1.308 53.630 54.840 0.164 0.000 0.822 643 L CB 2.076 44.171 42.059 0.060 0.000 1.285 643 L HN 0.380 nan 8.230 nan 0.000 0.409 644 A N 2.931 125.515 122.820 -0.394 0.000 2.477 644 A HA 0.241 4.561 4.320 0.000 0.000 0.246 644 A C 0.165 177.615 177.584 -0.224 0.000 1.078 644 A CA -0.031 51.578 52.037 -0.713 0.000 0.770 644 A CB 0.128 18.495 19.000 -1.054 0.000 1.011 644 A HN 0.796 nan 8.150 nan 0.000 0.494 645 R N 2.408 122.858 120.500 -0.084 0.000 2.235 645 R HA 0.446 4.786 4.340 0.000 0.000 0.338 645 R C 0.946 177.407 176.300 0.270 0.000 1.087 645 R CA 1.126 57.292 56.100 0.109 0.000 0.948 645 R CB -0.342 30.042 30.300 0.140 0.000 1.099 645 R HN 1.601 nan 8.270 nan 0.000 0.483 646 G N 2.255 111.138 108.800 0.138 0.000 2.593 646 G HA2 -0.322 3.638 3.960 0.000 0.000 0.237 646 G HA3 -0.322 3.638 3.960 0.000 0.000 0.237 646 G C -1.113 173.688 174.900 -0.165 0.000 1.312 646 G CA -0.048 45.007 45.100 -0.075 0.000 0.896 646 G HN 0.769 nan 8.290 nan 0.000 0.574 647 H N -2.001 116.766 119.070 -0.506 0.000 2.894 647 H HA 0.670 5.226 4.556 0.000 0.000 0.367 647 H C -0.710 174.424 175.328 -0.323 0.000 1.144 647 H CA -0.154 55.692 56.048 -0.338 0.000 1.180 647 H CB 2.147 31.724 29.762 -0.308 0.000 1.758 647 H HN 0.637 nan 8.280 nan 0.000 0.541 648 V N 5.397 125.108 119.914 -0.339 0.000 2.735 648 V HA 0.409 4.529 4.120 0.000 0.000 0.310 648 V C -0.711 175.370 176.094 -0.021 0.000 1.061 648 V CA -0.755 61.508 62.300 -0.062 0.000 0.913 648 V CB 1.890 33.756 31.823 0.072 0.000 1.005 648 V HN 0.593 nan 8.190 nan 0.000 0.428 649 I N 3.252 123.865 120.570 0.071 0.000 2.498 649 I HA 0.780 4.950 4.170 0.000 0.000 0.290 649 I C 0.080 176.202 176.117 0.008 0.000 1.032 649 I CA -0.446 60.898 61.300 0.073 0.000 1.073 649 I CB 1.726 39.778 38.000 0.088 0.000 1.251 649 I HN 0.742 nan 8.210 nan 0.000 0.426 650 A N 4.858 127.655 122.820 -0.038 0.000 2.371 650 A HA 0.952 5.272 4.320 0.000 0.000 0.311 650 A C -0.760 176.677 177.584 -0.246 0.000 1.068 650 A CA -0.525 51.373 52.037 -0.232 0.000 0.744 650 A CB 1.798 20.694 19.000 -0.173 0.000 1.239 650 A HN 0.831 nan 8.150 nan 0.000 0.435 651 A N 1.803 124.403 122.820 -0.368 0.000 2.386 651 A HA 0.798 5.118 4.320 0.000 0.000 0.311 651 A C -0.189 177.161 177.584 -0.390 0.000 1.068 651 A CA -0.672 51.175 52.037 -0.316 0.000 0.743 651 A CB 1.094 19.906 19.000 -0.314 0.000 1.258 651 A HN 0.865 nan 8.150 nan 0.000 0.429 652 R N 1.401 121.691 120.500 -0.350 0.000 2.368 652 R HA 0.635 4.975 4.340 0.000 0.000 0.302 652 R C -0.573 175.604 176.300 -0.205 0.000 1.002 652 R CA -0.306 55.503 56.100 -0.484 0.000 0.929 652 R CB 0.574 30.643 30.300 -0.385 0.000 1.073 652 R HN 0.783 nan 8.270 nan 0.000 0.464 653 I N -0.397 120.101 120.570 -0.121 0.000 2.957 653 I HA 0.678 4.848 4.170 0.000 0.000 0.310 653 I C -0.700 175.633 176.117 0.360 0.000 1.063 653 I CA -0.827 60.546 61.300 0.123 0.000 1.033 653 I CB 2.518 40.569 38.000 0.085 0.000 1.230 653 I HN 0.597 nan 8.210 nan 0.000 0.447 654 T N -0.002 114.834 114.554 0.470 0.000 2.903 654 T HA 0.479 4.829 4.350 0.000 0.000 0.299 654 T C -0.242 174.677 174.700 0.365 0.000 1.093 654 T CA -0.690 61.695 62.100 0.476 0.000 1.002 654 T CB 1.535 70.544 68.868 0.234 0.000 1.127 654 T HN 0.654 nan 8.240 nan 0.000 0.488 655 S N 0.544 116.430 115.700 0.310 0.000 2.617 655 S HA 0.401 4.871 4.470 0.000 0.000 0.259 655 S C 0.394 174.894 174.600 -0.167 0.000 1.301 655 S CA -0.472 57.608 58.200 -0.200 0.000 0.984 655 S CB 0.739 63.940 63.200 0.002 0.000 0.954 655 S HN 0.866 nan 8.310 nan 0.000 0.572 667 G N 1.024 109.833 108.800 0.015 0.000 2.465 667 G HA2 0.394 4.354 3.960 0.000 0.000 0.681 667 G HA3 0.394 4.354 3.960 0.000 0.000 0.681 667 G C 0.056 174.988 174.900 0.054 0.000 1.340 667 G CA 0.505 45.620 45.100 0.025 0.000 0.884 667 G HN 2.000 nan 8.290 nan 0.000 0.650 668 T N -2.909 111.687 114.554 0.070 0.000 2.969 668 T HA 0.546 4.896 4.350 0.000 0.000 0.250 668 T C 0.699 175.457 174.700 0.097 0.000 1.021 668 T CA 0.961 63.117 62.100 0.094 0.000 1.003 668 T CB 0.849 69.802 68.868 0.142 0.000 1.040 668 T HN 1.869 nan 8.240 nan 0.000 0.492 669 V N 1.994 121.978 119.914 0.117 0.000 2.488 669 V HA 0.502 4.622 4.120 0.000 0.000 0.293 669 V C -1.492 174.705 176.094 0.172 0.000 1.027 669 V CA -0.739 61.650 62.300 0.150 0.000 0.862 669 V CB 1.592 33.492 31.823 0.128 0.000 1.008 669 V HN 0.513 nan 8.190 nan 0.000 0.428 670 Q N 4.602 124.541 119.800 0.232 0.000 2.290 670 Q HA 0.410 4.750 4.340 0.000 0.000 0.259 670 Q C -0.263 175.881 176.000 0.240 0.000 0.941 670 Q CA -0.414 55.514 55.803 0.208 0.000 0.912 670 Q CB 1.410 30.277 28.738 0.215 0.000 1.244 670 Q HN 0.875 nan 8.270 nan 0.000 0.441 671 E N 4.567 124.872 120.200 0.174 0.000 2.257 671 E HA 0.183 4.533 4.350 0.000 0.000 0.278 671 E C -1.079 175.578 176.600 0.096 0.000 1.049 671 E CA -0.247 56.266 56.400 0.187 0.000 0.876 671 E CB 0.592 30.369 29.700 0.128 0.000 1.035 671 E HN 0.581 nan 8.360 nan 0.000 0.419 672 L N 4.669 125.949 121.223 0.094 0.000 2.289 672 L HA 0.388 4.728 4.340 0.000 0.000 0.285 672 L C -0.316 176.363 176.870 -0.318 0.000 1.049 672 L CA -0.616 54.119 54.840 -0.174 0.000 0.804 672 L CB 1.236 43.169 42.059 -0.210 0.000 1.195 672 L HN 0.555 nan 8.230 nan 0.000 0.428 673 N N 2.028 120.407 118.700 -0.535 0.000 2.240 673 N HA 0.660 5.400 4.740 0.000 0.000 0.302 673 N C -1.508 173.556 175.510 -0.743 0.000 1.106 673 N CA -0.367 52.424 53.050 -0.432 0.000 0.778 673 N CB 1.860 40.260 38.487 -0.145 0.000 1.431 673 N HN 0.196 nan 8.380 nan 0.000 0.479 674 F N 0.508 120.492 119.950 0.055 0.000 2.507 674 F HA 0.456 4.983 4.527 0.000 0.000 0.328 674 F C 1.431 177.251 175.800 0.034 0.000 1.136 674 F CA -0.793 57.225 58.000 0.029 0.000 0.930 674 F CB 1.813 40.825 39.000 0.022 0.000 1.166 674 F HN 0.317 nan 8.300 nan 0.000 0.436 675 R N 0.578 121.175 120.500 0.162 0.000 2.153 675 R HA -0.025 4.315 4.340 0.000 0.000 0.218 675 R C 1.563 177.930 176.300 0.112 0.000 1.072 675 R CA 0.993 57.156 56.100 0.106 0.000 0.990 675 R CB -0.165 30.174 30.300 0.066 0.000 0.889 675 R HN 0.554 nan 8.270 nan 0.000 0.452 676 S N 0.874 116.656 115.700 0.137 0.000 2.343 676 S HA -0.038 4.432 4.470 0.000 0.000 0.212 676 S C 0.904 175.554 174.600 0.083 0.000 1.033 676 S CA 0.896 59.150 58.200 0.090 0.000 1.004 676 S CB 0.032 63.272 63.200 0.065 0.000 0.977 676 S HN 0.174 nan 8.310 nan 0.000 0.427 677 S N 1.624 117.380 115.700 0.094 0.000 2.480 677 S HA 0.267 4.737 4.470 0.000 0.000 0.286 677 S C 0.885 175.576 174.600 0.152 0.000 1.180 677 S CA -0.769 57.482 58.200 0.084 0.000 1.075 677 S CB 1.510 64.716 63.200 0.011 0.000 0.996 677 S HN 0.521 nan 8.310 nan 0.000 0.487 678 K N 1.544 122.028 120.400 0.140 0.000 2.379 678 K HA 0.184 4.504 4.320 0.000 0.000 0.194 678 K C 0.091 176.804 176.600 0.188 0.000 1.031 678 K CA 0.253 56.632 56.287 0.154 0.000 1.037 678 K CB 0.053 32.621 32.500 0.113 0.000 0.824 678 K HN 0.273 nan 8.250 nan 0.000 0.516 679 N N 1.462 120.290 118.700 0.213 0.000 2.279 679 N HA 0.104 4.844 4.740 0.000 0.000 0.226 679 N C -1.036 174.664 175.510 0.316 0.000 1.126 679 N CA 0.062 53.285 53.050 0.288 0.000 0.846 679 N CB 1.246 39.962 38.487 0.380 0.000 1.050 679 N HN -0.045 nan 8.380 nan 0.000 0.502 680 V N 1.717 121.807 119.914 0.292 0.000 2.656 680 V HA 0.562 4.682 4.120 0.000 0.000 0.307 680 V C -0.678 175.730 176.094 0.524 0.000 1.051 680 V CA -0.907 61.556 62.300 0.272 0.000 0.893 680 V CB 2.493 34.311 31.823 -0.009 0.000 0.999 680 V HN 0.198 nan 8.190 nan 0.000 0.426 681 W N 3.038 124.556 121.300 0.364 0.000 3.083 681 W HA 0.908 5.568 4.660 0.000 0.000 0.333 681 W C -0.510 176.282 176.519 0.456 0.000 1.217 681 W CA -0.571 57.011 57.345 0.396 0.000 1.170 681 W CB 1.674 31.291 29.460 0.263 0.000 1.437 681 W HN 0.882 nan 8.180 nan 0.000 0.557 682 G N 0.965 110.088 108.800 0.537 0.000 2.634 682 G HA2 0.759 4.719 3.960 0.000 0.000 0.309 682 G HA3 0.759 4.719 3.960 0.000 0.000 0.309 682 G C -2.278 172.895 174.900 0.454 0.000 1.299 682 G CA -0.352 44.893 45.100 0.241 0.000 0.798 682 G HN 1.248 nan 8.290 nan 0.000 0.490 683 Y N -2.647 117.801 120.300 0.247 0.000 2.788 683 Y HA 0.835 5.385 4.550 0.000 0.000 0.335 683 Y C -2.159 173.915 175.900 0.291 0.000 1.287 683 Y CA -2.274 55.986 58.100 0.266 0.000 1.068 683 Y CB 1.648 40.294 38.460 0.309 0.000 1.340 683 Y HN 0.835 nan 8.280 nan 0.000 0.449 684 F N 0.779 120.808 119.950 0.131 0.000 2.623 684 F HA 0.636 5.163 4.527 0.000 0.000 0.323 684 F C -1.383 174.467 175.800 0.084 0.000 1.158 684 F CA -0.440 57.551 58.000 -0.016 0.000 1.030 684 F CB 2.180 41.223 39.000 0.072 0.000 1.280 684 F HN 0.626 nan 8.300 nan 0.000 0.474 685 S N 4.942 120.297 115.700 -0.575 0.000 2.438 685 S HA 0.662 5.132 4.470 0.000 0.000 0.316 685 S C -0.431 173.897 174.600 -0.453 0.000 1.084 685 S CA -0.675 57.287 58.200 -0.397 0.000 1.107 685 S CB 1.197 64.100 63.200 -0.495 0.000 0.981 685 S HN 0.576 nan 8.310 nan 0.000 0.466 700 F N -0.094 119.608 119.950 -0.413 0.000 2.629 700 F HA 0.942 5.469 4.527 0.000 0.000 0.316 700 F C -0.293 175.171 175.800 -0.560 0.000 1.081 700 F CA 0.017 57.815 58.000 -0.336 0.000 0.954 700 F CB 1.863 40.791 39.000 -0.119 0.000 1.337 700 F HN 0.339 nan 8.300 nan 0.000 0.474 701 G N 0.173 108.774 108.800 -0.331 0.000 2.600 701 G HA2 0.558 4.518 3.960 0.000 0.000 0.293 701 G HA3 0.558 4.518 3.960 0.000 0.000 0.293 701 G C -2.671 171.963 174.900 -0.444 0.000 1.408 701 G CA -0.904 43.884 45.100 -0.521 0.000 0.782 701 G HN 0.949 nan 8.290 nan 0.000 0.482 702 H N -2.091 116.466 119.070 -0.855 0.000 2.806 702 H HA 0.645 5.201 4.556 0.000 0.000 0.367 702 H C -0.953 173.948 175.328 -0.713 0.000 1.136 702 H CA -0.282 55.397 56.048 -0.614 0.000 1.178 702 H CB 2.138 31.650 29.762 -0.416 0.000 1.718 702 H HN 0.616 nan 8.280 nan 0.000 0.540 703 C N 3.126 122.034 119.300 -0.654 0.000 2.455 703 C HA 0.530 4.990 4.460 0.000 0.000 0.320 703 C C -0.955 173.517 174.990 -0.864 0.000 1.226 703 C CA -0.757 57.916 59.018 -0.575 0.000 1.569 703 C CB -0.485 27.037 27.740 -0.363 0.000 2.200 703 C HN 0.616 nan 8.230 nan 0.000 0.491 704 F N 2.054 121.721 119.950 -0.473 0.000 2.449 704 F HA 0.525 5.052 4.527 0.000 0.000 0.342 704 F C 0.476 176.160 175.800 -0.192 0.000 1.127 704 F CA -0.188 57.570 58.000 -0.403 0.000 0.975 704 F CB 1.658 40.239 39.000 -0.699 0.000 1.146 704 F HN 0.463 nan 8.300 nan 0.000 0.444 705 S N 4.065 119.815 115.700 0.083 0.000 2.519 705 S HA 0.488 4.958 4.470 0.000 0.000 0.309 705 S C -1.390 173.335 174.600 0.208 0.000 1.100 705 S CA -0.436 57.832 58.200 0.113 0.000 1.059 705 S CB 0.476 63.670 63.200 -0.010 0.000 1.008 705 S HN 0.606 nan 8.310 nan 0.000 0.478 706 W N 3.914 125.272 121.300 0.097 0.000 2.570 706 W HA 0.744 5.404 4.660 0.000 0.000 0.337 706 W C -0.021 176.539 176.519 0.068 0.000 1.067 706 W CA -0.063 57.336 57.345 0.090 0.000 1.229 706 W CB 1.540 31.065 29.460 0.107 0.000 1.355 706 W HN 0.867 nan 8.180 nan 0.000 0.555 707 G N 3.080 111.222 108.800 -1.096 0.000 2.704 707 G HA2 0.204 4.164 3.960 0.000 0.000 0.293 707 G HA3 0.204 4.164 3.960 0.000 0.000 0.293 707 G C 0.009 174.023 174.900 -1.477 0.000 1.421 707 G CA -0.594 43.937 45.100 -0.947 0.000 0.870 707 G HN 0.493 nan 8.290 nan 0.000 0.492 708 E N 0.180 119.863 120.200 -0.862 0.000 2.077 708 E HA -0.131 4.219 4.350 0.000 0.000 0.193 708 E C 0.795 177.175 176.600 -0.366 0.000 0.989 708 E CA 1.365 57.466 56.400 -0.498 0.000 0.800 708 E CB -0.326 29.282 29.700 -0.154 0.000 0.746 708 E HN 0.732 nan 8.360 nan 0.000 0.452 709 N N -0.848 117.655 118.700 -0.328 0.000 2.697 709 N HA 0.287 5.027 4.740 0.000 0.000 0.272 709 N C 0.628 175.949 175.510 -0.315 0.000 1.381 709 N CA -0.866 52.026 53.050 -0.264 0.000 0.797 709 N CB 1.982 40.345 38.487 -0.206 0.000 1.523 709 N HN -0.177 nan 8.380 nan 0.000 0.518 710 R N 0.346 120.562 120.500 -0.473 0.000 2.103 710 R HA -0.253 4.087 4.340 0.000 0.000 0.242 710 R C 1.877 177.956 176.300 -0.368 0.000 1.142 710 R CA 2.515 58.175 56.100 -0.733 0.000 0.960 710 R CB -0.309 29.360 30.300 -1.051 0.000 0.858 710 R HN 0.782 nan 8.270 nan 0.000 0.439 711 E N 0.644 120.671 120.200 -0.288 0.000 2.058 711 E HA -0.219 4.131 4.350 0.000 0.000 0.194 711 E C 1.646 178.157 176.600 -0.148 0.000 0.997 711 E CA 1.802 58.087 56.400 -0.192 0.000 0.801 711 E CB -0.281 29.321 29.700 -0.163 0.000 0.746 711 E HN 0.317 nan 8.360 nan 0.000 0.450 712 E N 0.230 120.332 120.200 -0.164 0.000 2.106 712 E HA -0.105 4.245 4.350 0.000 0.000 0.192 712 E C 2.048 178.571 176.600 -0.128 0.000 0.984 712 E CA 1.229 57.546 56.400 -0.138 0.000 0.806 712 E CB -0.465 29.137 29.700 -0.163 0.000 0.750 712 E HN 0.452 nan 8.360 nan 0.000 0.458 713 A N 0.993 123.717 122.820 -0.160 0.000 1.933 713 A HA -0.146 4.174 4.320 0.000 0.000 0.218 713 A C 2.304 179.864 177.584 -0.039 0.000 1.175 713 A CA 1.088 53.066 52.037 -0.099 0.000 0.628 713 A CB -0.562 18.408 19.000 -0.051 0.000 0.814 713 A HN 0.179 nan 8.150 nan 0.000 0.444 714 I N -0.408 120.141 120.570 -0.034 0.000 2.163 714 I HA -0.209 3.961 4.170 0.000 0.000 0.240 714 I C 2.711 178.808 176.117 -0.032 0.000 1.081 714 I CA 1.379 62.685 61.300 0.010 0.000 1.353 714 I CB -0.473 37.560 38.000 0.055 0.000 1.054 714 I HN 0.216 nan 8.210 nan 0.000 0.407 715 S N 0.974 116.645 115.700 -0.049 0.000 2.365 715 S HA -0.235 4.235 4.470 0.000 0.000 0.225 715 S C 1.679 176.242 174.600 -0.062 0.000 1.039 715 S CA 2.028 60.196 58.200 -0.054 0.000 1.033 715 S CB -0.818 62.351 63.200 -0.052 0.000 0.887 715 S HN 0.496 nan 8.310 nan 0.000 0.447 716 N N 0.677 119.343 118.700 -0.056 0.000 2.069 716 N HA -0.164 4.576 4.740 0.000 0.000 0.191 716 N C 1.847 177.286 175.510 -0.119 0.000 1.031 716 N CA 1.516 54.530 53.050 -0.059 0.000 0.852 716 N CB -0.236 38.243 38.487 -0.013 0.000 1.018 716 N HN 0.236 nan 8.380 nan 0.000 0.423 717 M N 1.227 120.754 119.600 -0.121 0.000 2.080 717 M HA -0.083 4.397 4.480 0.000 0.000 0.260 717 M C 1.821 177.994 176.300 -0.213 0.000 1.068 717 M CA 1.363 56.551 55.300 -0.187 0.000 1.109 717 M CB -0.385 32.125 32.600 -0.150 0.000 1.342 717 M HN -0.082 nan 8.290 nan 0.000 0.405 718 V N -0.805 119.017 119.914 -0.153 0.000 2.490 718 V HA -0.232 3.888 4.120 0.000 0.000 0.250 718 V C 2.312 178.319 176.094 -0.144 0.000 1.061 718 V CA 1.619 63.833 62.300 -0.144 0.000 1.064 718 V CB -0.762 31.000 31.823 -0.101 0.000 0.670 718 V HN 0.410 nan 8.190 nan 0.000 0.461 719 V N -0.071 119.761 119.914 -0.137 0.000 2.488 719 V HA -0.104 4.016 4.120 0.000 0.000 0.246 719 V C 2.598 178.582 176.094 -0.183 0.000 1.046 719 V CA 1.597 63.826 62.300 -0.119 0.000 1.053 719 V CB -0.771 31.005 31.823 -0.078 0.000 0.679 719 V HN 0.538 nan 8.190 nan 0.000 0.458 720 A N -0.108 122.517 122.820 -0.325 0.000 1.898 720 A HA -0.086 4.234 4.320 0.000 0.000 0.216 720 A C 2.192 179.443 177.584 -0.555 0.000 1.181 720 A CA 1.428 53.063 52.037 -0.671 0.000 0.620 720 A CB -0.457 17.889 19.000 -1.090 0.000 0.819 720 A HN 0.474 nan 8.150 nan 0.000 0.442 721 L N -0.912 120.078 121.223 -0.389 0.000 2.093 721 L HA -0.178 4.162 4.340 0.000 0.000 0.208 721 L C 2.546 179.321 176.870 -0.158 0.000 1.085 721 L CA 1.576 56.254 54.840 -0.270 0.000 0.755 721 L CB -0.408 41.509 42.059 -0.236 0.000 0.904 721 L HN 0.373 nan 8.230 nan 0.000 0.435 722 K N -0.170 120.152 120.400 -0.131 0.000 2.103 722 K HA -0.188 4.132 4.320 0.000 0.000 0.204 722 K C 2.008 178.589 176.600 -0.031 0.000 1.052 722 K CA 0.958 57.205 56.287 -0.067 0.000 0.945 722 K CB -0.007 32.458 32.500 -0.058 0.000 0.722 722 K HN 0.238 nan 8.250 nan 0.000 0.443 723 E N 0.935 121.117 120.200 -0.028 0.000 2.204 723 E HA -0.156 4.194 4.350 0.000 0.000 0.195 723 E C 1.889 178.543 176.600 0.090 0.000 0.990 723 E CA 0.520 56.957 56.400 0.061 0.000 0.821 723 E CB 0.133 29.930 29.700 0.161 0.000 0.750 723 E HN 0.258 nan 8.360 nan 0.000 0.477 724 L N 0.513 121.762 121.223 0.044 0.000 2.044 724 L HA -0.165 4.175 4.340 0.000 0.000 0.205 724 L C 2.623 179.517 176.870 0.038 0.000 1.075 724 L CA 1.359 56.192 54.840 -0.011 0.000 0.747 724 L CB -0.334 41.614 42.059 -0.186 0.000 0.903 724 L HN 0.229 nan 8.230 nan 0.000 0.435 725 S N 0.156 115.878 115.700 0.037 0.000 2.407 725 S HA -0.275 4.195 4.470 0.000 0.000 0.235 725 S C 1.791 176.436 174.600 0.075 0.000 1.036 725 S CA 1.571 59.814 58.200 0.072 0.000 1.013 725 S CB -0.964 62.256 63.200 0.034 0.000 0.820 725 S HN 0.412 nan 8.310 nan 0.000 0.476 726 I N 1.089 121.694 120.570 0.059 0.000 2.163 726 I HA -0.123 4.047 4.170 0.000 0.000 0.243 726 I C 1.591 177.745 176.117 0.063 0.000 1.085 726 I CA 0.844 62.174 61.300 0.050 0.000 1.347 726 I CB -0.386 37.639 38.000 0.042 0.000 1.044 726 I HN 0.104 nan 8.210 nan 0.000 0.408 727 R N 1.061 121.619 120.500 0.097 0.000 2.583 727 R HA -0.009 4.331 4.340 0.000 0.000 0.274 727 R C 1.446 177.801 176.300 0.091 0.000 0.998 727 R CA 0.691 56.863 56.100 0.120 0.000 1.081 727 R CB 0.178 30.628 30.300 0.250 0.000 0.940 727 R HN 0.260 nan 8.270 nan 0.000 0.413 728 G N 2.150 110.963 108.800 0.020 0.000 2.440 728 G HA2 -0.316 3.644 3.960 0.000 0.000 0.218 728 G HA3 -0.316 3.644 3.960 0.000 0.000 0.218 728 G C 0.567 175.402 174.900 -0.107 0.000 1.154 728 G CA 0.997 46.080 45.100 -0.029 0.000 0.767 728 G HN 0.790 nan 8.290 nan 0.000 0.552 729 D N 0.121 120.385 120.400 -0.227 0.000 2.351 729 D HA -0.061 4.579 4.640 0.000 0.000 0.216 729 D C 0.859 176.666 176.300 -0.821 0.000 0.968 729 D CA 0.517 54.179 54.000 -0.563 0.000 0.899 729 D CB -0.406 39.890 40.800 -0.841 0.000 0.907 729 D HN 0.475 nan 8.370 nan 0.000 0.514 730 F N -0.263 119.626 119.950 -0.103 0.000 2.814 730 F HA 0.323 4.850 4.527 0.000 0.000 0.326 730 F C 1.156 176.933 175.800 -0.039 0.000 1.159 730 F CA -0.860 57.093 58.000 -0.078 0.000 1.234 730 F CB 0.275 39.212 39.000 -0.105 0.000 1.016 730 F HN -0.143 nan 8.300 nan 0.000 0.510 731 R N -1.756 118.785 120.500 0.069 0.000 2.328 731 R HA 0.208 4.548 4.340 0.000 0.000 0.200 731 R C 0.188 176.515 176.300 0.046 0.000 0.983 731 R CA 1.074 57.206 56.100 0.053 0.000 1.062 731 R CB -0.535 29.778 30.300 0.020 0.000 0.956 731 R HN 0.147 nan 8.270 nan 0.000 0.479 732 T N -0.876 113.712 114.554 0.057 0.000 3.636 732 T HA -0.043 4.307 4.350 0.000 0.000 0.279 732 T C 1.515 176.271 174.700 0.093 0.000 0.977 732 T CA 0.558 62.690 62.100 0.053 0.000 1.139 732 T CB 0.064 68.943 68.868 0.018 0.000 1.147 732 T HN 0.351 nan 8.240 nan 0.000 0.442 733 T N 2.484 117.097 114.554 0.098 0.000 2.802 733 T HA -0.132 4.218 4.350 0.000 0.000 0.269 733 T C 1.640 176.516 174.700 0.293 0.000 1.062 733 T CA 1.652 63.844 62.100 0.154 0.000 1.133 733 T CB -0.911 68.046 68.868 0.147 0.000 0.852 733 T HN 0.456 nan 8.240 nan 0.000 0.485 734 V N -2.186 117.865 119.914 0.227 0.000 3.177 734 V HA 0.533 4.653 4.120 0.000 0.000 0.342 734 V C 1.680 177.810 176.094 0.061 0.000 1.379 734 V CA -0.094 62.286 62.300 0.133 0.000 1.191 734 V CB 0.034 31.882 31.823 0.041 0.000 1.167 734 V HN 0.085 nan 8.190 nan 0.000 0.471 735 E N 1.365 121.652 120.200 0.144 0.000 2.140 735 E HA 0.011 4.361 4.350 0.000 0.000 0.191 735 E C 1.788 178.439 176.600 0.085 0.000 0.973 735 E CA 1.615 58.065 56.400 0.084 0.000 0.829 735 E CB -0.375 29.378 29.700 0.088 0.000 0.781 735 E HN 0.932 nan 8.360 nan 0.000 0.466 736 Y N -0.782 119.499 120.300 -0.032 0.000 2.314 736 Y HA 0.027 4.577 4.550 0.000 0.000 0.293 736 Y C 1.750 177.610 175.900 -0.066 0.000 1.129 736 Y CA 0.644 58.720 58.100 -0.040 0.000 1.201 736 Y CB -0.450 37.987 38.460 -0.039 0.000 0.999 736 Y HN -0.096 nan 8.280 nan 0.000 0.541 737 L N 0.510 121.177 121.223 -0.927 0.000 2.046 737 L HA -0.164 4.176 4.340 0.000 0.000 0.208 737 L C 2.486 179.106 176.870 -0.416 0.000 1.077 737 L CA 1.329 55.687 54.840 -0.804 0.000 0.747 737 L CB -0.474 41.175 42.059 -0.684 0.000 0.896 737 L HN 0.313 nan 8.230 nan 0.000 0.432 738 I N -0.028 120.380 120.570 -0.270 0.000 2.179 738 I HA -0.313 3.857 4.170 0.000 0.000 0.242 738 I C 2.083 178.116 176.117 -0.140 0.000 1.088 738 I CA 1.717 62.910 61.300 -0.178 0.000 1.357 738 I CB -0.488 37.444 38.000 -0.113 0.000 1.051 738 I HN 0.337 nan 8.210 nan 0.000 0.409 739 N N 0.857 119.496 118.700 -0.102 0.000 2.104 739 N HA -0.207 4.533 4.740 0.000 0.000 0.190 739 N C 2.028 177.503 175.510 -0.058 0.000 1.024 739 N CA 1.007 54.026 53.050 -0.051 0.000 0.853 739 N CB -0.140 38.349 38.487 0.003 0.000 1.008 739 N HN 0.326 nan 8.380 nan 0.000 0.424 740 L N 1.302 122.464 121.223 -0.101 0.000 1.994 740 L HA -0.133 4.207 4.340 0.000 0.000 0.208 740 L C 1.942 178.686 176.870 -0.209 0.000 1.071 740 L CA 1.264 56.063 54.840 -0.068 0.000 0.745 740 L CB -0.221 41.734 42.059 -0.173 0.000 0.892 740 L HN 0.193 nan 8.230 nan 0.000 0.431 741 L N -0.357 120.654 121.223 -0.353 0.000 2.191 741 L HA -0.187 4.153 4.340 0.000 0.000 0.212 741 L C 2.238 179.095 176.870 -0.022 0.000 1.103 741 L CA 1.200 55.827 54.840 -0.354 0.000 0.769 741 L CB -0.448 41.442 42.059 -0.280 0.000 0.908 741 L HN 0.388 nan 8.230 nan 0.000 0.438 742 E N -0.636 119.526 120.200 -0.062 0.000 2.447 742 E HA -0.020 4.330 4.350 0.000 0.000 0.195 742 E C 0.772 177.344 176.600 -0.046 0.000 1.028 742 E CA 0.196 56.576 56.400 -0.034 0.000 0.876 742 E CB 0.212 29.884 29.700 -0.047 0.000 0.885 742 E HN 0.454 nan 8.360 nan 0.000 0.500 743 T N -0.668 113.842 114.554 -0.074 0.000 2.934 743 T HA -0.045 4.305 4.350 0.000 0.000 0.306 743 T C 0.978 175.558 174.700 -0.199 0.000 1.042 743 T CA -0.106 61.902 62.100 -0.153 0.000 1.145 743 T CB 1.557 70.262 68.868 -0.272 0.000 0.982 743 T HN 0.078 nan 8.240 nan 0.000 0.544 744 E N 1.924 122.011 120.200 -0.188 0.000 2.171 744 E HA -0.189 4.161 4.350 0.000 0.000 0.197 744 E C 2.154 178.587 176.600 -0.278 0.000 0.997 744 E CA 1.317 57.607 56.400 -0.183 0.000 0.810 744 E CB -0.292 29.326 29.700 -0.137 0.000 0.738 744 E HN 0.774 nan 8.360 nan 0.000 0.467 745 S N -0.712 114.707 115.700 -0.467 0.000 2.348 745 S HA -0.182 4.288 4.470 0.000 0.000 0.221 745 S C 1.592 175.840 174.600 -0.587 0.000 1.033 745 S CA 1.279 59.064 58.200 -0.692 0.000 1.010 745 S CB -0.432 61.918 63.200 -1.416 0.000 0.891 745 S HN 0.494 nan 8.310 nan 0.000 0.442 746 F N 2.246 121.736 119.950 -0.767 0.000 2.186 746 F HA -0.016 4.511 4.527 0.000 0.000 0.299 746 F C 2.495 178.174 175.800 -0.201 0.000 1.090 746 F CA 1.411 59.212 58.000 -0.332 0.000 1.307 746 F CB -0.446 38.447 39.000 -0.178 0.000 1.019 746 F HN 0.202 nan 8.300 nan 0.000 0.489 747 Q N 0.438 120.123 119.800 -0.192 0.000 2.061 747 Q HA -0.192 4.148 4.340 0.000 0.000 0.204 747 Q C 1.697 177.531 176.000 -0.276 0.000 0.984 747 Q CA 1.568 57.241 55.803 -0.216 0.000 0.846 747 Q CB -0.805 27.858 28.738 -0.124 0.000 0.902 747 Q HN 0.495 nan 8.270 nan 0.000 0.421 748 N N 0.991 119.546 118.700 -0.241 0.000 2.515 748 N HA -0.077 4.663 4.740 0.000 0.000 0.185 748 N C -0.071 175.308 175.510 -0.218 0.000 1.109 748 N CA 0.129 53.058 53.050 -0.202 0.000 0.903 748 N CB -0.241 38.152 38.487 -0.157 0.000 0.969 748 N HN 0.406 nan 8.380 nan 0.000 0.450 749 N N 1.241 119.765 118.700 -0.294 0.000 2.738 749 N HA -0.146 4.594 4.740 0.000 0.000 0.249 749 N C -1.475 173.968 175.510 -0.110 0.000 1.047 749 N CA -0.073 52.819 53.050 -0.262 0.000 0.707 749 N CB -0.580 37.745 38.487 -0.270 0.000 0.937 749 N HN 0.110 nan 8.380 nan 0.000 0.545 750 D N 0.675 121.027 120.400 -0.079 0.000 2.449 750 D HA -0.024 4.616 4.640 0.000 0.000 0.236 750 D C 1.472 177.826 176.300 0.089 0.000 1.149 750 D CA -0.183 53.818 54.000 0.001 0.000 0.878 750 D CB 0.701 41.496 40.800 -0.008 0.000 1.198 750 D HN 0.324 nan 8.370 nan 0.000 0.446 751 I N 1.559 122.184 120.570 0.093 0.000 2.179 751 I HA -0.194 3.976 4.170 0.000 0.000 0.242 751 I C 0.492 176.694 176.117 0.142 0.000 1.088 751 I CA 1.083 62.458 61.300 0.124 0.000 1.357 751 I CB -0.304 37.768 38.000 0.121 0.000 1.051 751 I HN 0.480 nan 8.210 nan 0.000 0.409 752 D N -0.402 120.085 120.400 0.146 0.000 2.458 752 D HA 0.003 4.643 4.640 0.000 0.000 0.243 752 D C 0.596 177.008 176.300 0.185 0.000 1.146 752 D CA 0.639 54.721 54.000 0.136 0.000 0.877 752 D CB 0.358 41.253 40.800 0.158 0.000 1.176 752 D HN 0.368 nan 8.370 nan 0.000 0.461 753 T N -0.465 114.038 114.554 -0.086 0.000 3.215 753 T HA 0.326 4.676 4.350 0.000 0.000 0.271 753 T C 1.615 175.922 174.700 -0.655 0.000 1.012 753 T CA -0.258 61.623 62.100 -0.365 0.000 0.899 753 T CB 0.298 68.944 68.868 -0.369 0.000 1.089 753 T HN 0.467 nan 8.240 nan 0.000 0.552 754 G N 1.615 110.235 108.800 -0.300 0.000 2.422 754 G HA2 -0.103 3.857 3.960 0.000 0.000 0.218 754 G HA3 -0.103 3.857 3.960 0.000 0.000 0.218 754 G C 1.428 176.233 174.900 -0.158 0.000 1.140 754 G CA 0.534 45.583 45.100 -0.086 0.000 0.775 754 G HN 0.771 nan 8.290 nan 0.000 0.545 755 W N 0.858 122.039 121.300 -0.198 0.000 2.359 755 W HA -0.029 4.631 4.660 0.000 0.000 0.275 755 W C 1.412 177.532 176.519 -0.665 0.000 1.217 755 W CA 0.189 57.105 57.345 -0.715 0.000 1.196 755 W CB -1.158 28.076 29.460 -0.376 0.000 1.129 755 W HN 0.124 nan 8.180 nan 0.000 0.566 756 L N 1.940 122.560 121.223 -1.004 0.000 2.042 756 L HA -0.254 4.086 4.340 0.000 0.000 0.210 756 L C 2.507 179.170 176.870 -0.345 0.000 1.076 756 L CA 2.360 56.757 54.840 -0.739 0.000 0.749 756 L CB -1.245 40.378 42.059 -0.727 0.000 0.893 756 L HN -0.111 nan 8.230 nan 0.000 0.432 757 D N -0.460 119.793 120.400 -0.245 0.000 2.108 757 D HA -0.235 4.405 4.640 0.000 0.000 0.190 757 D C 1.351 177.665 176.300 0.024 0.000 0.995 757 D CA 1.810 55.778 54.000 -0.053 0.000 0.834 757 D CB -0.549 40.296 40.800 0.075 0.000 0.967 757 D HN 0.586 nan 8.370 nan 0.000 0.446 758 Y N 0.824 121.157 120.300 0.055 0.000 2.994 758 Y HA 0.465 5.015 4.550 0.000 0.000 0.393 758 Y C 0.284 176.245 175.900 0.101 0.000 1.118 758 Y CA -0.941 57.201 58.100 0.070 0.000 1.906 758 Y CB -0.711 37.795 38.460 0.078 0.000 1.925 758 Y HN -0.168 nan 8.280 nan 0.000 0.446 759 L N 0.000 121.245 121.223 0.037 0.000 2.949 759 L HA 0.000 4.340 4.340 0.000 0.000 0.249 759 L CA 0.000 54.880 54.840 0.066 0.000 0.813 759 L CB 0.000 42.089 42.059 0.049 0.000 0.961 759 L HN 0.000 nan 8.230 nan 0.000 0.502