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 1r5o_1_A DATA FIRST_RESID 215 DATA SEQUENCE TEDATDLQNE VDQELLKDMY GKEHVNIVFI GHVDAGKSTL GGNILFLTGM DATA SEQUENCE VDKRTMEKIE REAKEXXXXX XXXXXXXXXX XXXXXXXXXX XXXRAYFETE DATA SEQUENCE HRRFSLLDAP XXXXXXXXXX XGASQADIGV LVISARRGEF EAGFERGGQT DATA SEQUENCE REHAVLARTQ GINHLVVVIN KMDEPSVQWS EERYKECVDK LSMFLRRVAG DATA SEQUENCE YNSKTDVKYM PVSAYTGQNV KDRVDSSVCP WYQGPSLLEY LDSMTHLERK DATA SEQUENCE VNAPFIMPIA SKYKDLGTIL EGKIEAGSIK KNSNVLVMPI NQTLEVTAIY DATA SEQUENCE DEADEEISSS ICGDQVRLRV RGDDSDVQTG YVLTSTKNPV HATTRFIAQI DATA SEQUENCE AILELPSILT TGYSCVMHIH TAVEEVSFAK LLHKLDKTNR KSKKPPMFAT DATA SEQUENCE KGMKIIAELE TQTPVCMERF EDYQYMGRFT LRDQGTTVAV GKVVKILD 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 215 T HA 0.000 nan 4.350 nan 0.000 0.228 215 T C 0.000 174.747 174.700 0.078 0.000 1.109 215 T CA 0.000 62.134 62.100 0.056 0.000 1.349 215 T CB 0.000 68.912 68.868 0.073 0.000 0.612 216 E N 0.857 121.098 120.200 0.069 0.000 2.151 216 E HA 0.645 4.994 4.350 -0.000 0.000 0.197 216 E C -1.829 174.800 176.600 0.049 0.000 1.085 216 E CA -1.000 55.450 56.400 0.084 0.000 0.873 216 E CB 1.088 30.882 29.700 0.157 0.000 2.021 216 E HN 0.346 nan 8.360 nan 0.000 0.468 217 D N -0.354 120.081 120.400 0.058 0.000 2.812 217 D HA 0.549 5.189 4.640 -0.000 0.000 0.210 217 D C -1.884 174.447 176.300 0.051 0.000 1.260 217 D CA -0.465 53.560 54.000 0.043 0.000 0.817 217 D CB 1.467 42.286 40.800 0.031 0.000 1.694 217 D HN 0.610 nan 8.370 nan 0.000 0.530 218 A N 1.890 124.733 122.820 0.039 0.000 2.387 218 A HA 0.922 5.242 4.320 -0.000 0.000 0.303 218 A C -0.129 177.466 177.584 0.018 0.000 1.145 218 A CA -0.099 51.960 52.037 0.035 0.000 0.801 218 A CB 1.206 20.225 19.000 0.031 0.000 1.342 218 A HN 1.622 nan 8.150 nan 0.000 0.440 219 T N 0.448 115.013 114.554 0.017 0.000 2.481 219 T HA -0.156 4.194 4.350 -0.000 0.000 0.509 219 T C 0.167 174.850 174.700 -0.028 0.000 0.816 219 T CA 0.932 63.029 62.100 -0.004 0.000 2.695 219 T CB -1.769 67.087 68.868 -0.019 0.000 1.693 219 T HN 1.105 nan 8.240 nan 0.000 0.491 220 D N 2.851 123.250 120.400 -0.001 0.000 2.130 220 D HA 0.009 4.649 4.640 -0.000 0.000 0.292 220 D C 1.326 177.587 176.300 -0.064 0.000 1.146 220 D CA -0.143 53.853 54.000 -0.007 0.000 0.883 220 D CB 0.165 41.008 40.800 0.071 0.000 0.936 220 D HN 0.432 nan 8.370 nan 0.000 0.298 221 L N 1.144 122.346 121.223 -0.036 0.000 2.928 221 L HA 0.184 4.524 4.340 -0.000 0.000 0.236 221 L C 1.512 178.358 176.870 -0.040 0.000 1.290 221 L CA 0.346 55.152 54.840 -0.057 0.000 1.099 221 L CB -0.433 41.576 42.059 -0.084 0.000 1.437 221 L HN 0.299 nan 8.230 nan 0.000 0.493 222 Q N 0.114 119.905 119.800 -0.015 0.000 2.425 222 Q HA -0.062 4.278 4.340 -0.000 0.000 0.204 222 Q C 1.096 177.094 176.000 -0.003 0.000 0.933 222 Q CA 0.467 56.275 55.803 0.008 0.000 0.939 222 Q CB 0.016 28.769 28.738 0.025 0.000 1.044 222 Q HN 0.585 nan 8.270 nan 0.000 0.513 223 N N 0.169 118.852 118.700 -0.027 0.000 2.434 223 N HA -0.079 4.661 4.740 -0.000 0.000 0.196 223 N C 0.833 176.341 175.510 -0.003 0.000 1.183 223 N CA 0.232 53.267 53.050 -0.025 0.000 0.849 223 N CB 0.201 38.651 38.487 -0.061 0.000 0.992 223 N HN 0.020 nan 8.380 nan 0.000 0.460 224 E N 0.378 120.584 120.200 0.011 0.000 2.526 224 E HA -0.032 4.318 4.350 -0.000 0.000 0.198 224 E C 0.166 176.787 176.600 0.036 0.000 1.091 224 E CA 0.117 56.539 56.400 0.037 0.000 0.880 224 E CB -0.103 29.635 29.700 0.064 0.000 0.873 224 E HN 0.529 nan 8.360 nan 0.000 0.527 225 V N 0.523 120.452 119.914 0.025 0.000 2.358 225 V HA 0.014 4.134 4.120 -0.000 0.000 0.234 225 V C -0.056 176.049 176.094 0.019 0.000 1.239 225 V CA 0.056 62.371 62.300 0.024 0.000 1.343 225 V CB -0.868 30.967 31.823 0.019 0.000 1.377 225 V HN -0.130 nan 8.190 nan 0.000 0.487 226 D N 2.136 122.547 120.400 0.019 0.000 2.566 226 D HA 0.411 5.051 4.640 -0.000 0.000 0.254 226 D C -0.237 176.066 176.300 0.005 0.000 1.090 226 D CA -0.831 53.174 54.000 0.008 0.000 1.034 226 D CB 1.909 42.707 40.800 -0.003 0.000 1.434 226 D HN 0.560 nan 8.370 nan 0.000 0.509 227 Q N 0.612 120.411 119.800 -0.003 0.000 2.333 227 Q HA 0.002 4.342 4.340 -0.000 0.000 0.299 227 Q C -0.371 175.625 176.000 -0.007 0.000 1.067 227 Q CA 0.679 56.480 55.803 -0.003 0.000 0.943 227 Q CB 0.548 29.281 28.738 -0.009 0.000 1.233 227 Q HN 0.258 nan 8.270 nan 0.000 0.401 228 E N 4.342 124.544 120.200 0.003 0.000 2.773 228 E HA 0.012 4.362 4.350 -0.000 0.000 0.302 228 E C -0.287 176.309 176.600 -0.007 0.000 1.574 228 E CA 0.034 56.438 56.400 0.008 0.000 1.775 228 E CB -0.311 29.402 29.700 0.022 0.000 1.413 228 E HN 0.451 nan 8.360 nan 0.000 0.471 229 L N 0.319 121.523 121.223 -0.031 0.000 2.818 229 L HA 0.157 4.496 4.340 -0.000 0.000 0.243 229 L C 1.325 178.129 176.870 -0.109 0.000 1.185 229 L CA 0.328 55.136 54.840 -0.054 0.000 0.988 229 L CB -0.033 41.993 42.059 -0.056 0.000 1.292 229 L HN 0.204 nan 8.230 nan 0.000 0.519 230 L N -0.528 120.635 121.223 -0.099 0.000 1.990 230 L HA -0.221 4.119 4.340 -0.000 0.000 0.213 230 L C 0.975 177.774 176.870 -0.119 0.000 1.072 230 L CA 1.235 55.978 54.840 -0.162 0.000 0.755 230 L CB -0.688 41.380 42.059 0.015 0.000 0.889 230 L HN 0.165 nan 8.230 nan 0.000 0.432 231 K N 1.286 121.686 120.400 -0.000 0.000 2.361 231 K HA -0.011 4.309 4.320 -0.000 0.000 0.283 231 K C -0.514 176.077 176.600 -0.016 0.000 1.078 231 K CA 0.254 56.562 56.287 0.035 0.000 1.041 231 K CB 0.673 33.202 32.500 0.050 0.000 0.932 231 K HN 0.211 nan 8.250 nan 0.000 0.462 232 D N 0.647 121.031 120.400 -0.025 0.000 1.517 232 D HA -0.098 4.542 4.640 -0.000 0.000 0.477 232 D C 0.884 177.148 176.300 -0.060 0.000 1.281 232 D CA 0.097 54.069 54.000 -0.046 0.000 0.605 232 D CB -0.546 40.204 40.800 -0.084 0.000 3.220 232 D HN 0.367 nan 8.370 nan 0.000 0.200 233 M N -0.145 119.369 119.600 -0.144 0.000 2.191 233 M HA 0.113 4.593 4.480 -0.000 0.000 0.262 233 M C 0.254 176.500 176.300 -0.089 0.000 1.083 233 M CA 0.896 56.095 55.300 -0.169 0.000 1.154 233 M CB 0.144 32.551 32.600 -0.322 0.000 1.344 233 M HN 0.023 nan 8.290 nan 0.000 0.431 234 Y N 1.980 122.127 120.300 -0.254 0.000 2.518 234 Y HA 0.113 4.663 4.550 -0.000 0.000 0.337 234 Y C 1.244 177.187 175.900 0.072 0.000 1.261 234 Y CA -1.032 56.932 58.100 -0.226 0.000 1.856 234 Y CB -1.176 37.206 38.460 -0.131 0.000 1.798 234 Y HN 0.276 nan 8.280 nan 0.000 0.440 235 G N 2.841 111.820 108.800 0.297 0.000 2.785 235 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.256 235 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.256 235 G C -0.168 174.874 174.900 0.237 0.000 1.248 235 G CA -0.570 44.670 45.100 0.235 0.000 0.914 235 G HN 0.486 nan 8.290 nan 0.000 0.580 236 K N -0.351 120.146 120.400 0.161 0.000 2.168 236 K HA 0.147 4.467 4.320 -0.000 0.000 0.258 236 K C 0.476 177.138 176.600 0.103 0.000 1.010 236 K CA -0.190 56.165 56.287 0.113 0.000 0.929 236 K CB 0.834 33.362 32.500 0.046 0.000 0.998 236 K HN 0.614 nan 8.250 nan 0.000 0.479 237 E N 1.841 122.049 120.200 0.014 0.000 2.324 237 E HA -0.026 4.324 4.350 -0.000 0.000 0.271 237 E C -0.969 175.594 176.600 -0.062 0.000 1.028 237 E CA -0.429 55.936 56.400 -0.058 0.000 0.890 237 E CB 0.424 30.050 29.700 -0.124 0.000 1.004 237 E HN 0.350 nan 8.360 nan 0.000 0.431 238 H N 2.373 121.281 119.070 -0.270 0.000 2.690 238 H HA 0.281 4.837 4.556 -0.000 0.000 0.314 238 H C -0.564 174.580 175.328 -0.307 0.000 1.069 238 H CA -0.308 55.564 56.048 -0.294 0.000 1.436 238 H CB 0.878 30.499 29.762 -0.235 0.000 1.462 238 H HN 0.146 nan 8.280 nan 0.000 0.511 239 V N 3.726 123.449 119.914 -0.318 0.000 2.789 239 V HA 0.319 4.438 4.120 -0.000 0.000 0.311 239 V C -0.099 175.906 176.094 -0.148 0.000 1.073 239 V CA -1.162 60.980 62.300 -0.264 0.000 0.921 239 V CB 2.233 33.793 31.823 -0.439 0.000 1.009 239 V HN 0.799 nan 8.190 nan 0.000 0.426 240 N N 2.911 121.586 118.700 -0.041 0.000 2.424 240 N HA 0.731 5.471 4.740 -0.000 0.000 0.271 240 N C -1.061 174.492 175.510 0.072 0.000 0.985 240 N CA -0.447 52.612 53.050 0.015 0.000 0.921 240 N CB 2.400 40.891 38.487 0.008 0.000 1.149 240 N HN 0.710 nan 8.380 nan 0.000 0.492 241 I N 2.192 122.829 120.570 0.112 0.000 2.608 241 I HA 0.569 4.739 4.170 -0.000 0.000 0.295 241 I C -1.440 174.694 176.117 0.028 0.000 1.049 241 I CA -0.926 60.414 61.300 0.068 0.000 1.063 241 I CB 1.773 39.845 38.000 0.119 0.000 1.248 241 I HN 0.232 nan 8.210 nan 0.000 0.424 242 V N 7.190 127.039 119.914 -0.108 0.000 2.686 242 V HA 0.551 4.671 4.120 -0.000 0.000 0.306 242 V C -1.635 174.345 176.094 -0.190 0.000 1.065 242 V CA -0.356 61.930 62.300 -0.023 0.000 0.894 242 V CB 1.898 33.739 31.823 0.030 0.000 1.004 242 V HN 0.588 nan 8.190 nan 0.000 0.424 243 F N 6.790 126.750 119.950 0.016 0.000 2.391 243 F HA 0.598 5.125 4.527 -0.000 0.000 0.359 243 F C 0.400 176.153 175.800 -0.078 0.000 1.122 243 F CA -0.558 57.423 58.000 -0.032 0.000 1.120 243 F CB 1.262 40.241 39.000 -0.034 0.000 1.142 243 F HN 0.266 nan 8.300 nan 0.000 0.483 244 I N 3.105 123.669 120.570 -0.010 0.000 2.339 244 I HA 0.687 4.857 4.170 -0.000 0.000 0.290 244 I C 0.449 176.384 176.117 -0.303 0.000 0.994 244 I CA -0.128 61.094 61.300 -0.130 0.000 1.191 244 I CB 1.215 39.144 38.000 -0.117 0.000 1.343 244 I HN 0.746 nan 8.210 nan 0.000 0.458 245 G N 4.673 113.195 108.800 -0.464 0.000 2.663 245 G HA2 0.454 4.414 3.960 -0.000 0.000 0.299 245 G HA3 0.454 4.414 3.960 -0.000 0.000 0.299 245 G C -1.064 173.480 174.900 -0.593 0.000 1.372 245 G CA -0.576 44.121 45.100 -0.672 0.000 0.781 245 G HN 0.502 nan 8.290 nan 0.000 0.491 246 H N -0.883 118.121 119.070 -0.111 0.000 2.437 246 H HA 0.356 4.912 4.556 -0.000 0.000 0.338 246 H C 1.121 176.475 175.328 0.044 0.000 1.495 246 H CA -0.108 55.995 56.048 0.093 0.000 1.453 246 H CB 0.844 30.678 29.762 0.119 0.000 1.707 246 H HN 0.524 nan 8.280 nan 0.000 0.655 247 V N -0.656 119.377 119.914 0.199 0.000 3.164 247 V HA 0.168 4.288 4.120 -0.000 0.000 0.388 247 V C 0.021 176.163 176.094 0.081 0.000 1.279 247 V CA 0.540 62.901 62.300 0.102 0.000 1.426 247 V CB -1.296 30.576 31.823 0.083 0.000 1.330 247 V HN 0.940 nan 8.190 nan 0.000 0.511 248 D N -0.916 119.537 120.400 0.088 0.000 4.318 248 D HA -0.053 4.587 4.640 -0.000 0.000 0.187 248 D C 0.966 177.322 176.300 0.093 0.000 0.460 248 D CA 0.490 54.536 54.000 0.076 0.000 0.635 248 D CB -0.575 40.272 40.800 0.078 0.000 1.653 248 D HN 0.497 nan 8.370 nan 0.000 0.093 249 A N 1.427 124.297 122.820 0.083 0.000 1.930 249 A HA 0.466 4.786 4.320 -0.000 0.000 0.217 249 A C 2.118 179.708 177.584 0.011 0.000 1.175 249 A CA 2.583 54.650 52.037 0.050 0.000 0.627 249 A CB -0.682 18.183 19.000 -0.224 0.000 0.815 249 A HN 1.349 nan 8.150 nan 0.000 0.443 250 G N -0.976 107.816 108.800 -0.013 0.000 2.148 250 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.203 250 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.203 250 G C 0.853 175.716 174.900 -0.062 0.000 0.993 250 G CA 0.995 46.082 45.100 -0.022 0.000 0.661 250 G HN 0.663 nan 8.290 nan 0.000 0.518 251 K N 0.687 121.038 120.400 -0.082 0.000 2.113 251 K HA -0.073 4.247 4.320 -0.000 0.000 0.208 251 K C 2.483 178.969 176.600 -0.190 0.000 1.047 251 K CA 2.423 58.641 56.287 -0.115 0.000 0.928 251 K CB -0.271 32.171 32.500 -0.097 0.000 0.716 251 K HN 0.406 nan 8.250 nan 0.000 0.446 252 S N -0.788 114.833 115.700 -0.131 0.000 2.387 252 S HA -0.098 4.372 4.470 -0.000 0.000 0.221 252 S C 2.022 176.543 174.600 -0.132 0.000 1.041 252 S CA 1.497 59.614 58.200 -0.137 0.000 0.959 252 S CB -0.492 62.661 63.200 -0.078 0.000 0.843 252 S HN 0.603 nan 8.310 nan 0.000 0.488 253 T N 1.411 115.916 114.554 -0.081 0.000 2.746 253 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 253 T C 1.842 176.487 174.700 -0.092 0.000 1.039 253 T CA 1.611 63.679 62.100 -0.053 0.000 1.142 253 T CB -0.658 68.220 68.868 0.017 0.000 0.866 253 T HN 0.296 nan 8.240 nan 0.000 0.444 254 L N 1.355 122.506 121.223 -0.121 0.000 2.012 254 L HA 0.161 4.501 4.340 -0.000 0.000 0.210 254 L C 2.615 179.313 176.870 -0.287 0.000 1.073 254 L CA 2.440 57.184 54.840 -0.161 0.000 0.748 254 L CB -1.354 40.624 42.059 -0.135 0.000 0.891 254 L HN 0.393 nan 8.230 nan 0.000 0.431 255 G N -0.921 107.626 108.800 -0.421 0.000 2.587 255 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 255 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 255 G C 1.537 176.270 174.900 -0.278 0.000 1.240 255 G CA 0.710 45.510 45.100 -0.500 0.000 0.794 255 G HN 0.612 nan 8.290 nan 0.000 0.580 256 G N 0.613 109.305 108.800 -0.180 0.000 2.475 256 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.220 256 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.220 256 G C 1.713 176.578 174.900 -0.059 0.000 1.125 256 G CA 1.422 46.464 45.100 -0.098 0.000 0.755 256 G HN 0.534 nan 8.290 nan 0.000 0.565 257 N N 0.062 118.712 118.700 -0.084 0.000 2.216 257 N HA 0.047 4.787 4.740 -0.000 0.000 0.183 257 N C 2.172 177.628 175.510 -0.090 0.000 1.017 257 N CA 0.624 53.653 53.050 -0.035 0.000 0.861 257 N CB -0.154 38.301 38.487 -0.053 0.000 0.986 257 N HN 0.366 nan 8.380 nan 0.000 0.428 258 I N 0.198 120.646 120.570 -0.204 0.000 2.179 258 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 258 I C 1.944 177.907 176.117 -0.258 0.000 1.088 258 I CA 0.791 61.896 61.300 -0.325 0.000 1.357 258 I CB -0.212 37.431 38.000 -0.595 0.000 1.051 258 I HN 0.201 nan 8.210 nan 0.000 0.409 259 L N -0.325 120.797 121.223 -0.169 0.000 1.989 259 L HA -0.264 4.076 4.340 -0.000 0.000 0.211 259 L C 2.587 179.459 176.870 0.004 0.000 1.071 259 L CA 1.572 56.385 54.840 -0.046 0.000 0.749 259 L CB -0.730 41.322 42.059 -0.012 0.000 0.890 259 L HN 0.229 nan 8.230 nan 0.000 0.431 260 F N 0.750 120.647 119.950 -0.087 0.000 2.026 260 F HA -0.247 4.280 4.527 -0.000 0.000 0.296 260 F C 2.273 178.035 175.800 -0.063 0.000 1.133 260 F CA 1.507 59.464 58.000 -0.071 0.000 1.188 260 F CB -0.737 38.217 39.000 -0.078 0.000 0.968 260 F HN -0.146 nan 8.300 nan 0.000 0.476 261 L N -0.312 120.560 121.223 -0.585 0.000 2.197 261 L HA -0.268 4.072 4.340 -0.000 0.000 0.215 261 L C 2.021 178.646 176.870 -0.408 0.000 1.095 261 L CA 1.968 56.431 54.840 -0.630 0.000 0.764 261 L CB -0.680 41.194 42.059 -0.308 0.000 0.897 261 L HN 0.340 nan 8.230 nan 0.000 0.436 262 T N -1.460 112.940 114.554 -0.257 0.000 3.186 262 T HA 0.244 4.594 4.350 -0.000 0.000 0.257 262 T C 1.171 175.830 174.700 -0.069 0.000 1.029 262 T CA 0.598 62.630 62.100 -0.113 0.000 0.916 262 T CB -0.066 68.787 68.868 -0.025 0.000 1.041 262 T HN 0.609 nan 8.240 nan 0.000 0.562 263 G N 1.470 110.192 108.800 -0.130 0.000 2.196 263 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.268 263 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.268 263 G C 0.847 175.747 174.900 -0.000 0.000 0.975 263 G CA 0.905 45.973 45.100 -0.053 0.000 0.648 263 G HN 0.466 nan 8.290 nan 0.000 0.538 264 M N -0.212 119.390 119.600 0.004 0.000 2.123 264 M HA 0.288 4.768 4.480 -0.000 0.000 0.263 264 M C 1.531 177.833 176.300 0.004 0.000 1.069 264 M CA 1.971 57.267 55.300 -0.007 0.000 1.133 264 M CB -0.138 32.453 32.600 -0.014 0.000 1.356 264 M HN 0.911 nan 8.290 nan 0.000 0.415 265 V N -2.589 117.359 119.914 0.057 0.000 3.078 265 V HA 0.624 4.744 4.120 -0.000 0.000 0.311 265 V C -0.808 175.396 176.094 0.184 0.000 1.138 265 V CA -1.503 60.843 62.300 0.077 0.000 1.007 265 V CB 1.532 33.379 31.823 0.039 0.000 1.045 265 V HN 0.332 nan 8.190 nan 0.000 0.432 266 D N 1.173 121.632 120.400 0.097 0.000 2.398 266 D HA 0.184 4.824 4.640 -0.000 0.000 0.264 266 D C 0.984 177.183 176.300 -0.167 0.000 1.263 266 D CA 0.150 54.185 54.000 0.058 0.000 1.037 266 D CB 0.720 41.516 40.800 -0.007 0.000 1.101 266 D HN 0.744 nan 8.370 nan 0.000 0.551 267 K N -0.790 119.371 120.400 -0.398 0.000 2.031 267 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 267 K C 2.261 178.680 176.600 -0.303 0.000 1.049 267 K CA 0.548 56.478 56.287 -0.595 0.000 0.939 267 K CB -0.037 32.139 32.500 -0.540 0.000 0.717 267 K HN 0.304 nan 8.250 nan 0.000 0.438 268 R N -0.009 120.376 120.500 -0.191 0.000 2.105 268 R HA -0.113 4.227 4.340 -0.000 0.000 0.239 268 R C 1.961 178.204 176.300 -0.094 0.000 1.135 268 R CA 2.131 58.159 56.100 -0.120 0.000 0.967 268 R CB -0.217 30.032 30.300 -0.084 0.000 0.861 268 R HN 0.310 nan 8.270 nan 0.000 0.442 269 T N 1.054 115.559 114.554 -0.083 0.000 2.668 269 T HA -0.199 4.151 4.350 -0.000 0.000 0.262 269 T C 1.707 176.371 174.700 -0.061 0.000 1.045 269 T CA 1.482 63.549 62.100 -0.055 0.000 1.152 269 T CB -0.263 68.585 68.868 -0.033 0.000 0.864 269 T HN 0.310 nan 8.240 nan 0.000 0.419 270 M N 1.510 121.065 119.600 -0.077 0.000 2.088 270 M HA -0.237 4.242 4.480 -0.000 0.000 0.256 270 M C 2.183 178.433 176.300 -0.084 0.000 1.071 270 M CA 1.955 57.212 55.300 -0.072 0.000 1.097 270 M CB -0.347 32.195 32.600 -0.098 0.000 1.315 270 M HN 0.199 nan 8.290 nan 0.000 0.406 271 E N 0.224 120.355 120.200 -0.115 0.000 2.171 271 E HA -0.276 4.074 4.350 -0.000 0.000 0.197 271 E C 1.933 178.498 176.600 -0.058 0.000 0.997 271 E CA 1.720 58.065 56.400 -0.091 0.000 0.810 271 E CB -0.284 29.353 29.700 -0.105 0.000 0.738 271 E HN 0.622 nan 8.360 nan 0.000 0.467 272 K N 1.373 121.740 120.400 -0.055 0.000 1.973 272 K HA -0.162 4.158 4.320 -0.000 0.000 0.212 272 K C 2.123 178.703 176.600 -0.032 0.000 1.047 272 K CA 1.280 57.544 56.287 -0.038 0.000 0.937 272 K CB -0.235 32.245 32.500 -0.035 0.000 0.721 272 K HN -0.025 nan 8.250 nan 0.000 0.440 273 I N 1.422 121.971 120.570 -0.035 0.000 2.151 273 I HA -0.327 3.843 4.170 -0.000 0.000 0.243 273 I C 2.597 178.694 176.117 -0.033 0.000 1.080 273 I CA 1.805 63.085 61.300 -0.034 0.000 1.339 273 I CB -0.384 37.592 38.000 -0.040 0.000 1.039 273 I HN 0.459 nan 8.210 nan 0.000 0.409 274 E N 1.118 121.297 120.200 -0.035 0.000 2.114 274 E HA -0.312 4.038 4.350 -0.000 0.000 0.199 274 E C 2.221 178.814 176.600 -0.012 0.000 1.008 274 E CA 2.047 58.434 56.400 -0.022 0.000 0.810 274 E CB -0.009 29.681 29.700 -0.017 0.000 0.739 274 E HN 0.557 nan 8.360 nan 0.000 0.456 275 R N -0.505 119.986 120.500 -0.014 0.000 2.223 275 R HA 0.088 4.428 4.340 -0.000 0.000 0.198 275 R C 1.401 177.695 176.300 -0.010 0.000 0.984 275 R CA 0.518 56.612 56.100 -0.009 0.000 1.018 275 R CB 0.037 30.332 30.300 -0.009 0.000 0.945 275 R HN 0.006 nan 8.270 nan 0.000 0.479 276 E N 1.641 121.833 120.200 -0.014 0.000 2.511 276 E HA 0.041 4.391 4.350 -0.000 0.000 0.196 276 E C 0.008 176.603 176.600 -0.010 0.000 1.066 276 E CA 0.459 56.853 56.400 -0.011 0.000 0.871 276 E CB 0.501 30.193 29.700 -0.012 0.000 0.863 276 E HN 0.417 nan 8.360 nan 0.000 0.520 277 A N 2.443 125.256 122.820 -0.011 0.000 2.915 277 A HA 0.171 4.491 4.320 -0.000 0.000 0.292 277 A C 0.235 177.817 177.584 -0.003 0.000 1.632 277 A CA 0.005 52.037 52.037 -0.009 0.000 1.337 277 A CB -0.160 18.832 19.000 -0.014 0.000 1.111 277 A HN -0.077 nan 8.150 nan 0.000 0.569 278 K N 2.449 122.849 120.400 -0.000 0.000 2.545 278 K HA 0.177 4.497 4.320 -0.000 0.000 0.291 278 K C -1.427 175.175 176.600 0.004 0.000 1.093 278 K CA -0.025 56.263 56.287 0.002 0.000 1.012 278 K CB 0.720 33.220 32.500 0.001 0.000 1.354 278 K HN 0.587 nan 8.250 nan 0.000 0.460 309 A N 2.882 125.768 122.820 0.111 0.000 2.475 309 A HA 0.449 4.769 4.320 -0.000 0.000 0.239 309 A C -0.848 176.859 177.584 0.206 0.000 1.087 309 A CA 0.773 52.864 52.037 0.090 0.000 0.779 309 A CB 0.030 19.073 19.000 0.072 0.000 1.036 309 A HN 0.912 nan 8.150 nan 0.000 0.506 310 Y N -2.279 118.083 120.300 0.103 0.000 2.702 310 Y HA 0.611 5.161 4.550 -0.000 0.000 0.336 310 Y C -1.064 174.945 175.900 0.182 0.000 1.203 310 Y CA -2.019 56.126 58.100 0.074 0.000 1.072 310 Y CB 0.349 38.774 38.460 -0.058 0.000 1.327 310 Y HN 0.998 nan 8.280 nan 0.000 0.456 311 F N -0.783 119.396 119.950 0.383 0.000 2.691 311 F HA 0.938 5.464 4.527 -0.000 0.000 0.334 311 F C -0.944 175.096 175.800 0.399 0.000 1.107 311 F CA -1.219 56.943 58.000 0.270 0.000 0.991 311 F CB 1.962 41.052 39.000 0.150 0.000 1.400 311 F HN 0.617 nan 8.300 nan 0.000 0.503 312 E N -0.492 120.012 120.200 0.506 0.000 2.392 312 E HA 0.740 5.090 4.350 -0.000 0.000 0.269 312 E C -1.504 175.323 176.600 0.378 0.000 0.924 312 E CA -1.090 55.516 56.400 0.345 0.000 0.784 312 E CB 2.824 32.658 29.700 0.222 0.000 1.292 312 E HN 0.810 nan 8.360 nan 0.000 0.447 313 T N -0.344 114.373 114.554 0.273 0.000 2.802 313 T HA 0.074 4.424 4.350 -0.000 0.000 0.311 313 T C 0.626 175.358 174.700 0.053 0.000 1.405 313 T CA -0.841 61.390 62.100 0.218 0.000 1.016 313 T CB 1.619 70.720 68.868 0.389 0.000 1.352 313 T HN 0.597 nan 8.240 nan 0.000 0.498 314 E N -0.041 120.108 120.200 -0.084 0.000 2.136 314 E HA -0.283 4.067 4.350 -0.000 0.000 0.202 314 E C 0.756 177.081 176.600 -0.458 0.000 1.019 314 E CA 1.813 57.994 56.400 -0.364 0.000 0.819 314 E CB 0.006 29.315 29.700 -0.652 0.000 0.739 314 E HN 0.583 nan 8.360 nan 0.000 0.458 315 H N -1.819 117.298 119.070 0.078 0.000 3.058 315 H HA 0.370 4.926 4.556 -0.000 0.000 0.266 315 H C 0.092 175.406 175.328 -0.024 0.000 1.135 315 H CA -0.051 56.022 56.048 0.041 0.000 1.174 315 H CB 0.868 30.655 29.762 0.041 0.000 1.581 315 H HN -0.055 nan 8.280 nan 0.000 0.553 316 R N 0.853 121.359 120.500 0.010 0.000 2.698 316 R HA 0.415 4.755 4.340 -0.000 0.000 0.275 316 R C -0.574 175.531 176.300 -0.326 0.000 1.001 316 R CA -0.745 55.203 56.100 -0.253 0.000 0.896 316 R CB 2.890 32.856 30.300 -0.557 0.000 1.218 316 R HN 0.013 nan 8.270 nan 0.000 0.462 317 R N 2.667 122.888 120.500 -0.464 0.000 2.387 317 R HA 0.346 4.686 4.340 -0.000 0.000 0.314 317 R C -1.335 174.548 176.300 -0.694 0.000 0.958 317 R CA -0.351 55.470 56.100 -0.466 0.000 0.846 317 R CB 0.711 30.682 30.300 -0.548 0.000 1.147 317 R HN 0.432 nan 8.270 nan 0.000 0.447 318 F N 3.049 122.681 119.950 -0.530 0.000 2.293 318 F HA 0.222 4.749 4.527 -0.000 0.000 0.370 318 F C 0.697 176.229 175.800 -0.446 0.000 1.090 318 F CA -0.470 57.158 58.000 -0.620 0.000 1.133 318 F CB 1.692 39.959 39.000 -1.222 0.000 1.360 318 F HN 0.452 nan 8.300 nan 0.000 0.489 319 S N 3.731 119.356 115.700 -0.126 0.000 2.549 319 S HA 0.401 4.871 4.470 -0.000 0.000 0.283 319 S C -0.449 174.221 174.600 0.116 0.000 1.320 319 S CA -0.538 57.669 58.200 0.011 0.000 1.058 319 S CB 0.210 63.384 63.200 -0.043 0.000 0.882 319 S HN 0.431 nan 8.310 nan 0.000 0.498 320 L N 5.804 127.143 121.223 0.193 0.000 2.282 320 L HA 0.499 4.839 4.340 -0.000 0.000 0.288 320 L C 0.210 177.187 176.870 0.178 0.000 1.033 320 L CA -0.038 54.956 54.840 0.256 0.000 0.807 320 L CB 1.152 43.405 42.059 0.324 0.000 1.209 320 L HN 0.628 nan 8.230 nan 0.000 0.423 321 L N 1.022 122.344 121.223 0.164 0.000 2.492 321 L HA 0.629 4.969 4.340 -0.000 0.000 0.263 321 L C -0.248 176.696 176.870 0.123 0.000 1.062 321 L CA -0.966 53.943 54.840 0.116 0.000 0.817 321 L CB 0.861 42.971 42.059 0.085 0.000 1.441 321 L HN 0.462 nan 8.230 nan 0.000 0.493 322 D N -1.425 119.029 120.400 0.089 0.000 2.509 322 D HA 0.656 5.296 4.640 -0.000 0.000 0.275 322 D C 0.342 176.684 176.300 0.070 0.000 1.189 322 D CA 0.079 54.126 54.000 0.079 0.000 1.098 322 D CB 0.992 41.828 40.800 0.061 0.000 1.177 322 D HN 0.578 nan 8.370 nan 0.000 0.599 323 A N -1.117 121.738 122.820 0.058 0.000 1.728 323 A HA 0.318 4.638 4.320 -0.000 0.000 0.202 323 A C -1.831 175.785 177.584 0.052 0.000 1.758 323 A CA -0.116 51.953 52.037 0.053 0.000 1.146 323 A CB -1.282 17.746 19.000 0.047 0.000 1.056 323 A HN 0.480 nan 8.150 nan 0.000 0.539 337 A N 0.160 122.970 122.820 -0.017 0.000 2.223 337 A HA 0.510 4.830 4.320 -0.000 0.000 0.222 337 A C 1.427 179.013 177.584 0.003 0.000 1.317 337 A CA 1.679 53.709 52.037 -0.012 0.000 0.985 337 A CB -0.618 18.372 19.000 -0.016 0.000 0.858 337 A HN 0.705 nan 8.150 nan 0.000 0.496 338 S N -1.214 114.491 115.700 0.008 0.000 2.603 338 S HA 0.137 4.607 4.470 -0.000 0.000 0.232 338 S C 0.502 175.115 174.600 0.023 0.000 1.016 338 S CA -0.191 58.020 58.200 0.018 0.000 0.976 338 S CB 0.149 63.360 63.200 0.018 0.000 0.921 338 S HN 0.749 nan 8.310 nan 0.000 0.516 339 Q N 1.849 121.660 119.800 0.018 0.000 2.293 339 Q HA 0.730 5.070 4.340 -0.000 0.000 0.261 339 Q C -0.434 175.582 176.000 0.025 0.000 0.960 339 Q CA -0.447 55.371 55.803 0.024 0.000 0.882 339 Q CB 1.265 30.015 28.738 0.020 0.000 1.275 339 Q HN 0.202 nan 8.270 nan 0.000 0.445 340 A N 3.126 125.967 122.820 0.036 0.000 2.332 340 A HA 0.322 4.642 4.320 -0.000 0.000 0.258 340 A C -0.252 177.359 177.584 0.045 0.000 1.087 340 A CA -0.227 51.834 52.037 0.039 0.000 0.802 340 A CB 0.347 19.371 19.000 0.039 0.000 1.042 340 A HN 0.943 nan 8.150 nan 0.000 0.489 341 D N -0.342 120.086 120.400 0.047 0.000 2.423 341 D HA 0.249 4.889 4.640 -0.000 0.000 0.208 341 D C -0.235 176.119 176.300 0.091 0.000 1.068 341 D CA 0.884 54.920 54.000 0.060 0.000 0.860 341 D CB 0.355 41.173 40.800 0.029 0.000 0.992 341 D HN 0.465 nan 8.370 nan 0.000 0.504 342 I N 0.173 120.786 120.570 0.073 0.000 2.571 342 I HA 0.448 4.618 4.170 -0.000 0.000 0.289 342 I C -0.218 175.893 176.117 -0.011 0.000 1.115 342 I CA -1.021 60.315 61.300 0.060 0.000 1.045 342 I CB 2.722 40.764 38.000 0.069 0.000 1.238 342 I HN -0.226 nan 8.210 nan 0.000 0.424 343 G N 5.161 113.953 108.800 -0.014 0.000 2.502 343 G HA2 0.599 4.559 3.960 -0.000 0.000 0.311 343 G HA3 0.599 4.559 3.960 -0.000 0.000 0.311 343 G C -0.895 173.929 174.900 -0.126 0.000 1.270 343 G CA -0.402 44.656 45.100 -0.069 0.000 0.948 343 G HN 0.324 nan 8.290 nan 0.000 0.487 344 V N 4.331 124.108 119.914 -0.227 0.000 2.275 344 V HA 0.230 4.350 4.120 -0.000 0.000 0.272 344 V C 0.049 176.059 176.094 -0.141 0.000 1.028 344 V CA -0.847 61.322 62.300 -0.217 0.000 0.810 344 V CB 0.905 32.496 31.823 -0.386 0.000 1.043 344 V HN 0.679 nan 8.190 nan 0.000 0.453 345 L N 6.734 127.885 121.223 -0.120 0.000 2.410 345 L HA 0.393 4.733 4.340 -0.000 0.000 0.273 345 L C -0.078 176.747 176.870 -0.074 0.000 1.144 345 L CA 0.682 55.459 54.840 -0.106 0.000 0.863 345 L CB 1.147 43.155 42.059 -0.086 0.000 1.140 345 L HN 0.412 nan 8.230 nan 0.000 0.463 346 V N 7.120 126.948 119.914 -0.143 0.000 2.347 346 V HA 0.455 4.575 4.120 -0.000 0.000 0.280 346 V C 0.278 176.262 176.094 -0.183 0.000 1.021 346 V CA -0.520 61.713 62.300 -0.112 0.000 0.847 346 V CB 1.135 32.898 31.823 -0.100 0.000 0.990 346 V HN 0.565 nan 8.190 nan 0.000 0.444 347 I N 3.233 123.868 120.570 0.107 0.000 2.693 347 I HA 0.486 4.656 4.170 -0.000 0.000 0.303 347 I C 0.203 176.496 176.117 0.293 0.000 1.025 347 I CA -0.289 61.258 61.300 0.412 0.000 1.086 347 I CB 2.302 40.575 38.000 0.456 0.000 1.268 347 I HN 0.619 nan 8.210 nan 0.000 0.440 348 S N 2.485 118.400 115.700 0.358 0.000 2.451 348 S HA 0.609 5.079 4.470 -0.000 0.000 0.301 348 S C 0.510 175.239 174.600 0.216 0.000 1.116 348 S CA -0.188 58.142 58.200 0.217 0.000 1.093 348 S CB 1.676 64.990 63.200 0.191 0.000 1.017 348 S HN 0.728 nan 8.310 nan 0.000 0.482 349 A N 4.506 127.358 122.820 0.054 0.000 2.147 349 A HA 0.271 4.590 4.320 -0.000 0.000 0.211 349 A C 1.260 178.813 177.584 -0.051 0.000 1.160 349 A CA -0.112 51.873 52.037 -0.088 0.000 0.781 349 A CB -0.242 18.672 19.000 -0.142 0.000 0.842 349 A HN 0.834 nan 8.150 nan 0.000 0.475 350 R N 1.299 121.798 120.500 -0.002 0.000 2.523 350 R HA -0.015 4.325 4.340 -0.000 0.000 0.281 350 R C -0.513 175.812 176.300 0.041 0.000 0.969 350 R CA 0.138 56.237 56.100 -0.001 0.000 1.093 350 R CB 0.158 30.460 30.300 0.002 0.000 0.917 350 R HN 0.431 nan 8.270 nan 0.000 0.408 351 R N 1.873 122.382 120.500 0.015 0.000 2.623 351 R HA 0.043 4.383 4.340 -0.000 0.000 0.271 351 R C 1.266 177.593 176.300 0.046 0.000 1.043 351 R CA 1.105 57.228 56.100 0.038 0.000 1.083 351 R CB 0.437 30.742 30.300 0.009 0.000 0.974 351 R HN 0.998 nan 8.270 nan 0.000 0.436 352 G N 1.796 110.632 108.800 0.060 0.000 4.677 352 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.215 352 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.215 352 G C 0.992 175.920 174.900 0.047 0.000 1.506 352 G CA 0.252 45.374 45.100 0.038 0.000 1.016 352 G HN 0.635 nan 8.290 nan 0.000 0.653 353 E N -0.012 120.224 120.200 0.061 0.000 2.038 353 E HA -0.034 4.316 4.350 -0.000 0.000 0.195 353 E C 2.130 178.776 176.600 0.077 0.000 1.000 353 E CA 1.509 57.943 56.400 0.057 0.000 0.803 353 E CB -0.173 29.573 29.700 0.076 0.000 0.750 353 E HN 0.469 nan 8.360 nan 0.000 0.448 354 F N 2.324 122.279 119.950 0.009 0.000 2.011 354 F HA -0.269 4.258 4.527 -0.000 0.000 0.296 354 F C 2.080 177.948 175.800 0.113 0.000 1.144 354 F CA 2.129 60.161 58.000 0.054 0.000 1.185 354 F CB -0.373 38.636 39.000 0.014 0.000 0.961 354 F HN -0.121 nan 8.300 nan 0.000 0.485 355 E N 0.584 120.759 120.200 -0.042 0.000 2.160 355 E HA -0.168 4.181 4.350 -0.000 0.000 0.195 355 E C 2.265 178.809 176.600 -0.093 0.000 0.991 355 E CA 1.353 57.651 56.400 -0.169 0.000 0.810 355 E CB -0.743 28.941 29.700 -0.026 0.000 0.742 355 E HN 0.528 nan 8.360 nan 0.000 0.466 356 A N 0.618 123.402 122.820 -0.060 0.000 1.851 356 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 356 A C 2.517 180.029 177.584 -0.119 0.000 1.195 356 A CA 1.868 53.865 52.037 -0.067 0.000 0.622 356 A CB -1.444 17.525 19.000 -0.051 0.000 0.831 356 A HN 0.377 nan 8.150 nan 0.000 0.444 357 G N -2.005 106.669 108.800 -0.210 0.000 2.516 357 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.221 357 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.221 357 G C 1.051 175.668 174.900 -0.472 0.000 1.107 357 G CA 0.950 45.822 45.100 -0.380 0.000 0.747 357 G HN 0.437 nan 8.290 nan 0.000 0.567 358 F N 0.480 120.155 119.950 -0.460 0.000 2.797 358 F HA 0.282 4.809 4.527 -0.000 0.000 0.302 358 F C 2.106 177.788 175.800 -0.196 0.000 1.130 358 F CA 0.047 57.767 58.000 -0.467 0.000 1.387 358 F CB 0.354 38.982 39.000 -0.620 0.000 1.107 358 F HN 0.209 nan 8.300 nan 0.000 0.577 359 E N -0.088 120.105 120.200 -0.013 0.000 3.122 359 E HA 0.155 4.505 4.350 -0.000 0.000 0.367 359 E C 1.815 178.415 176.600 0.000 0.000 0.496 359 E CA -0.138 56.265 56.400 0.006 0.000 1.980 359 E CB 0.228 29.919 29.700 -0.015 0.000 2.034 359 E HN 0.044 nan 8.360 nan 0.000 0.508 360 R N -0.284 120.204 120.500 -0.019 0.000 2.125 360 R HA 0.091 4.431 4.340 -0.000 0.000 0.195 360 R C 2.126 178.404 176.300 -0.036 0.000 1.138 360 R CA 0.759 56.848 56.100 -0.018 0.000 1.123 360 R CB -0.295 29.998 30.300 -0.012 0.000 1.049 360 R HN 0.347 nan 8.270 nan 0.000 0.503 361 G N 0.518 109.293 108.800 -0.041 0.000 2.586 361 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.215 361 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.215 361 G C 0.529 175.381 174.900 -0.080 0.000 1.128 361 G CA 0.412 45.483 45.100 -0.048 0.000 0.774 361 G HN 0.407 nan 8.290 nan 0.000 0.543 362 G N -0.040 108.696 108.800 -0.108 0.000 2.298 362 G HA2 0.292 4.252 3.960 -0.000 0.000 0.263 362 G HA3 0.292 4.252 3.960 -0.000 0.000 0.263 362 G C 0.700 175.462 174.900 -0.231 0.000 1.229 362 G CA -0.375 44.613 45.100 -0.187 0.000 0.976 362 G HN 0.469 nan 8.290 nan 0.000 0.459 363 Q N 1.768 121.376 119.800 -0.321 0.000 2.432 363 Q HA -0.049 4.291 4.340 -0.000 0.000 0.205 363 Q C 2.482 177.995 176.000 -0.810 0.000 0.945 363 Q CA 0.786 56.259 55.803 -0.550 0.000 0.924 363 Q CB 0.150 28.506 28.738 -0.637 0.000 1.016 363 Q HN 0.640 nan 8.270 nan 0.000 0.503 364 T N 1.030 115.259 114.554 -0.542 0.000 2.685 364 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 364 T C 1.675 176.312 174.700 -0.105 0.000 1.034 364 T CA 1.369 63.258 62.100 -0.352 0.000 1.149 364 T CB -0.124 68.258 68.868 -0.810 0.000 0.860 364 T HN 0.286 nan 8.240 nan 0.000 0.449 365 R N 0.775 121.265 120.500 -0.017 0.000 2.090 365 R HA -0.058 4.282 4.340 -0.000 0.000 0.228 365 R C 2.445 178.747 176.300 0.003 0.000 1.110 365 R CA 1.513 57.681 56.100 0.113 0.000 0.973 365 R CB -0.207 30.149 30.300 0.093 0.000 0.869 365 R HN 0.553 nan 8.270 nan 0.000 0.440 366 E N -0.441 119.699 120.200 -0.099 0.000 2.110 366 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 366 E C 1.566 178.180 176.600 0.023 0.000 0.988 366 E CA 1.356 57.712 56.400 -0.072 0.000 0.804 366 E CB -0.083 29.536 29.700 -0.134 0.000 0.745 366 E HN 0.604 nan 8.360 nan 0.000 0.458 367 H N -0.328 118.771 119.070 0.050 0.000 2.326 367 H HA -0.045 4.511 4.556 -0.000 0.000 0.301 367 H C 2.186 177.545 175.328 0.051 0.000 1.081 367 H CA 0.874 56.953 56.048 0.051 0.000 1.334 367 H CB -0.020 29.781 29.762 0.064 0.000 1.385 367 H HN 0.289 nan 8.280 nan 0.000 0.504 368 A N 0.794 123.728 122.820 0.190 0.000 1.883 368 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 368 A C 2.613 180.315 177.584 0.196 0.000 1.186 368 A CA 1.863 53.989 52.037 0.148 0.000 0.624 368 A CB -0.966 18.130 19.000 0.161 0.000 0.822 368 A HN 0.221 nan 8.150 nan 0.000 0.444 369 V N -0.388 119.611 119.914 0.142 0.000 2.343 369 V HA -0.253 3.866 4.120 -0.000 0.000 0.247 369 V C 2.497 178.658 176.094 0.113 0.000 1.051 369 V CA 1.975 64.341 62.300 0.111 0.000 1.036 369 V CB -0.849 31.009 31.823 0.058 0.000 0.654 369 V HN 0.581 nan 8.190 nan 0.000 0.451 370 L N 0.560 121.854 121.223 0.118 0.000 2.043 370 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 370 L C 2.438 179.373 176.870 0.109 0.000 1.075 370 L CA 2.357 57.265 54.840 0.112 0.000 0.752 370 L CB -0.811 41.331 42.059 0.139 0.000 0.891 370 L HN 0.258 nan 8.230 nan 0.000 0.432 371 A N -0.763 122.135 122.820 0.129 0.000 1.835 371 A HA -0.255 4.065 4.320 -0.000 0.000 0.215 371 A C 2.352 180.042 177.584 0.177 0.000 1.199 371 A CA 1.794 53.914 52.037 0.138 0.000 0.615 371 A CB -0.684 18.389 19.000 0.123 0.000 0.838 371 A HN 0.375 nan 8.150 nan 0.000 0.444 372 R N -0.299 120.338 120.500 0.229 0.000 2.154 372 R HA -0.108 4.232 4.340 -0.000 0.000 0.248 372 R C 2.144 178.490 176.300 0.076 0.000 1.155 372 R CA 2.039 58.214 56.100 0.126 0.000 0.979 372 R CB -1.516 28.828 30.300 0.073 0.000 0.869 372 R HN 0.589 nan 8.270 nan 0.000 0.452 373 T N 0.429 115.030 114.554 0.078 0.000 2.915 373 T HA -0.067 4.283 4.350 -0.000 0.000 0.269 373 T C 0.951 175.684 174.700 0.055 0.000 1.071 373 T CA 1.059 63.193 62.100 0.057 0.000 1.132 373 T CB -0.016 68.885 68.868 0.057 0.000 0.878 373 T HN 0.356 nan 8.240 nan 0.000 0.479 374 Q N -0.111 119.729 119.800 0.067 0.000 2.188 374 Q HA 0.331 4.671 4.340 -0.000 0.000 0.212 374 Q C 1.226 177.265 176.000 0.066 0.000 0.846 374 Q CA 0.059 55.899 55.803 0.061 0.000 0.989 374 Q CB 0.944 29.718 28.738 0.060 0.000 1.114 374 Q HN 0.551 nan 8.270 nan 0.000 0.488 375 G N 1.678 110.520 108.800 0.070 0.000 2.148 375 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.254 375 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.254 375 G C 0.201 175.165 174.900 0.107 0.000 0.981 375 G CA -0.276 44.868 45.100 0.074 0.000 0.670 375 G HN 0.333 nan 8.290 nan 0.000 0.528 376 I N 1.180 121.827 120.570 0.129 0.000 2.406 376 I HA 0.164 4.334 4.170 -0.000 0.000 0.293 376 I C 0.873 177.125 176.117 0.224 0.000 1.101 376 I CA 0.134 61.534 61.300 0.167 0.000 1.334 376 I CB -0.278 37.812 38.000 0.150 0.000 1.421 376 I HN 0.184 nan 8.210 nan 0.000 0.513 377 N N 4.140 122.951 118.700 0.186 0.000 2.203 377 N HA 0.034 4.774 4.740 -0.000 0.000 0.207 377 N C 0.212 175.796 175.510 0.123 0.000 1.130 377 N CA 0.032 53.167 53.050 0.141 0.000 0.861 377 N CB 0.391 38.954 38.487 0.128 0.000 1.005 377 N HN 0.496 nan 8.380 nan 0.000 0.507 378 H N 1.138 120.160 119.070 -0.080 0.000 2.808 378 H HA 0.193 4.749 4.556 -0.000 0.000 0.268 378 H C -1.416 173.856 175.328 -0.092 0.000 1.306 378 H CA -0.774 55.142 56.048 -0.221 0.000 1.565 378 H CB 0.283 29.552 29.762 -0.821 0.000 1.632 378 H HN 0.037 nan 8.280 nan 0.000 0.525 379 L N 5.408 126.500 121.223 -0.219 0.000 2.361 379 L HA 0.199 4.539 4.340 -0.000 0.000 0.278 379 L C -0.667 175.999 176.870 -0.340 0.000 1.113 379 L CA -0.183 54.490 54.840 -0.277 0.000 0.849 379 L CB 0.590 42.333 42.059 -0.526 0.000 1.155 379 L HN 0.251 nan 8.230 nan 0.000 0.452 380 V N 6.340 126.154 119.914 -0.168 0.000 2.432 380 V HA 0.293 4.413 4.120 -0.000 0.000 0.271 380 V C 0.038 176.030 176.094 -0.171 0.000 1.046 380 V CA -0.545 61.685 62.300 -0.118 0.000 0.945 380 V CB 1.154 33.007 31.823 0.050 0.000 0.992 380 V HN 0.509 nan 8.190 nan 0.000 0.471 381 V N 5.809 125.586 119.914 -0.229 0.000 2.384 381 V HA 0.400 4.520 4.120 -0.000 0.000 0.287 381 V C -0.089 176.000 176.094 -0.008 0.000 1.020 381 V CA -0.592 61.625 62.300 -0.138 0.000 0.850 381 V CB 1.907 33.608 31.823 -0.204 0.000 0.987 381 V HN 0.592 nan 8.190 nan 0.000 0.436 382 V N 6.629 126.569 119.914 0.043 0.000 2.347 382 V HA 0.433 4.552 4.120 -0.000 0.000 0.280 382 V C 0.036 176.201 176.094 0.118 0.000 1.021 382 V CA -0.294 62.055 62.300 0.081 0.000 0.847 382 V CB 1.577 33.439 31.823 0.066 0.000 0.990 382 V HN 0.696 nan 8.190 nan 0.000 0.444 383 I N 5.877 126.547 120.570 0.167 0.000 2.269 383 I HA 0.241 4.411 4.170 -0.000 0.000 0.293 383 I C 0.789 176.951 176.117 0.075 0.000 1.106 383 I CA 0.221 61.617 61.300 0.160 0.000 1.248 383 I CB 0.130 38.259 38.000 0.214 0.000 1.444 383 I HN 0.649 nan 8.210 nan 0.000 0.497 384 N N 5.617 124.344 118.700 0.046 0.000 2.347 384 N HA 0.152 4.892 4.740 -0.000 0.000 0.253 384 N C -0.251 175.215 175.510 -0.073 0.000 1.274 384 N CA -0.469 52.572 53.050 -0.015 0.000 0.941 384 N CB 0.511 39.004 38.487 0.009 0.000 1.200 384 N HN 0.434 nan 8.380 nan 0.000 0.514 385 K N 0.770 121.099 120.400 -0.117 0.000 3.181 385 K HA -0.119 4.201 4.320 -0.000 0.000 0.269 385 K C 0.063 176.492 176.600 -0.284 0.000 1.097 385 K CA 0.185 56.382 56.287 -0.151 0.000 0.783 385 K CB -1.025 31.427 32.500 -0.081 0.000 1.267 385 K HN 0.618 nan 8.250 nan 0.000 0.484 386 M N 0.024 119.305 119.600 -0.533 0.000 2.561 386 M HA -0.044 4.436 4.480 -0.000 0.000 0.238 386 M C 1.595 177.245 176.300 -1.082 0.000 1.131 386 M CA 1.161 55.873 55.300 -0.980 0.000 1.046 386 M CB -0.353 31.115 32.600 -1.887 0.000 1.532 386 M HN 0.350 nan 8.290 nan 0.000 0.497 387 D N -0.292 119.787 120.400 -0.535 0.000 2.271 387 D HA -0.033 4.607 4.640 -0.000 0.000 0.206 387 D C 0.309 176.542 176.300 -0.110 0.000 0.967 387 D CA 0.069 53.957 54.000 -0.187 0.000 0.867 387 D CB -0.164 40.650 40.800 0.024 0.000 0.960 387 D HN 0.181 nan 8.370 nan 0.000 0.509 388 E N 1.859 121.973 120.200 -0.143 0.000 2.760 388 E HA -0.080 4.270 4.350 -0.000 0.000 0.268 388 E C -1.489 175.074 176.600 -0.061 0.000 0.935 388 E CA -0.569 55.772 56.400 -0.097 0.000 0.960 388 E CB 0.956 30.595 29.700 -0.101 0.000 0.931 388 E HN 0.079 nan 8.360 nan 0.000 0.483 389 P HA -0.188 nan 4.420 nan 0.000 0.217 389 P C 1.102 178.392 177.300 -0.017 0.000 1.151 389 P CA 1.692 64.782 63.100 -0.016 0.000 0.849 389 P CB 0.104 31.794 31.700 -0.017 0.000 0.787 390 S N -2.628 113.054 115.700 -0.030 0.000 2.660 390 S HA 0.052 4.522 4.470 -0.000 0.000 0.223 390 S C 1.345 175.922 174.600 -0.038 0.000 0.963 390 S CA 0.387 58.570 58.200 -0.028 0.000 0.932 390 S CB -0.797 62.386 63.200 -0.027 0.000 0.775 390 S HN -0.014 nan 8.310 nan 0.000 0.531 391 V N -0.773 119.113 119.914 -0.047 0.000 3.102 391 V HA 0.162 4.282 4.120 -0.000 0.000 0.225 391 V C 0.739 176.827 176.094 -0.009 0.000 1.301 391 V CA -0.006 62.256 62.300 -0.062 0.000 1.308 391 V CB -0.588 31.152 31.823 -0.139 0.000 1.129 391 V HN 0.351 nan 8.190 nan 0.000 0.502 392 Q N -1.408 118.391 119.800 -0.001 0.000 2.439 392 Q HA -0.304 4.036 4.340 -0.000 0.000 0.247 392 Q C -0.037 176.140 176.000 0.295 0.000 0.899 392 Q CA 1.391 57.264 55.803 0.117 0.000 1.201 392 Q CB -2.165 26.641 28.738 0.114 0.000 1.608 392 Q HN 0.844 nan 8.270 nan 0.000 0.563 393 W N -0.105 121.268 121.300 0.122 0.000 4.949 393 W HA -0.219 4.441 4.660 -0.000 0.000 0.380 393 W C 0.369 177.147 176.519 0.432 0.000 1.446 393 W CA 0.835 58.319 57.345 0.232 0.000 0.869 393 W CB -1.951 27.575 29.460 0.110 0.000 2.591 393 W HN 0.268 nan 8.180 nan 0.000 1.398 394 S N 0.506 116.433 115.700 0.378 0.000 2.465 394 S HA 0.116 4.586 4.470 -0.000 0.000 0.280 394 S C 1.407 176.022 174.600 0.025 0.000 1.232 394 S CA 0.383 58.700 58.200 0.196 0.000 1.066 394 S CB 0.944 64.177 63.200 0.055 0.000 0.929 394 S HN 0.411 nan 8.310 nan 0.000 0.494 395 E N 3.390 123.317 120.200 -0.454 0.000 2.273 395 E HA -0.216 4.133 4.350 -0.000 0.000 0.198 395 E C 1.059 177.315 176.600 -0.573 0.000 1.002 395 E CA 1.736 57.311 56.400 -1.375 0.000 0.828 395 E CB 0.149 28.861 29.700 -1.647 0.000 0.747 395 E HN 0.825 nan 8.360 nan 0.000 0.491 396 E N -0.564 119.458 120.200 -0.297 0.000 2.127 396 E HA -0.022 4.328 4.350 -0.000 0.000 0.191 396 E C 1.879 178.385 176.600 -0.156 0.000 0.964 396 E CA 0.545 56.827 56.400 -0.197 0.000 0.832 396 E CB -0.076 29.535 29.700 -0.148 0.000 0.790 396 E HN -0.004 nan 8.360 nan 0.000 0.465 397 R N 0.237 120.666 120.500 -0.118 0.000 2.096 397 R HA -0.178 4.162 4.340 -0.000 0.000 0.235 397 R C 2.018 178.217 176.300 -0.168 0.000 1.127 397 R CA 1.418 57.436 56.100 -0.137 0.000 0.968 397 R CB -0.857 29.389 30.300 -0.091 0.000 0.861 397 R HN 0.310 nan 8.270 nan 0.000 0.440 398 Y N 0.887 121.086 120.300 -0.170 0.000 2.089 398 Y HA -0.136 4.414 4.550 -0.000 0.000 0.282 398 Y C 2.006 177.808 175.900 -0.163 0.000 1.139 398 Y CA 2.245 60.279 58.100 -0.111 0.000 1.123 398 Y CB -0.353 38.173 38.460 0.110 0.000 0.980 398 Y HN 0.093 nan 8.280 nan 0.000 0.493 399 K N 0.358 120.629 120.400 -0.215 0.000 2.442 399 K HA -0.196 4.124 4.320 -0.000 0.000 0.198 399 K C 2.079 178.503 176.600 -0.295 0.000 1.042 399 K CA 1.303 57.420 56.287 -0.284 0.000 0.958 399 K CB -0.132 32.282 32.500 -0.144 0.000 0.766 399 K HN 0.581 nan 8.250 nan 0.000 0.474 400 E N -0.426 119.603 120.200 -0.285 0.000 2.086 400 E HA -0.131 4.219 4.350 -0.000 0.000 0.190 400 E C 1.661 178.079 176.600 -0.304 0.000 0.975 400 E CA 0.938 57.188 56.400 -0.249 0.000 0.813 400 E CB 0.070 29.638 29.700 -0.221 0.000 0.768 400 E HN 0.384 nan 8.360 nan 0.000 0.457 401 C N 0.311 119.320 119.300 -0.485 0.000 2.453 401 C HA -0.050 4.410 4.460 -0.000 0.000 0.277 401 C C 2.661 177.484 174.990 -0.279 0.000 1.262 401 C CA 0.318 58.985 59.018 -0.586 0.000 1.718 401 C CB -0.769 26.430 27.740 -0.903 0.000 2.031 401 C HN 0.305 nan 8.230 nan 0.000 0.480 402 V N 1.647 121.252 119.914 -0.514 0.000 2.252 402 V HA -0.258 3.862 4.120 -0.000 0.000 0.249 402 V C 2.128 177.939 176.094 -0.471 0.000 1.056 402 V CA 2.492 64.365 62.300 -0.711 0.000 1.022 402 V CB -0.842 30.426 31.823 -0.925 0.000 0.641 402 V HN 0.449 nan 8.190 nan 0.000 0.445 403 D N -0.234 119.977 120.400 -0.314 0.000 2.106 403 D HA -0.219 4.421 4.640 -0.000 0.000 0.191 403 D C 2.159 178.422 176.300 -0.062 0.000 0.997 403 D CA 1.766 55.669 54.000 -0.162 0.000 0.834 403 D CB -0.326 40.395 40.800 -0.132 0.000 0.956 403 D HN 0.341 nan 8.370 nan 0.000 0.448 404 K N 0.259 120.625 120.400 -0.056 0.000 2.032 404 K HA -0.066 4.254 4.320 -0.000 0.000 0.209 404 K C 2.183 178.858 176.600 0.125 0.000 1.048 404 K CA 0.805 57.069 56.287 -0.039 0.000 0.927 404 K CB -0.422 31.981 32.500 -0.162 0.000 0.712 404 K HN 0.094 nan 8.250 nan 0.000 0.441 405 L N -0.098 121.266 121.223 0.235 0.000 2.017 405 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 405 L C 2.516 179.629 176.870 0.404 0.000 1.073 405 L CA 1.520 56.630 54.840 0.450 0.000 0.745 405 L CB -0.562 41.778 42.059 0.469 0.000 0.894 405 L HN 0.335 nan 8.230 nan 0.000 0.432 406 S N -0.427 115.416 115.700 0.238 0.000 2.354 406 S HA -0.253 4.217 4.470 -0.000 0.000 0.219 406 S C 2.114 176.848 174.600 0.223 0.000 1.035 406 S CA 1.481 59.825 58.200 0.240 0.000 1.037 406 S CB -0.095 63.154 63.200 0.082 0.000 0.956 406 S HN 0.216 nan 8.310 nan 0.000 0.428 407 M N 0.152 119.854 119.600 0.169 0.000 2.088 407 M HA -0.148 4.332 4.480 -0.000 0.000 0.256 407 M C 2.028 178.454 176.300 0.210 0.000 1.071 407 M CA 1.677 57.069 55.300 0.154 0.000 1.097 407 M CB -1.636 31.035 32.600 0.118 0.000 1.315 407 M HN 0.505 nan 8.290 nan 0.000 0.406 408 F N 1.097 121.135 119.950 0.147 0.000 2.065 408 F HA -0.248 4.279 4.527 -0.000 0.000 0.298 408 F C 2.218 178.105 175.800 0.146 0.000 1.112 408 F CA 1.752 59.857 58.000 0.176 0.000 1.212 408 F CB -0.457 38.742 39.000 0.332 0.000 0.975 408 F HN 0.023 nan 8.300 nan 0.000 0.476 409 L N -0.363 121.062 121.223 0.336 0.000 2.046 409 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 409 L C 2.551 179.533 176.870 0.187 0.000 1.077 409 L CA 1.456 56.445 54.840 0.249 0.000 0.747 409 L CB -0.755 41.462 42.059 0.263 0.000 0.896 409 L HN 0.059 nan 8.230 nan 0.000 0.432 410 R N 0.642 121.241 120.500 0.165 0.000 2.105 410 R HA -0.192 4.148 4.340 -0.000 0.000 0.239 410 R C 2.280 178.594 176.300 0.023 0.000 1.135 410 R CA 1.646 57.807 56.100 0.101 0.000 0.967 410 R CB -0.422 29.931 30.300 0.090 0.000 0.861 410 R HN 0.252 nan 8.270 nan 0.000 0.442 411 R N -0.450 120.033 120.500 -0.029 0.000 2.052 411 R HA -0.052 4.288 4.340 -0.000 0.000 0.226 411 R C 2.043 178.263 176.300 -0.135 0.000 1.145 411 R CA 1.705 57.750 56.100 -0.091 0.000 0.952 411 R CB -0.214 30.005 30.300 -0.135 0.000 0.847 411 R HN 0.231 nan 8.270 nan 0.000 0.431 412 V N -2.628 117.143 119.914 -0.238 0.000 2.871 412 V HA 0.255 4.375 4.120 -0.000 0.000 0.256 412 V C 1.269 177.317 176.094 -0.076 0.000 1.082 412 V CA 1.465 63.631 62.300 -0.223 0.000 1.105 412 V CB 0.441 32.011 31.823 -0.422 0.000 0.713 412 V HN 0.373 nan 8.190 nan 0.000 0.473 413 A N -1.251 121.570 122.820 0.003 0.000 2.704 413 A HA 0.601 4.921 4.320 -0.000 0.000 0.260 413 A C 1.623 179.177 177.584 -0.050 0.000 1.144 413 A CA 0.742 52.818 52.037 0.064 0.000 0.985 413 A CB 0.252 19.428 19.000 0.293 0.000 1.256 413 A HN 1.613 nan 8.150 nan 0.000 0.598 414 G N -1.111 107.669 108.800 -0.033 0.000 2.179 414 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.260 414 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.260 414 G C -0.005 174.833 174.900 -0.104 0.000 0.977 414 G CA 0.477 45.521 45.100 -0.094 0.000 0.641 414 G HN 0.550 nan 8.290 nan 0.000 0.533 415 Y N 1.223 121.529 120.300 0.010 0.000 2.605 415 Y HA 0.307 4.857 4.550 -0.000 0.000 0.336 415 Y C 0.938 176.856 175.900 0.030 0.000 1.111 415 Y CA 0.039 58.147 58.100 0.013 0.000 1.422 415 Y CB 0.422 38.888 38.460 0.010 0.000 1.193 415 Y HN 0.292 nan 8.280 nan 0.000 0.526 416 N N 1.436 120.213 118.700 0.128 0.000 2.406 416 N HA 0.051 4.791 4.740 -0.000 0.000 0.251 416 N C 0.211 175.799 175.510 0.130 0.000 1.069 416 N CA 0.139 53.254 53.050 0.110 0.000 0.947 416 N CB 1.059 39.586 38.487 0.067 0.000 1.111 416 N HN 0.458 nan 8.380 nan 0.000 0.497 417 S N 2.572 118.363 115.700 0.153 0.000 2.561 417 S HA -0.025 4.445 4.470 -0.000 0.000 0.225 417 S C 1.360 176.054 174.600 0.157 0.000 0.977 417 S CA 0.359 58.668 58.200 0.181 0.000 0.926 417 S CB -0.068 63.315 63.200 0.305 0.000 0.769 417 S HN 0.569 nan 8.310 nan 0.000 0.533 418 K N 1.933 122.407 120.400 0.124 0.000 2.296 418 K HA 0.027 4.347 4.320 -0.000 0.000 0.200 418 K C 1.150 177.815 176.600 0.107 0.000 1.048 418 K CA 1.080 57.435 56.287 0.112 0.000 0.966 418 K CB 0.086 32.641 32.500 0.092 0.000 0.754 418 K HN 0.415 nan 8.250 nan 0.000 0.466 419 T N -3.478 111.137 114.554 0.102 0.000 3.604 419 T HA 0.310 4.660 4.350 -0.000 0.000 0.305 419 T C -0.481 174.290 174.700 0.118 0.000 0.978 419 T CA -0.570 61.601 62.100 0.119 0.000 0.999 419 T CB 0.067 69.002 68.868 0.111 0.000 1.204 419 T HN -0.074 nan 8.240 nan 0.000 0.476 420 D N 0.087 120.516 120.400 0.049 0.000 2.480 420 D HA 0.321 4.961 4.640 -0.000 0.000 0.276 420 D C -0.540 175.621 176.300 -0.232 0.000 1.294 420 D CA 0.012 54.013 54.000 0.002 0.000 0.829 420 D CB 1.442 42.323 40.800 0.135 0.000 1.242 420 D HN 0.334 nan 8.370 nan 0.000 0.513 421 V N 0.985 120.711 119.914 -0.314 0.000 2.752 421 V HA 0.344 4.464 4.120 -0.000 0.000 0.302 421 V C -1.095 174.718 176.094 -0.469 0.000 1.133 421 V CA -0.931 61.080 62.300 -0.481 0.000 0.919 421 V CB 2.479 34.043 31.823 -0.433 0.000 1.026 421 V HN -0.154 nan 8.190 nan 0.000 0.429 422 K N 3.984 124.093 120.400 -0.486 0.000 2.213 422 K HA 0.601 4.921 4.320 -0.000 0.000 0.270 422 K C -1.527 174.854 176.600 -0.365 0.000 1.002 422 K CA -0.230 55.875 56.287 -0.303 0.000 0.868 422 K CB 0.719 33.083 32.500 -0.227 0.000 1.093 422 K HN 0.505 nan 8.250 nan 0.000 0.454 423 Y N 3.597 123.894 120.300 -0.003 0.000 2.361 423 Y HA 0.558 5.108 4.550 -0.000 0.000 0.332 423 Y C 0.117 176.110 175.900 0.156 0.000 1.101 423 Y CA -0.635 57.511 58.100 0.078 0.000 1.137 423 Y CB 1.774 40.291 38.460 0.096 0.000 1.207 423 Y HN 0.368 nan 8.280 nan 0.000 0.463 424 M N 5.698 125.504 119.600 0.343 0.000 2.296 424 M HA 0.268 4.748 4.480 -0.000 0.000 0.268 424 M C -3.035 173.366 176.300 0.168 0.000 1.048 424 M CA -1.774 53.663 55.300 0.228 0.000 0.966 424 M CB 2.585 35.224 32.600 0.066 0.000 1.912 424 M HN 0.274 nan 8.290 nan 0.000 0.484 425 P HA 0.434 nan 4.420 nan 0.000 0.285 425 P C -1.322 175.909 177.300 -0.114 0.000 1.259 425 P CA -0.294 62.763 63.100 -0.071 0.000 0.794 425 P CB 1.203 32.675 31.700 -0.380 0.000 0.940 426 V N -0.521 119.345 119.914 -0.080 0.000 3.226 426 V HA 0.798 4.917 4.120 -0.000 0.000 0.304 426 V C -1.070 174.978 176.094 -0.077 0.000 1.336 426 V CA -0.971 61.319 62.300 -0.017 0.000 1.066 426 V CB 1.842 33.663 31.823 -0.004 0.000 1.087 426 V HN 0.533 nan 8.190 nan 0.000 0.451 427 S N 0.447 116.158 115.700 0.019 0.000 2.652 427 S HA 0.709 5.179 4.470 -0.000 0.000 0.252 427 S C 0.787 175.417 174.600 0.051 0.000 1.219 427 S CA 0.215 58.424 58.200 0.015 0.000 1.151 427 S CB 0.894 64.150 63.200 0.093 0.000 1.080 427 S HN 1.911 nan 8.310 nan 0.000 0.481 428 A N 3.935 126.776 122.820 0.035 0.000 1.972 428 A HA -0.000 4.320 4.320 -0.000 0.000 0.219 428 A C 1.566 179.189 177.584 0.065 0.000 1.169 428 A CA 1.391 53.445 52.037 0.028 0.000 0.635 428 A CB -0.816 18.187 19.000 0.005 0.000 0.810 428 A HN 0.960 nan 8.150 nan 0.000 0.446 429 Y N 1.333 121.622 120.300 -0.018 0.000 2.153 429 Y HA -0.162 4.388 4.550 -0.000 0.000 0.289 429 Y C 2.854 178.761 175.900 0.012 0.000 1.127 429 Y CA 2.458 60.553 58.100 -0.008 0.000 1.131 429 Y CB -0.482 37.970 38.460 -0.013 0.000 0.995 429 Y HN 0.384 nan 8.280 nan 0.000 0.505 430 T N -2.779 111.854 114.554 0.133 0.000 3.088 430 T HA 0.182 4.532 4.350 -0.000 0.000 0.259 430 T C 1.620 176.336 174.700 0.026 0.000 1.122 430 T CA 0.684 62.821 62.100 0.061 0.000 1.095 430 T CB -0.688 68.283 68.868 0.172 0.000 0.930 430 T HN 0.754 nan 8.240 nan 0.000 0.508 431 G N 1.335 110.151 108.800 0.027 0.000 2.160 431 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.251 431 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.251 431 G C -0.210 174.706 174.900 0.027 0.000 1.008 431 G CA 0.093 45.200 45.100 0.011 0.000 0.724 431 G HN 0.681 nan 8.290 nan 0.000 0.514 432 Q N -0.179 119.671 119.800 0.082 0.000 2.349 432 Q HA 0.448 4.788 4.340 -0.000 0.000 0.254 432 Q C 0.974 177.033 176.000 0.099 0.000 0.980 432 Q CA -0.240 55.620 55.803 0.096 0.000 0.924 432 Q CB 0.777 29.633 28.738 0.197 0.000 1.209 432 Q HN 0.331 nan 8.270 nan 0.000 0.445 433 N N 0.869 119.573 118.700 0.006 0.000 2.997 433 N HA -0.172 4.567 4.740 -0.000 0.000 0.214 433 N C 0.299 175.802 175.510 -0.012 0.000 0.904 433 N CA 0.893 53.927 53.050 -0.027 0.000 1.021 433 N CB -0.812 37.634 38.487 -0.068 0.000 1.040 433 N HN 0.467 nan 8.380 nan 0.000 0.573 434 V N 0.280 120.188 119.914 -0.010 0.000 2.331 434 V HA 0.069 4.189 4.120 -0.000 0.000 0.242 434 V C 2.155 178.231 176.094 -0.030 0.000 1.034 434 V CA 2.518 64.803 62.300 -0.025 0.000 1.027 434 V CB -0.068 31.727 31.823 -0.047 0.000 0.667 434 V HN 0.329 nan 8.190 nan 0.000 0.457 435 K N -0.946 119.430 120.400 -0.040 0.000 2.172 435 K HA 0.101 4.421 4.320 -0.000 0.000 0.203 435 K C 0.032 176.626 176.600 -0.010 0.000 1.040 435 K CA 0.578 56.845 56.287 -0.033 0.000 0.974 435 K CB 0.201 32.661 32.500 -0.066 0.000 0.857 435 K HN 0.507 nan 8.250 nan 0.000 0.464 436 D N 2.219 122.607 120.400 -0.020 0.000 2.217 436 D HA 0.087 4.727 4.640 -0.000 0.000 0.243 436 D C -0.691 175.600 176.300 -0.015 0.000 1.054 436 D CA -0.421 53.571 54.000 -0.013 0.000 0.838 436 D CB 1.505 42.290 40.800 -0.026 0.000 1.162 436 D HN 0.228 nan 8.370 nan 0.000 0.472 437 R N -0.194 120.310 120.500 0.006 0.000 2.537 437 R HA 0.142 4.482 4.340 -0.000 0.000 0.281 437 R C 0.557 176.818 176.300 -0.066 0.000 0.988 437 R CA -0.673 55.434 56.100 0.011 0.000 1.077 437 R CB -0.255 30.087 30.300 0.070 0.000 0.932 437 R HN 0.222 nan 8.270 nan 0.000 0.409 438 V N -0.344 119.481 119.914 -0.148 0.000 2.790 438 V HA -0.109 4.010 4.120 -0.000 0.000 0.304 438 V C 0.341 176.290 176.094 -0.242 0.000 1.142 438 V CA -0.106 62.030 62.300 -0.273 0.000 1.282 438 V CB 0.123 31.588 31.823 -0.597 0.000 0.877 438 V HN 0.905 nan 8.190 nan 0.000 0.504 439 D N 3.544 123.811 120.400 -0.222 0.000 2.350 439 D HA 0.201 4.841 4.640 -0.000 0.000 0.249 439 D C 1.228 177.394 176.300 -0.223 0.000 1.119 439 D CA 0.612 54.508 54.000 -0.174 0.000 0.886 439 D CB 1.658 42.382 40.800 -0.127 0.000 1.195 439 D HN 0.617 nan 8.370 nan 0.000 0.437 440 S N 1.893 117.489 115.700 -0.174 0.000 2.413 440 S HA -0.263 4.207 4.470 -0.000 0.000 0.237 440 S C 1.905 176.398 174.600 -0.178 0.000 1.044 440 S CA 1.323 59.417 58.200 -0.177 0.000 1.024 440 S CB -0.412 62.723 63.200 -0.108 0.000 0.829 440 S HN 0.641 nan 8.310 nan 0.000 0.475 441 S N 0.654 116.265 115.700 -0.148 0.000 2.368 441 S HA -0.150 4.320 4.470 -0.000 0.000 0.226 441 S C 1.840 176.339 174.600 -0.169 0.000 1.044 441 S CA 1.931 60.056 58.200 -0.124 0.000 1.062 441 S CB -0.427 62.713 63.200 -0.099 0.000 0.931 441 S HN 0.360 nan 8.310 nan 0.000 0.440 442 V N -0.575 119.179 119.914 -0.266 0.000 2.346 442 V HA 0.079 4.199 4.120 -0.000 0.000 0.244 442 V C 1.402 177.158 176.094 -0.563 0.000 1.037 442 V CA 1.202 63.276 62.300 -0.376 0.000 1.029 442 V CB -0.412 31.115 31.823 -0.493 0.000 0.663 442 V HN 0.733 nan 8.190 nan 0.000 0.454 443 C N 1.436 120.308 119.300 -0.713 0.000 2.547 443 C HA 0.538 4.998 4.460 -0.000 0.000 0.327 443 C C -1.676 172.962 174.990 -0.588 0.000 1.076 443 C CA -1.238 57.287 59.018 -0.821 0.000 1.390 443 C CB 0.934 27.816 27.740 -1.429 0.000 1.918 443 C HN 0.308 nan 8.230 nan 0.000 0.438 444 P HA -0.007 nan 4.420 nan 0.000 0.222 444 P C 1.513 178.773 177.300 -0.067 0.000 1.153 444 P CA 1.189 64.209 63.100 -0.133 0.000 0.798 444 P CB -0.048 31.663 31.700 0.018 0.000 0.796 445 W N -1.396 119.894 121.300 -0.016 0.000 2.443 445 W HA 0.058 4.718 4.660 -0.000 0.000 0.296 445 W C 0.771 177.302 176.519 0.021 0.000 1.202 445 W CA -0.205 57.146 57.345 0.010 0.000 1.312 445 W CB -2.065 27.417 29.460 0.036 0.000 1.120 445 W HN -0.107 nan 8.180 nan 0.000 0.536 446 Y N 4.695 124.819 120.300 -0.292 0.000 2.811 446 Y HA -0.121 4.428 4.550 -0.000 0.000 0.334 446 Y C 1.663 177.489 175.900 -0.122 0.000 1.247 446 Y CA 1.410 59.380 58.100 -0.217 0.000 1.526 446 Y CB 0.719 38.885 38.460 -0.490 0.000 1.284 446 Y HN 0.178 nan 8.280 nan 0.000 0.586 447 Q N 3.168 122.528 119.800 -0.732 0.000 2.179 447 Q HA 0.282 4.622 4.340 -0.000 0.000 0.244 447 Q C 0.991 176.647 176.000 -0.574 0.000 0.808 447 Q CA 0.186 55.707 55.803 -0.471 0.000 0.955 447 Q CB 0.502 29.109 28.738 -0.219 0.000 1.141 447 Q HN 0.777 nan 8.270 nan 0.000 0.485 448 G N 2.977 111.122 108.800 -1.091 0.000 2.486 448 G HA2 0.331 4.290 3.960 -0.000 0.000 0.272 448 G HA3 0.331 4.290 3.960 -0.000 0.000 0.272 448 G C -2.394 172.441 174.900 -0.108 0.000 1.426 448 G CA -0.667 44.126 45.100 -0.511 0.000 1.058 448 G HN 0.051 nan 8.290 nan 0.000 0.531 449 P HA 0.279 nan 4.420 nan 0.000 0.285 449 P C 0.181 177.649 177.300 0.279 0.000 1.285 449 P CA -0.431 62.794 63.100 0.208 0.000 0.854 449 P CB 1.620 33.440 31.700 0.200 0.000 1.180 450 S N 0.453 116.260 115.700 0.178 0.000 2.611 450 S HA -0.043 4.427 4.470 -0.000 0.000 0.252 450 S C 1.301 175.983 174.600 0.136 0.000 1.369 450 S CA -0.213 58.056 58.200 0.115 0.000 0.975 450 S CB -0.549 62.691 63.200 0.067 0.000 0.937 450 S HN 0.407 nan 8.310 nan 0.000 0.584 451 L N 0.364 121.638 121.223 0.085 0.000 2.072 451 L HA 0.195 4.535 4.340 -0.000 0.000 0.205 451 L C 2.135 179.083 176.870 0.130 0.000 1.079 451 L CA 1.446 56.351 54.840 0.108 0.000 0.752 451 L CB -1.102 40.989 42.059 0.052 0.000 0.906 451 L HN 0.830 nan 8.230 nan 0.000 0.436 452 L N -0.794 120.472 121.223 0.072 0.000 2.109 452 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 452 L C 2.449 179.399 176.870 0.134 0.000 1.086 452 L CA 1.005 55.885 54.840 0.067 0.000 0.760 452 L CB -0.521 41.554 42.059 0.027 0.000 0.910 452 L HN 0.287 nan 8.230 nan 0.000 0.437 453 E N -0.530 119.756 120.200 0.144 0.000 2.049 453 E HA -0.307 4.043 4.350 -0.000 0.000 0.198 453 E C 2.037 178.764 176.600 0.211 0.000 1.007 453 E CA 1.998 58.498 56.400 0.167 0.000 0.809 453 E CB -0.235 29.561 29.700 0.159 0.000 0.749 453 E HN 0.396 nan 8.360 nan 0.000 0.450 454 Y N 0.699 121.067 120.300 0.114 0.000 2.114 454 Y HA -0.231 4.319 4.550 -0.000 0.000 0.284 454 Y C 1.988 177.969 175.900 0.136 0.000 1.143 454 Y CA 1.275 59.448 58.100 0.121 0.000 1.135 454 Y CB -0.440 38.092 38.460 0.121 0.000 0.980 454 Y HN 0.017 nan 8.280 nan 0.000 0.499 455 L N 0.677 121.964 121.223 0.106 0.000 2.189 455 L HA -0.224 4.116 4.340 -0.000 0.000 0.214 455 L C 1.770 178.779 176.870 0.232 0.000 1.097 455 L CA 2.278 57.147 54.840 0.049 0.000 0.764 455 L CB -0.952 41.071 42.059 -0.061 0.000 0.900 455 L HN 0.360 nan 8.230 nan 0.000 0.436 456 D N -2.240 118.300 120.400 0.234 0.000 2.349 456 D HA -0.043 4.597 4.640 -0.000 0.000 0.224 456 D C 1.570 177.991 176.300 0.201 0.000 1.029 456 D CA 0.839 55.030 54.000 0.318 0.000 0.879 456 D CB 0.288 41.259 40.800 0.285 0.000 0.906 456 D HN 0.310 nan 8.370 nan 0.000 0.528 457 S N -1.667 114.075 115.700 0.070 0.000 2.800 457 S HA 0.187 4.657 4.470 -0.000 0.000 0.266 457 S C 0.320 174.866 174.600 -0.091 0.000 1.029 457 S CA -0.678 57.528 58.200 0.010 0.000 1.302 457 S CB -0.114 63.115 63.200 0.049 0.000 1.212 457 S HN -0.013 nan 8.310 nan 0.000 0.683 458 M N 3.858 123.319 119.600 -0.231 0.000 2.233 458 M HA 0.276 4.756 4.480 -0.000 0.000 0.350 458 M C 1.733 177.940 176.300 -0.154 0.000 1.176 458 M CA 0.579 55.711 55.300 -0.281 0.000 1.150 458 M CB 1.219 33.454 32.600 -0.607 0.000 1.530 458 M HN 0.538 nan 8.290 nan 0.000 0.459 459 T N 0.320 114.809 114.554 -0.109 0.000 2.812 459 T HA -0.087 4.262 4.350 -0.000 0.000 0.264 459 T C 1.065 175.718 174.700 -0.079 0.000 1.042 459 T CA 0.902 62.950 62.100 -0.085 0.000 1.140 459 T CB -0.405 68.424 68.868 -0.066 0.000 0.870 459 T HN 0.648 nan 8.240 nan 0.000 0.445 460 H N 2.268 121.220 119.070 -0.196 0.000 3.432 460 H HA 0.306 4.862 4.556 -0.000 0.000 0.252 460 H C -0.716 174.524 175.328 -0.145 0.000 1.397 460 H CA -0.514 55.415 56.048 -0.200 0.000 1.549 460 H CB -1.117 28.415 29.762 -0.382 0.000 1.699 460 H HN 0.400 nan 8.280 nan 0.000 0.523 461 L N 5.108 126.330 121.223 -0.002 0.000 2.298 461 L HA 0.121 4.461 4.340 -0.000 0.000 0.284 461 L C 1.474 178.350 176.870 0.011 0.000 1.013 461 L CA -0.775 54.089 54.840 0.041 0.000 0.824 461 L CB 1.755 43.800 42.059 -0.024 0.000 1.221 461 L HN 0.434 nan 8.230 nan 0.000 0.418 462 E N 2.635 122.897 120.200 0.103 0.000 2.048 462 E HA -0.249 4.101 4.350 -0.000 0.000 0.202 462 E C 1.859 178.463 176.600 0.007 0.000 1.021 462 E CA 1.555 58.003 56.400 0.080 0.000 0.825 462 E CB -0.045 29.730 29.700 0.124 0.000 0.756 462 E HN 0.534 nan 8.360 nan 0.000 0.454 463 R N 0.621 121.123 120.500 0.002 0.000 2.134 463 R HA -0.192 4.148 4.340 -0.000 0.000 0.248 463 R C 2.524 178.807 176.300 -0.028 0.000 1.143 463 R CA 1.932 58.020 56.100 -0.019 0.000 0.957 463 R CB -0.276 29.999 30.300 -0.042 0.000 0.867 463 R HN 0.115 nan 8.270 nan 0.000 0.441 464 K N 0.375 120.747 120.400 -0.047 0.000 2.025 464 K HA -0.083 4.237 4.320 -0.000 0.000 0.207 464 K C 1.930 178.505 176.600 -0.041 0.000 1.049 464 K CA 1.154 57.418 56.287 -0.038 0.000 0.933 464 K CB 0.108 32.569 32.500 -0.064 0.000 0.714 464 K HN -0.000 nan 8.250 nan 0.000 0.438 465 V N 1.634 121.482 119.914 -0.110 0.000 2.568 465 V HA -0.236 3.884 4.120 -0.000 0.000 0.253 465 V C 1.447 177.501 176.094 -0.066 0.000 1.072 465 V CA 1.987 64.194 62.300 -0.156 0.000 1.084 465 V CB -0.646 30.949 31.823 -0.380 0.000 0.676 465 V HN 0.410 nan 8.190 nan 0.000 0.469 466 N N -0.678 118.005 118.700 -0.028 0.000 2.405 466 N HA 0.251 4.991 4.740 -0.000 0.000 0.175 466 N C 0.865 176.391 175.510 0.026 0.000 1.051 466 N CA 0.444 53.496 53.050 0.003 0.000 0.899 466 N CB 0.018 38.511 38.487 0.011 0.000 1.000 466 N HN 0.486 nan 8.380 nan 0.000 0.451 467 A N 1.629 124.476 122.820 0.045 0.000 2.475 467 A HA 0.210 4.530 4.320 -0.000 0.000 0.239 467 A C -2.178 175.449 177.584 0.071 0.000 1.087 467 A CA -0.705 51.386 52.037 0.091 0.000 0.779 467 A CB -0.308 18.807 19.000 0.192 0.000 1.036 467 A HN 0.012 nan 8.150 nan 0.000 0.506 468 P HA 0.114 nan 4.420 nan 0.000 0.266 468 P C -0.345 176.961 177.300 0.010 0.000 1.195 468 P CA 0.074 63.191 63.100 0.029 0.000 0.768 468 P CB 0.146 31.840 31.700 -0.010 0.000 0.838 469 F N 4.716 124.615 119.950 -0.085 0.000 2.572 469 F HA 0.285 4.812 4.527 -0.000 0.000 0.370 469 F C -0.048 175.672 175.800 -0.133 0.000 1.103 469 F CA 0.176 58.118 58.000 -0.097 0.000 1.286 469 F CB -0.097 38.856 39.000 -0.077 0.000 1.105 469 F HN 0.148 nan 8.300 nan 0.000 0.583 470 I N 8.404 128.387 120.570 -0.979 0.000 2.599 470 I HA 0.233 4.403 4.170 -0.000 0.000 0.285 470 I C -1.023 174.567 176.117 -0.878 0.000 1.168 470 I CA -0.341 60.454 61.300 -0.841 0.000 1.060 470 I CB 1.656 39.321 38.000 -0.558 0.000 1.249 470 I HN 0.630 nan 8.210 nan 0.000 0.442 471 M N 8.437 127.528 119.600 -0.849 0.000 2.035 471 M HA 0.491 4.971 4.480 -0.000 0.000 0.286 471 M C -2.810 173.348 176.300 -0.237 0.000 0.907 471 M CA -1.450 53.582 55.300 -0.447 0.000 0.935 471 M CB 2.200 34.635 32.600 -0.274 0.000 1.557 471 M HN 0.060 nan 8.290 nan 0.000 0.426 472 P HA 0.019 nan 4.420 nan 0.000 0.260 472 P C -0.388 176.942 177.300 0.050 0.000 1.207 472 P CA 0.086 63.191 63.100 0.008 0.000 0.780 472 P CB -0.147 31.624 31.700 0.118 0.000 0.789 473 I N 2.678 123.286 120.570 0.064 0.000 2.919 473 I HA -0.099 4.071 4.170 -0.000 0.000 0.303 473 I C 1.346 177.493 176.117 0.051 0.000 1.221 473 I CA 0.986 62.315 61.300 0.049 0.000 1.444 473 I CB -0.329 37.705 38.000 0.058 0.000 1.331 473 I HN 0.428 nan 8.210 nan 0.000 0.572 474 A N 4.511 127.344 122.820 0.022 0.000 2.548 474 A HA 0.428 4.748 4.320 -0.000 0.000 0.236 474 A C 0.464 178.056 177.584 0.013 0.000 1.246 474 A CA 0.023 52.079 52.037 0.032 0.000 0.993 474 A CB 0.434 19.463 19.000 0.048 0.000 1.209 474 A HN 0.634 nan 8.150 nan 0.000 0.570 475 S N -1.048 114.628 115.700 -0.040 0.000 2.560 475 S HA 0.291 4.761 4.470 -0.000 0.000 0.283 475 S C -0.145 174.352 174.600 -0.171 0.000 1.141 475 S CA -0.559 57.600 58.200 -0.067 0.000 0.902 475 S CB 1.614 64.794 63.200 -0.033 0.000 1.104 475 S HN 0.295 nan 8.310 nan 0.000 0.454 476 K N 1.227 121.569 120.400 -0.098 0.000 2.358 476 K HA 0.129 4.449 4.320 -0.000 0.000 0.197 476 K C -0.124 176.434 176.600 -0.070 0.000 1.025 476 K CA -0.161 56.069 56.287 -0.094 0.000 1.104 476 K CB 0.031 32.508 32.500 -0.039 0.000 0.855 476 K HN 0.692 nan 8.250 nan 0.000 0.531 477 Y N 0.948 121.252 120.300 0.007 0.000 2.788 477 Y HA 0.030 4.580 4.550 -0.000 0.000 0.341 477 Y C -0.039 175.864 175.900 0.005 0.000 1.258 477 Y CA -0.885 57.217 58.100 0.003 0.000 1.503 477 Y CB 0.205 38.666 38.460 0.001 0.000 1.325 477 Y HN -0.296 nan 8.280 nan 0.000 0.614 478 K N 2.317 122.864 120.400 0.246 0.000 2.148 478 K HA 0.315 4.634 4.320 -0.000 0.000 0.239 478 K C -0.353 176.348 176.600 0.169 0.000 1.018 478 K CA -0.375 55.999 56.287 0.145 0.000 0.923 478 K CB 1.361 33.910 32.500 0.082 0.000 1.117 478 K HN 0.991 nan 8.250 nan 0.000 0.477 479 D N -0.799 119.660 120.400 0.098 0.000 3.840 479 D HA -0.037 4.603 4.640 -0.000 0.000 0.136 479 D C 1.104 177.428 176.300 0.040 0.000 1.644 479 D CA -0.356 53.685 54.000 0.068 0.000 1.224 479 D CB -0.047 40.800 40.800 0.079 0.000 2.376 479 D HN 0.284 nan 8.370 nan 0.000 0.385 480 L N 0.366 121.611 121.223 0.037 0.000 2.079 480 L HA 0.131 4.471 4.340 -0.000 0.000 0.210 480 L C 1.131 178.024 176.870 0.037 0.000 1.081 480 L CA 2.632 57.494 54.840 0.036 0.000 0.752 480 L CB -0.359 41.730 42.059 0.049 0.000 0.896 480 L HN 0.453 nan 8.230 nan 0.000 0.433 481 G N -1.849 106.976 108.800 0.043 0.000 3.349 481 G HA2 0.204 4.164 3.960 -0.000 0.000 0.155 481 G HA3 0.204 4.164 3.960 -0.000 0.000 0.155 481 G C -0.842 174.079 174.900 0.035 0.000 1.219 481 G CA 0.274 45.395 45.100 0.035 0.000 1.356 481 G HN 0.160 nan 8.290 nan 0.000 0.687 482 T N 1.002 115.571 114.554 0.025 0.000 2.806 482 T HA 0.707 5.057 4.350 -0.000 0.000 0.290 482 T C -0.274 174.424 174.700 -0.003 0.000 0.966 482 T CA -0.309 61.796 62.100 0.008 0.000 1.060 482 T CB 1.732 70.603 68.868 0.004 0.000 0.927 482 T HN 0.310 nan 8.240 nan 0.000 0.485 483 I N 2.489 123.026 120.570 -0.056 0.000 2.910 483 I HA 0.554 4.724 4.170 -0.000 0.000 0.310 483 I C -0.357 175.649 176.117 -0.185 0.000 1.043 483 I CA -1.735 59.496 61.300 -0.114 0.000 1.053 483 I CB 1.857 39.740 38.000 -0.196 0.000 1.242 483 I HN 0.692 nan 8.210 nan 0.000 0.452 484 L N 2.658 123.785 121.223 -0.160 0.000 2.620 484 L HA 0.261 4.601 4.340 -0.000 0.000 0.261 484 L C -0.289 176.521 176.870 -0.099 0.000 0.978 484 L CA -0.523 54.237 54.840 -0.133 0.000 0.897 484 L CB 1.919 43.955 42.059 -0.040 0.000 1.207 484 L HN 0.656 nan 8.230 nan 0.000 0.425 485 E N 2.746 122.858 120.200 -0.147 0.000 2.371 485 E HA 0.795 5.145 4.350 -0.000 0.000 0.257 485 E C 0.021 176.621 176.600 0.001 0.000 1.134 485 E CA -0.071 56.305 56.400 -0.040 0.000 0.919 485 E CB 1.730 31.432 29.700 0.004 0.000 1.025 485 E HN 0.581 nan 8.360 nan 0.000 0.438 486 G N 1.306 110.121 108.800 0.025 0.000 2.386 486 G HA2 0.116 4.076 3.960 -0.000 0.000 0.302 486 G HA3 0.116 4.076 3.960 -0.000 0.000 0.302 486 G C -1.595 173.308 174.900 0.005 0.000 1.629 486 G CA -0.957 44.154 45.100 0.019 0.000 0.917 486 G HN 0.545 nan 8.290 nan 0.000 0.676 487 K N 2.088 122.470 120.400 -0.030 0.000 2.310 487 K HA 0.371 4.691 4.320 -0.000 0.000 0.290 487 K C 0.810 177.342 176.600 -0.114 0.000 1.077 487 K CA -0.552 55.687 56.287 -0.079 0.000 0.922 487 K CB 0.137 32.546 32.500 -0.153 0.000 1.057 487 K HN 0.414 nan 8.250 nan 0.000 0.479 488 I N 4.537 125.070 120.570 -0.061 0.000 2.741 488 I HA -0.116 4.053 4.170 -0.000 0.000 0.288 488 I C 1.190 177.217 176.117 -0.150 0.000 1.192 488 I CA 0.352 61.609 61.300 -0.072 0.000 1.426 488 I CB 0.515 38.575 38.000 0.100 0.000 1.367 488 I HN 0.651 nan 8.210 nan 0.000 0.563 489 E N 4.976 125.048 120.200 -0.214 0.000 2.460 489 E HA 0.329 4.679 4.350 -0.000 0.000 0.200 489 E C 0.106 176.631 176.600 -0.125 0.000 1.011 489 E CA 0.111 56.389 56.400 -0.203 0.000 0.912 489 E CB 0.922 30.489 29.700 -0.221 0.000 0.953 489 E HN 0.720 nan 8.360 nan 0.000 0.494 490 A N -0.331 122.409 122.820 -0.133 0.000 2.604 490 A HA 0.623 4.943 4.320 -0.000 0.000 0.295 490 A C 0.363 177.958 177.584 0.018 0.000 1.067 490 A CA -0.153 51.856 52.037 -0.048 0.000 0.683 490 A CB 0.961 19.916 19.000 -0.076 0.000 1.281 490 A HN 0.160 nan 8.150 nan 0.000 0.407 491 G N 0.374 109.206 108.800 0.053 0.000 2.601 491 G HA2 0.326 4.286 3.960 -0.000 0.000 0.261 491 G HA3 0.326 4.286 3.960 -0.000 0.000 0.261 491 G C 0.343 175.325 174.900 0.136 0.000 1.289 491 G CA 0.635 45.796 45.100 0.102 0.000 0.920 491 G HN 2.716 nan 8.290 nan 0.000 0.571 492 S N -1.561 114.208 115.700 0.114 0.000 2.588 492 S HA 0.767 5.237 4.470 -0.000 0.000 0.275 492 S C -0.960 173.451 174.600 -0.315 0.000 1.130 492 S CA -0.071 58.106 58.200 -0.038 0.000 0.855 492 S CB 2.453 65.613 63.200 -0.066 0.000 1.116 492 S HN 2.011 nan 8.310 nan 0.000 0.472 493 I N 0.823 121.130 120.570 -0.439 0.000 2.730 493 I HA 0.702 4.872 4.170 -0.000 0.000 0.298 493 I C -0.467 175.457 176.117 -0.322 0.000 1.089 493 I CA -0.573 60.343 61.300 -0.641 0.000 1.041 493 I CB 2.136 39.513 38.000 -1.038 0.000 1.235 493 I HN 1.017 nan 8.210 nan 0.000 0.423 494 K N 3.166 123.407 120.400 -0.266 0.000 1.841 494 K HA 0.558 4.878 4.320 -0.000 0.000 0.259 494 K C -0.952 175.561 176.600 -0.145 0.000 0.999 494 K CA -0.820 55.367 56.287 -0.166 0.000 1.053 494 K CB 1.061 33.482 32.500 -0.130 0.000 2.249 494 K HN 0.531 nan 8.250 nan 0.000 0.894 495 K N 0.680 121.013 120.400 -0.111 0.000 2.208 495 K HA 0.234 4.554 4.320 -0.000 0.000 0.247 495 K C -0.949 175.602 176.600 -0.081 0.000 0.953 495 K CA -0.271 55.958 56.287 -0.097 0.000 0.837 495 K CB 1.038 33.488 32.500 -0.084 0.000 1.131 495 K HN 0.591 nan 8.250 nan 0.000 0.431 496 N N 0.742 119.400 118.700 -0.069 0.000 2.710 496 N HA -0.165 4.575 4.740 -0.000 0.000 0.249 496 N C -1.575 173.900 175.510 -0.058 0.000 1.059 496 N CA 1.135 54.153 53.050 -0.054 0.000 0.720 496 N CB -1.128 37.334 38.487 -0.043 0.000 0.983 496 N HN 0.408 nan 8.380 nan 0.000 0.544 497 S N -0.080 115.574 115.700 -0.076 0.000 2.462 497 S HA 0.385 4.854 4.470 -0.000 0.000 0.294 497 S C 0.212 174.774 174.600 -0.064 0.000 1.144 497 S CA -1.007 57.142 58.200 -0.084 0.000 1.088 497 S CB 1.430 64.549 63.200 -0.135 0.000 1.009 497 S HN 0.148 nan 8.310 nan 0.000 0.484 498 N N 2.139 120.811 118.700 -0.046 0.000 2.514 498 N HA 0.417 5.157 4.740 -0.000 0.000 0.277 498 N C -0.393 175.108 175.510 -0.015 0.000 1.126 498 N CA -0.178 52.856 53.050 -0.026 0.000 0.978 498 N CB 1.592 40.067 38.487 -0.020 0.000 1.106 498 N HN 0.565 nan 8.380 nan 0.000 0.461 499 V N -0.127 119.791 119.914 0.006 0.000 2.925 499 V HA 0.540 4.660 4.120 -0.000 0.000 0.311 499 V C -0.573 175.541 176.094 0.034 0.000 1.104 499 V CA -1.098 61.230 62.300 0.046 0.000 0.954 499 V CB 1.900 33.782 31.823 0.099 0.000 1.022 499 V HN 0.364 nan 8.190 nan 0.000 0.427 500 L N 3.825 125.066 121.223 0.029 0.000 2.399 500 L HA 0.736 5.076 4.340 -0.000 0.000 0.266 500 L C -0.184 176.679 176.870 -0.011 0.000 1.114 500 L CA 0.112 54.949 54.840 -0.006 0.000 0.804 500 L CB 1.751 43.790 42.059 -0.033 0.000 1.146 500 L HN 0.700 nan 8.230 nan 0.000 0.451 501 V N 5.168 125.064 119.914 -0.030 0.000 2.350 501 V HA 0.461 4.581 4.120 -0.000 0.000 0.285 501 V C 0.041 176.052 176.094 -0.138 0.000 1.014 501 V CA -0.654 61.620 62.300 -0.043 0.000 0.831 501 V CB 1.218 33.050 31.823 0.015 0.000 1.000 501 V HN 0.641 nan 8.190 nan 0.000 0.433 502 M N 6.792 126.279 119.600 -0.187 0.000 2.537 502 M HA 0.493 4.973 4.480 -0.000 0.000 0.324 502 M C -1.870 174.126 176.300 -0.507 0.000 1.187 502 M CA -2.680 52.456 55.300 -0.273 0.000 0.993 502 M CB 2.169 34.654 32.600 -0.191 0.000 1.666 502 M HN 0.259 nan 8.290 nan 0.000 0.461 503 P HA 0.120 nan 4.420 nan 0.000 0.249 503 P C 0.889 178.010 177.300 -0.298 0.000 1.229 503 P CA 0.519 63.408 63.100 -0.352 0.000 0.788 503 P CB -0.466 31.078 31.700 -0.260 0.000 1.072 504 I N -4.090 116.257 120.570 -0.372 0.000 3.620 504 I HA 0.159 4.328 4.170 -0.000 0.000 0.305 504 I C 0.363 176.411 176.117 -0.114 0.000 1.243 504 I CA 0.008 61.192 61.300 -0.193 0.000 1.196 504 I CB -1.441 36.480 38.000 -0.132 0.000 1.004 504 I HN -0.198 nan 8.210 nan 0.000 0.487 505 N N 2.644 121.272 118.700 -0.120 0.000 2.685 505 N HA -0.282 4.457 4.740 -0.000 0.000 0.251 505 N C 0.036 175.513 175.510 -0.054 0.000 1.020 505 N CA 1.286 54.286 53.050 -0.082 0.000 0.762 505 N CB -0.953 37.492 38.487 -0.070 0.000 0.958 505 N HN 0.877 nan 8.380 nan 0.000 0.539 506 Q N -0.105 119.666 119.800 -0.048 0.000 2.347 506 Q HA 0.406 4.746 4.340 -0.000 0.000 0.262 506 Q C -0.585 175.406 176.000 -0.016 0.000 0.980 506 Q CA -0.526 55.264 55.803 -0.023 0.000 0.867 506 Q CB 0.837 29.571 28.738 -0.006 0.000 1.242 506 Q HN 0.231 nan 8.270 nan 0.000 0.453 507 T N 3.669 118.215 114.554 -0.013 0.000 2.898 507 T HA 0.504 4.854 4.350 -0.000 0.000 0.301 507 T C -0.295 174.405 174.700 -0.000 0.000 1.049 507 T CA -0.544 61.551 62.100 -0.008 0.000 1.095 507 T CB 0.459 69.321 68.868 -0.011 0.000 0.976 507 T HN 0.688 nan 8.240 nan 0.000 0.539 508 L N 1.112 122.337 121.223 0.003 0.000 2.847 508 L HA 0.303 4.642 4.340 -0.000 0.000 0.261 508 L C -0.910 175.962 176.870 0.003 0.000 0.926 508 L CA -0.517 54.327 54.840 0.007 0.000 1.010 508 L CB 1.733 43.802 42.059 0.016 0.000 1.538 508 L HN 0.675 nan 8.230 nan 0.000 0.465 509 E N 3.380 123.578 120.200 -0.003 0.000 2.283 509 E HA 0.410 4.760 4.350 -0.000 0.000 0.278 509 E C -1.191 175.401 176.600 -0.014 0.000 1.027 509 E CA -0.522 55.871 56.400 -0.012 0.000 0.843 509 E CB 1.848 31.540 29.700 -0.014 0.000 1.062 509 E HN 0.443 nan 8.360 nan 0.000 0.401 510 V N 3.459 123.355 119.914 -0.030 0.000 2.686 510 V HA 0.142 4.262 4.120 -0.000 0.000 0.295 510 V C 1.187 177.257 176.094 -0.041 0.000 1.057 510 V CA 0.321 62.599 62.300 -0.038 0.000 1.012 510 V CB 1.447 33.227 31.823 -0.071 0.000 1.006 510 V HN 0.974 nan 8.190 nan 0.000 0.477 511 T N -0.857 113.676 114.554 -0.036 0.000 2.992 511 T HA 0.604 4.954 4.350 -0.000 0.000 0.255 511 T C 0.175 174.843 174.700 -0.053 0.000 0.938 511 T CA 0.498 62.579 62.100 -0.032 0.000 0.895 511 T CB 0.661 69.526 68.868 -0.006 0.000 1.221 511 T HN 1.197 nan 8.240 nan 0.000 0.512 512 A N 0.930 123.707 122.820 -0.073 0.000 2.532 512 A HA 0.700 5.020 4.320 -0.000 0.000 0.296 512 A C -1.559 175.882 177.584 -0.238 0.000 1.058 512 A CA -0.870 51.064 52.037 -0.172 0.000 0.729 512 A CB 0.920 19.848 19.000 -0.119 0.000 1.285 512 A HN 0.382 nan 8.150 nan 0.000 0.396 513 I N 1.702 122.051 120.570 -0.367 0.000 2.441 513 I HA 0.529 4.699 4.170 -0.000 0.000 0.295 513 I C -1.097 174.729 176.117 -0.484 0.000 0.994 513 I CA -0.610 60.520 61.300 -0.283 0.000 1.144 513 I CB 1.634 39.532 38.000 -0.170 0.000 1.314 513 I HN 0.701 nan 8.210 nan 0.000 0.445 514 Y N 3.659 123.970 120.300 0.018 0.000 2.462 514 Y HA 0.261 4.811 4.550 -0.000 0.000 0.346 514 Y C 0.221 176.142 175.900 0.034 0.000 0.976 514 Y CA -0.887 57.231 58.100 0.030 0.000 1.044 514 Y CB 1.776 40.262 38.460 0.043 0.000 1.230 514 Y HN 0.602 nan 8.280 nan 0.000 0.455 515 D N 0.423 120.941 120.400 0.196 0.000 2.481 515 D HA 0.103 4.743 4.640 -0.000 0.000 0.283 515 D C -0.301 176.069 176.300 0.118 0.000 1.192 515 D CA -0.430 53.643 54.000 0.121 0.000 1.100 515 D CB 0.548 41.399 40.800 0.086 0.000 1.166 515 D HN 0.653 nan 8.370 nan 0.000 0.584 516 E N -1.081 119.170 120.200 0.086 0.000 2.320 516 E HA 0.331 4.681 4.350 -0.000 0.000 0.189 516 E C -0.323 176.315 176.600 0.063 0.000 1.100 516 E CA -0.197 56.245 56.400 0.071 0.000 1.009 516 E CB 0.401 30.135 29.700 0.057 0.000 1.145 516 E HN 0.447 nan 8.360 nan 0.000 0.454 517 A N 1.270 124.135 122.820 0.075 0.000 2.709 517 A HA 0.079 4.399 4.320 -0.000 0.000 0.241 517 A C -0.432 177.199 177.584 0.078 0.000 0.879 517 A CA -0.574 51.501 52.037 0.063 0.000 1.120 517 A CB 0.187 19.223 19.000 0.060 0.000 1.226 517 A HN 0.134 nan 8.150 nan 0.000 0.468 518 D N 1.166 121.615 120.400 0.082 0.000 2.916 518 D HA -0.191 4.449 4.640 -0.000 0.000 0.209 518 D C 0.073 176.484 176.300 0.185 0.000 1.255 518 D CA 1.528 55.576 54.000 0.079 0.000 0.627 518 D CB -0.201 40.559 40.800 -0.066 0.000 0.959 518 D HN 0.779 nan 8.370 nan 0.000 0.393 519 E N 0.562 120.933 120.200 0.284 0.000 2.218 519 E HA 0.143 4.493 4.350 -0.000 0.000 0.263 519 E C -0.411 176.315 176.600 0.210 0.000 0.879 519 E CA -0.632 55.914 56.400 0.243 0.000 0.762 519 E CB 1.320 31.095 29.700 0.124 0.000 1.166 519 E HN 0.124 nan 8.360 nan 0.000 0.415 520 E N 5.890 126.177 120.200 0.145 0.000 2.383 520 E HA 0.018 4.368 4.350 -0.000 0.000 0.257 520 E C -0.401 176.128 176.600 -0.119 0.000 1.079 520 E CA -0.018 56.261 56.400 -0.203 0.000 0.934 520 E CB 0.165 29.752 29.700 -0.189 0.000 0.978 520 E HN 0.442 nan 8.360 nan 0.000 0.462 521 I N 1.308 121.790 120.570 -0.146 0.000 2.525 521 I HA 0.246 4.416 4.170 -0.000 0.000 0.301 521 I C 1.111 177.163 176.117 -0.109 0.000 0.992 521 I CA -0.803 60.447 61.300 -0.084 0.000 1.162 521 I CB 1.875 39.849 38.000 -0.043 0.000 1.332 521 I HN 0.311 nan 8.210 nan 0.000 0.458 522 S N 3.117 118.773 115.700 -0.074 0.000 2.406 522 S HA -0.047 4.423 4.470 -0.000 0.000 0.228 522 S C 0.884 175.434 174.600 -0.083 0.000 1.020 522 S CA 1.134 59.288 58.200 -0.076 0.000 0.965 522 S CB -0.130 63.040 63.200 -0.050 0.000 0.798 522 S HN 0.956 nan 8.310 nan 0.000 0.488 523 S N -1.133 114.526 115.700 -0.069 0.000 2.794 523 S HA 0.772 5.242 4.470 -0.000 0.000 0.299 523 S C -0.768 173.796 174.600 -0.061 0.000 1.179 523 S CA -0.405 57.749 58.200 -0.076 0.000 0.838 523 S CB 1.643 64.808 63.200 -0.058 0.000 1.206 523 S HN 0.234 nan 8.310 nan 0.000 0.523 524 S N -0.337 115.323 115.700 -0.066 0.000 2.558 524 S HA 0.547 5.017 4.470 -0.000 0.000 0.277 524 S C -1.040 173.540 174.600 -0.034 0.000 1.143 524 S CA -0.622 57.558 58.200 -0.034 0.000 0.865 524 S CB 0.656 63.842 63.200 -0.023 0.000 1.102 524 S HN 1.190 nan 8.310 nan 0.000 0.454 525 I N 0.613 121.175 120.570 -0.014 0.000 3.474 525 I HA 0.805 4.974 4.170 -0.000 0.000 0.294 525 I C 0.663 176.777 176.117 -0.005 0.000 1.185 525 I CA -1.202 60.082 61.300 -0.028 0.000 1.003 525 I CB 0.696 38.646 38.000 -0.083 0.000 1.327 525 I HN 0.790 nan 8.210 nan 0.000 0.541 526 C N 0.519 119.801 119.300 -0.029 0.000 2.705 526 C HA 0.697 5.157 4.460 -0.000 0.000 0.382 526 C C 1.599 176.546 174.990 -0.071 0.000 1.322 526 C CA 0.373 59.366 59.018 -0.042 0.000 2.290 526 C CB -0.255 27.448 27.740 -0.062 0.000 2.650 526 C HN 1.479 nan 8.230 nan 0.000 0.695 527 G N 1.360 110.104 108.800 -0.094 0.000 2.347 527 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.247 527 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.247 527 G C -0.250 174.608 174.900 -0.069 0.000 1.037 527 G CA 0.705 45.745 45.100 -0.101 0.000 0.622 527 G HN 0.914 nan 8.290 nan 0.000 0.521 528 D N 0.345 120.723 120.400 -0.037 0.000 2.368 528 D HA 0.494 5.134 4.640 -0.000 0.000 0.240 528 D C 0.664 176.956 176.300 -0.012 0.000 1.169 528 D CA 0.400 54.394 54.000 -0.010 0.000 0.906 528 D CB 0.681 41.487 40.800 0.009 0.000 1.187 528 D HN 0.351 nan 8.370 nan 0.000 0.435 529 Q N 1.347 121.151 119.800 0.007 0.000 2.644 529 Q HA 0.364 4.704 4.340 -0.000 0.000 0.245 529 Q C -1.004 175.021 176.000 0.041 0.000 1.064 529 Q CA -0.642 55.169 55.803 0.014 0.000 0.860 529 Q CB 0.307 29.054 28.738 0.016 0.000 1.145 529 Q HN 0.346 nan 8.270 nan 0.000 0.515 530 V N 0.590 120.533 119.914 0.048 0.000 3.441 530 V HA 0.598 4.718 4.120 -0.000 0.000 0.300 530 V C 0.012 176.153 176.094 0.079 0.000 1.062 530 V CA -0.580 61.759 62.300 0.066 0.000 1.064 530 V CB 1.356 33.216 31.823 0.062 0.000 1.197 530 V HN 0.676 nan 8.190 nan 0.000 0.451 531 R N 0.636 121.197 120.500 0.102 0.000 2.638 531 R HA 0.417 4.757 4.340 -0.000 0.000 0.261 531 R C -0.989 175.383 176.300 0.119 0.000 1.515 531 R CA -0.587 55.579 56.100 0.109 0.000 1.623 531 R CB 0.792 31.196 30.300 0.174 0.000 1.347 531 R HN 0.690 nan 8.270 nan 0.000 0.705 532 L N 1.696 122.961 121.223 0.069 0.000 2.529 532 L HA 0.045 4.385 4.340 -0.000 0.000 0.287 532 L C 0.273 177.178 176.870 0.058 0.000 1.241 532 L CA 1.046 55.917 54.840 0.052 0.000 0.857 532 L CB 0.201 42.288 42.059 0.047 0.000 1.113 532 L HN 0.347 nan 8.230 nan 0.000 0.504 533 R N 4.186 124.723 120.500 0.062 0.000 2.476 533 R HA 0.679 5.019 4.340 -0.000 0.000 0.305 533 R C -1.582 174.738 176.300 0.034 0.000 0.965 533 R CA -0.649 55.493 56.100 0.070 0.000 0.867 533 R CB 1.344 31.734 30.300 0.150 0.000 1.176 533 R HN 0.576 nan 8.270 nan 0.000 0.447 534 V N 0.879 120.808 119.914 0.025 0.000 3.074 534 V HA 0.732 4.852 4.120 -0.000 0.000 0.314 534 V C -0.959 175.145 176.094 0.016 0.000 1.117 534 V CA -1.129 61.181 62.300 0.016 0.000 1.014 534 V CB 1.959 33.792 31.823 0.017 0.000 1.057 534 V HN 0.841 nan 8.190 nan 0.000 0.438 535 R N 1.174 121.681 120.500 0.012 0.000 2.514 535 R HA 0.758 5.098 4.340 -0.000 0.000 0.296 535 R C -0.311 175.995 176.300 0.009 0.000 1.012 535 R CA 0.534 56.640 56.100 0.011 0.000 0.897 535 R CB 1.484 31.790 30.300 0.009 0.000 1.184 535 R HN 1.898 nan 8.270 nan 0.000 0.440 536 G N 2.164 110.971 108.800 0.011 0.000 2.362 536 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.288 536 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.288 536 G C -1.580 173.328 174.900 0.013 0.000 1.305 536 G CA -0.750 44.356 45.100 0.010 0.000 0.910 536 G HN 0.502 nan 8.290 nan 0.000 0.518 537 D N 0.769 121.177 120.400 0.013 0.000 2.422 537 D HA 0.271 4.911 4.640 -0.000 0.000 0.263 537 D C 0.880 177.193 176.300 0.022 0.000 1.334 537 D CA 0.338 54.347 54.000 0.015 0.000 1.105 537 D CB -0.122 40.686 40.800 0.013 0.000 1.107 537 D HN 0.501 nan 8.370 nan 0.000 0.522 538 D N -0.390 120.023 120.400 0.022 0.000 2.587 538 D HA -0.010 4.630 4.640 -0.000 0.000 0.233 538 D C 1.001 177.317 176.300 0.026 0.000 1.213 538 D CA -0.371 53.646 54.000 0.028 0.000 0.827 538 D CB 0.166 40.980 40.800 0.022 0.000 1.006 538 D HN 0.081 nan 8.370 nan 0.000 0.490 539 S N -1.197 114.518 115.700 0.026 0.000 2.607 539 S HA -0.046 4.424 4.470 -0.000 0.000 0.224 539 S C 0.736 175.353 174.600 0.028 0.000 0.969 539 S CA -0.016 58.196 58.200 0.021 0.000 0.927 539 S CB 0.082 63.293 63.200 0.018 0.000 0.772 539 S HN 0.140 nan 8.310 nan 0.000 0.533 540 D N 0.708 121.137 120.400 0.049 0.000 2.620 540 D HA 0.282 4.922 4.640 -0.000 0.000 0.260 540 D C -0.982 175.390 176.300 0.120 0.000 1.367 540 D CA -0.048 54.001 54.000 0.081 0.000 0.805 540 D CB 1.391 42.255 40.800 0.107 0.000 1.096 540 D HN 0.189 nan 8.370 nan 0.000 0.488 541 V N 2.671 122.623 119.914 0.064 0.000 2.364 541 V HA 0.299 4.418 4.120 -0.000 0.000 0.272 541 V C 0.158 176.208 176.094 -0.073 0.000 1.036 541 V CA -0.233 62.106 62.300 0.066 0.000 0.880 541 V CB 1.233 33.093 31.823 0.061 0.000 0.991 541 V HN 0.100 nan 8.190 nan 0.000 0.460 542 Q N 2.739 122.383 119.800 -0.260 0.000 2.433 542 Q HA 0.658 4.998 4.340 -0.000 0.000 0.279 542 Q C -0.317 175.514 176.000 -0.282 0.000 1.105 542 Q CA -0.956 54.646 55.803 -0.334 0.000 0.815 542 Q CB 1.783 30.225 28.738 -0.493 0.000 1.403 542 Q HN 0.615 nan 8.270 nan 0.000 0.435 543 T N -1.313 113.142 114.554 -0.164 0.000 2.930 543 T HA 0.451 4.801 4.350 -0.000 0.000 0.306 543 T C 1.119 175.763 174.700 -0.093 0.000 1.045 543 T CA 0.498 62.549 62.100 -0.081 0.000 1.134 543 T CB 0.689 69.531 68.868 -0.042 0.000 0.961 543 T HN 1.307 nan 8.240 nan 0.000 0.545 544 G N 1.478 110.279 108.800 0.001 0.000 2.284 544 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 544 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 544 G C 0.174 175.217 174.900 0.239 0.000 1.009 544 G CA -0.244 44.870 45.100 0.023 0.000 0.625 544 G HN 0.821 nan 8.290 nan 0.000 0.501 545 Y N 0.201 120.528 120.300 0.046 0.000 2.279 545 Y HA 0.420 4.970 4.550 -0.000 0.000 0.350 545 Y C 0.828 176.760 175.900 0.053 0.000 1.288 545 Y CA -0.316 57.813 58.100 0.048 0.000 1.547 545 Y CB 1.056 39.523 38.460 0.012 0.000 1.381 545 Y HN 0.060 nan 8.280 nan 0.000 0.630 546 V N 2.962 122.956 119.914 0.133 0.000 2.638 546 V HA 0.234 4.354 4.120 -0.000 0.000 0.306 546 V C -0.321 175.736 176.094 -0.061 0.000 1.052 546 V CA -0.961 61.331 62.300 -0.015 0.000 0.885 546 V CB 1.734 33.478 31.823 -0.132 0.000 0.999 546 V HN 0.521 nan 8.190 nan 0.000 0.424 547 L N 3.566 124.737 121.223 -0.087 0.000 2.349 547 L HA 0.656 4.996 4.340 -0.000 0.000 0.275 547 L C 0.366 177.112 176.870 -0.206 0.000 1.115 547 L CA 0.531 55.335 54.840 -0.060 0.000 0.820 547 L CB 1.461 43.562 42.059 0.070 0.000 1.135 547 L HN 0.822 nan 8.230 nan 0.000 0.445 548 T N 0.630 115.151 114.554 -0.054 0.000 2.749 548 T HA 0.154 4.504 4.350 -0.000 0.000 0.310 548 T C -0.825 173.924 174.700 0.081 0.000 1.496 548 T CA -0.480 61.572 62.100 -0.080 0.000 1.006 548 T CB 1.823 70.587 68.868 -0.174 0.000 1.457 548 T HN 0.598 nan 8.240 nan 0.000 0.497 549 S N 1.000 116.741 115.700 0.069 0.000 2.537 549 S HA 0.149 4.619 4.470 -0.000 0.000 0.286 549 S C 1.838 176.441 174.600 0.005 0.000 1.299 549 S CA 0.827 59.064 58.200 0.061 0.000 1.067 549 S CB 0.442 63.665 63.200 0.039 0.000 0.864 549 S HN 0.984 nan 8.310 nan 0.000 0.494 550 T N 3.122 117.679 114.554 0.005 0.000 2.881 550 T HA -0.053 4.297 4.350 -0.000 0.000 0.270 550 T C 1.476 176.161 174.700 -0.025 0.000 1.068 550 T CA 0.755 62.846 62.100 -0.015 0.000 1.131 550 T CB -0.154 68.706 68.868 -0.013 0.000 0.871 550 T HN 0.607 nan 8.240 nan 0.000 0.479 551 K N 1.816 122.204 120.400 -0.020 0.000 2.029 551 K HA 0.165 4.485 4.320 -0.000 0.000 0.205 551 K C 0.635 177.214 176.600 -0.034 0.000 1.042 551 K CA 0.681 56.954 56.287 -0.024 0.000 0.949 551 K CB -0.183 32.308 32.500 -0.014 0.000 0.740 551 K HN 0.408 nan 8.250 nan 0.000 0.442 552 N N 2.533 121.214 118.700 -0.032 0.000 2.976 552 N HA 0.218 4.958 4.740 -0.000 0.000 0.255 552 N C -2.602 172.863 175.510 -0.076 0.000 1.312 552 N CA -1.061 51.961 53.050 -0.047 0.000 0.897 552 N CB 1.487 39.965 38.487 -0.016 0.000 1.184 552 N HN 0.106 nan 8.380 nan 0.000 0.497 553 P HA 0.032 nan 4.420 nan 0.000 0.274 553 P C 0.566 177.759 177.300 -0.178 0.000 1.237 553 P CA -0.301 62.718 63.100 -0.134 0.000 0.793 553 P CB 1.404 33.025 31.700 -0.131 0.000 0.977 554 V N 2.884 122.689 119.914 -0.181 0.000 3.032 554 V HA -0.082 4.038 4.120 -0.000 0.000 0.307 554 V C 0.406 176.431 176.094 -0.115 0.000 1.097 554 V CA 0.480 62.684 62.300 -0.160 0.000 1.191 554 V CB -0.651 31.034 31.823 -0.230 0.000 0.964 554 V HN 0.516 nan 8.190 nan 0.000 0.494 555 H N 3.302 122.286 119.070 -0.144 0.000 2.603 555 H HA 0.685 5.240 4.556 -0.000 0.000 0.370 555 H C 0.276 175.539 175.328 -0.108 0.000 1.225 555 H CA 0.475 56.462 56.048 -0.101 0.000 1.410 555 H CB 0.932 30.652 29.762 -0.071 0.000 1.495 555 H HN 0.989 nan 8.280 nan 0.000 0.602 556 A N 1.351 124.189 122.820 0.030 0.000 2.500 556 A HA 0.501 4.821 4.320 -0.000 0.000 0.288 556 A C -0.401 177.183 177.584 -0.001 0.000 1.045 556 A CA -0.402 51.624 52.037 -0.018 0.000 0.830 556 A CB 1.396 20.355 19.000 -0.067 0.000 1.337 556 A HN 0.629 nan 8.150 nan 0.000 0.400 557 T N -0.155 114.403 114.554 0.007 0.000 2.742 557 T HA 0.751 5.101 4.350 -0.000 0.000 0.282 557 T C 0.905 175.645 174.700 0.066 0.000 1.025 557 T CA 0.575 62.703 62.100 0.047 0.000 1.020 557 T CB 1.553 70.474 68.868 0.088 0.000 1.317 557 T HN 1.353 nan 8.240 nan 0.000 0.538 558 T N -0.585 114.032 114.554 0.106 0.000 3.058 558 T HA 0.474 4.824 4.350 -0.000 0.000 0.278 558 T C 0.161 174.952 174.700 0.151 0.000 0.974 558 T CA -0.408 61.767 62.100 0.123 0.000 0.893 558 T CB 0.215 69.115 68.868 0.054 0.000 1.138 558 T HN 0.418 nan 8.240 nan 0.000 0.529 559 R N 1.126 121.737 120.500 0.186 0.000 2.628 559 R HA 0.777 5.117 4.340 -0.000 0.000 0.288 559 R C -1.518 174.918 176.300 0.226 0.000 0.980 559 R CA -0.721 55.422 56.100 0.072 0.000 0.891 559 R CB 1.747 32.055 30.300 0.014 0.000 1.188 559 R HN 0.423 nan 8.270 nan 0.000 0.450 560 F N -0.749 119.172 119.950 -0.048 0.000 2.746 560 F HA 0.504 5.031 4.527 -0.000 0.000 0.311 560 F C -1.306 174.477 175.800 -0.028 0.000 1.135 560 F CA -1.413 56.569 58.000 -0.030 0.000 0.954 560 F CB 0.692 39.675 39.000 -0.028 0.000 1.276 560 F HN 0.239 nan 8.300 nan 0.000 0.440 561 I N 2.234 122.890 120.570 0.144 0.000 2.945 561 I HA 0.737 4.907 4.170 -0.000 0.000 0.292 561 I C 0.244 176.506 176.117 0.243 0.000 1.093 561 I CA -0.598 60.752 61.300 0.084 0.000 1.336 561 I CB 1.347 39.400 38.000 0.088 0.000 1.435 561 I HN 0.993 nan 8.210 nan 0.000 0.593 562 A N 3.569 126.498 122.820 0.182 0.000 2.583 562 A HA 0.338 4.658 4.320 -0.000 0.000 0.298 562 A C -1.251 176.460 177.584 0.212 0.000 1.055 562 A CA -0.774 51.447 52.037 0.307 0.000 0.714 562 A CB 1.105 20.493 19.000 0.646 0.000 1.277 562 A HN 0.651 nan 8.150 nan 0.000 0.406 563 Q N 1.273 121.154 119.800 0.136 0.000 2.307 563 Q HA 0.460 4.800 4.340 -0.000 0.000 0.259 563 Q C -0.795 175.248 176.000 0.072 0.000 0.998 563 Q CA 0.114 55.960 55.803 0.072 0.000 0.923 563 Q CB 0.883 29.614 28.738 -0.012 0.000 1.196 563 Q HN 0.553 nan 8.270 nan 0.000 0.416 564 I N 1.637 122.297 120.570 0.151 0.000 2.707 564 I HA 0.551 4.721 4.170 -0.000 0.000 0.309 564 I C -0.373 175.802 176.117 0.096 0.000 1.001 564 I CA -0.468 60.947 61.300 0.191 0.000 1.129 564 I CB 1.966 40.206 38.000 0.400 0.000 1.308 564 I HN 0.601 nan 8.210 nan 0.000 0.466 565 A N 5.177 128.034 122.820 0.063 0.000 2.375 565 A HA 0.777 5.097 4.320 -0.000 0.000 0.295 565 A C -0.881 176.734 177.584 0.051 0.000 1.066 565 A CA -0.423 51.626 52.037 0.020 0.000 0.722 565 A CB 0.449 19.407 19.000 -0.070 0.000 1.206 565 A HN 0.457 nan 8.150 nan 0.000 0.435 566 I N 1.868 122.474 120.570 0.060 0.000 2.823 566 I HA 0.337 4.506 4.170 -0.000 0.000 0.290 566 I C 0.967 177.109 176.117 0.042 0.000 1.091 566 I CA 0.429 61.770 61.300 0.069 0.000 1.365 566 I CB 0.719 38.759 38.000 0.067 0.000 1.427 566 I HN 0.761 nan 8.210 nan 0.000 0.583 567 L N 1.256 122.508 121.223 0.049 0.000 3.635 567 L HA 0.318 4.658 4.340 -0.000 0.000 0.185 567 L C 1.368 178.257 176.870 0.031 0.000 1.293 567 L CA -0.352 54.507 54.840 0.033 0.000 1.200 567 L CB -0.559 41.522 42.059 0.036 0.000 1.655 567 L HN 0.523 nan 8.230 nan 0.000 0.762 568 E N 0.825 121.047 120.200 0.036 0.000 4.472 568 E HA -0.043 4.307 4.350 -0.000 0.000 0.578 568 E C -0.325 176.286 176.600 0.018 0.000 0.804 568 E CA 0.578 56.994 56.400 0.026 0.000 3.893 568 E CB 0.008 29.726 29.700 0.031 0.000 2.177 568 E HN 0.246 nan 8.360 nan 0.000 0.334 569 L N -1.116 120.113 121.223 0.010 0.000 2.913 569 L HA 0.346 4.685 4.340 -0.000 0.000 0.283 569 L C -1.940 174.915 176.870 -0.026 0.000 1.336 569 L CA -0.857 53.979 54.840 -0.007 0.000 0.815 569 L CB 0.117 42.172 42.059 -0.008 0.000 1.188 569 L HN 0.193 nan 8.230 nan 0.000 0.551 570 P HA 0.173 nan 4.420 nan 0.000 0.204 570 P C 0.811 178.033 177.300 -0.131 0.000 1.215 570 P CA 1.168 64.220 63.100 -0.080 0.000 0.908 570 P CB 0.357 32.006 31.700 -0.085 0.000 0.738 571 S N -3.328 112.270 115.700 -0.170 0.000 1.801 571 S HA -0.056 4.414 4.470 -0.000 0.000 0.248 571 S C 0.337 174.715 174.600 -0.370 0.000 1.284 571 S CA -0.216 57.830 58.200 -0.258 0.000 1.132 571 S CB -1.739 61.304 63.200 -0.263 0.000 1.420 571 S HN 0.127 nan 8.310 nan 0.000 0.604 572 I N 4.978 125.325 120.570 -0.372 0.000 3.017 572 I HA -0.028 4.142 4.170 -0.000 0.000 0.310 572 I C 1.634 177.518 176.117 -0.390 0.000 1.220 572 I CA 0.542 61.542 61.300 -0.500 0.000 1.450 572 I CB -0.217 37.197 38.000 -0.977 0.000 1.317 572 I HN 0.498 nan 8.210 nan 0.000 0.570 573 L N 5.059 126.095 121.223 -0.311 0.000 2.822 573 L HA 0.446 4.786 4.340 -0.000 0.000 0.153 573 L C 0.756 177.587 176.870 -0.064 0.000 1.695 573 L CA -0.044 54.735 54.840 -0.101 0.000 2.336 573 L CB -0.911 41.114 42.059 -0.057 0.000 2.854 573 L HN 0.605 nan 8.230 nan 0.000 0.610 574 T N -0.546 114.020 114.554 0.020 0.000 3.030 574 T HA 0.181 4.531 4.350 -0.000 0.000 0.274 574 T C 0.219 174.968 174.700 0.083 0.000 1.187 574 T CA 0.843 62.974 62.100 0.051 0.000 0.949 574 T CB -0.392 68.522 68.868 0.076 0.000 2.268 574 T HN 0.919 nan 8.240 nan 0.000 0.554 575 T N 0.268 114.884 114.554 0.103 0.000 2.465 575 T HA 0.209 4.559 4.350 -0.000 0.000 0.243 575 T C 0.815 175.573 174.700 0.097 0.000 1.254 575 T CA 0.610 62.772 62.100 0.103 0.000 3.944 575 T CB -1.871 67.034 68.868 0.061 0.000 0.544 575 T HN 1.310 nan 8.240 nan 0.000 0.197 576 G N 0.678 109.567 108.800 0.148 0.000 3.442 576 G HA2 0.008 3.968 3.960 -0.000 0.000 0.224 576 G HA3 0.008 3.968 3.960 -0.000 0.000 0.224 576 G C -0.378 174.643 174.900 0.201 0.000 0.988 576 G CA -0.803 44.377 45.100 0.134 0.000 1.133 576 G HN 0.736 nan 8.290 nan 0.000 0.659 577 Y N 2.284 122.649 120.300 0.108 0.000 2.316 577 Y HA 0.524 5.074 4.550 -0.000 0.000 0.331 577 Y C -0.058 175.936 175.900 0.157 0.000 1.083 577 Y CA -0.517 57.629 58.100 0.077 0.000 1.206 577 Y CB 1.082 39.490 38.460 -0.087 0.000 1.195 577 Y HN 0.167 nan 8.280 nan 0.000 0.497 578 S N 6.114 122.038 115.700 0.374 0.000 2.474 578 S HA 0.571 5.040 4.470 -0.000 0.000 0.321 578 S C -0.658 173.936 174.600 -0.009 0.000 1.080 578 S CA -0.754 57.514 58.200 0.113 0.000 1.106 578 S CB 0.460 63.726 63.200 0.110 0.000 0.984 578 S HN 0.787 nan 8.310 nan 0.000 0.464 579 C N 0.469 119.702 119.300 -0.113 0.000 3.311 579 C HA 0.881 5.341 4.460 -0.000 0.000 0.366 579 C C -0.502 174.431 174.990 -0.096 0.000 1.694 579 C CA -0.897 58.042 59.018 -0.132 0.000 1.244 579 C CB 0.188 27.763 27.740 -0.275 0.000 2.038 579 C HN 0.519 nan 8.230 nan 0.000 0.436 580 V N 1.523 121.385 119.914 -0.086 0.000 2.483 580 V HA 0.524 4.643 4.120 -0.000 0.000 0.295 580 V C -0.041 175.934 176.094 -0.198 0.000 1.035 580 V CA -0.152 62.057 62.300 -0.153 0.000 0.896 580 V CB 1.418 33.159 31.823 -0.137 0.000 0.986 580 V HN 0.906 nan 8.190 nan 0.000 0.447 581 M N 4.443 123.873 119.600 -0.284 0.000 2.423 581 M HA 0.539 5.019 4.480 -0.000 0.000 0.335 581 M C -1.216 174.837 176.300 -0.412 0.000 1.177 581 M CA -0.390 54.771 55.300 -0.232 0.000 1.038 581 M CB 1.118 33.585 32.600 -0.222 0.000 1.641 581 M HN 0.705 nan 8.290 nan 0.000 0.455 582 H N 6.179 125.262 119.070 0.023 0.000 2.906 582 H HA 0.346 4.902 4.556 -0.000 0.000 0.324 582 H C -0.032 175.322 175.328 0.044 0.000 0.973 582 H CA -0.279 55.765 56.048 -0.007 0.000 1.321 582 H CB 1.303 31.069 29.762 0.006 0.000 1.535 582 H HN 0.734 nan 8.280 nan 0.000 0.518 583 I N 1.080 121.686 120.570 0.059 0.000 2.899 583 I HA -0.041 4.129 4.170 -0.000 0.000 0.257 583 I C 1.742 177.952 176.117 0.154 0.000 1.115 583 I CA 0.185 61.578 61.300 0.155 0.000 1.451 583 I CB 0.077 38.192 38.000 0.191 0.000 1.251 583 I HN 0.504 nan 8.210 nan 0.000 0.456 584 H N 0.487 119.606 119.070 0.082 0.000 3.699 584 H HA 0.208 4.764 4.556 -0.000 0.000 0.154 584 H C 1.221 176.616 175.328 0.111 0.000 1.184 584 H CA 1.123 57.231 56.048 0.101 0.000 1.208 584 H CB -0.367 29.469 29.762 0.123 0.000 1.363 584 H HN 0.152 nan 8.280 nan 0.000 0.384 585 T N -1.427 113.061 114.554 -0.112 0.000 3.252 585 T HA 0.647 4.997 4.350 -0.000 0.000 0.286 585 T C 1.243 175.853 174.700 -0.150 0.000 1.013 585 T CA 0.215 62.295 62.100 -0.033 0.000 0.914 585 T CB 0.078 68.996 68.868 0.083 0.000 1.131 585 T HN 0.541 nan 8.240 nan 0.000 0.529 586 A N 1.815 124.406 122.820 -0.382 0.000 1.819 586 A HA 0.484 4.803 4.320 -0.000 0.000 0.215 586 A C 1.151 178.648 177.584 -0.145 0.000 1.226 586 A CA 1.090 52.931 52.037 -0.327 0.000 0.608 586 A CB -0.825 17.910 19.000 -0.442 0.000 0.877 586 A HN 1.219 nan 8.150 nan 0.000 0.452 587 V N 0.123 119.937 119.914 -0.166 0.000 5.357 587 V HA -0.098 4.022 4.120 -0.000 0.000 0.346 587 V C -0.606 175.382 176.094 -0.178 0.000 0.613 587 V CA 0.955 63.122 62.300 -0.222 0.000 1.319 587 V CB -2.107 29.672 31.823 -0.073 0.000 1.571 587 V HN 0.862 nan 8.190 nan 0.000 0.485 588 E N 1.316 121.397 120.200 -0.198 0.000 2.340 588 E HA 0.672 5.022 4.350 -0.000 0.000 0.273 588 E C -0.319 176.203 176.600 -0.131 0.000 0.891 588 E CA -0.928 55.397 56.400 -0.125 0.000 0.757 588 E CB 1.788 31.445 29.700 -0.072 0.000 1.231 588 E HN 0.589 nan 8.360 nan 0.000 0.439 589 E N 1.205 121.352 120.200 -0.088 0.000 2.502 589 E HA 0.249 4.599 4.350 -0.000 0.000 0.261 589 E C -1.322 175.231 176.600 -0.079 0.000 0.974 589 E CA 0.326 56.682 56.400 -0.074 0.000 0.936 589 E CB 0.573 30.248 29.700 -0.042 0.000 0.926 589 E HN 0.216 nan 8.360 nan 0.000 0.459 590 V N 4.490 124.345 119.914 -0.098 0.000 2.610 590 V HA 0.401 4.520 4.120 -0.000 0.000 0.298 590 V C -1.391 174.625 176.094 -0.131 0.000 1.067 590 V CA -0.179 62.041 62.300 -0.134 0.000 0.894 590 V CB 1.922 33.624 31.823 -0.200 0.000 1.015 590 V HN 0.766 nan 8.190 nan 0.000 0.432 591 S N 6.613 122.247 115.700 -0.111 0.000 2.433 591 S HA 0.629 5.099 4.470 -0.000 0.000 0.310 591 S C -0.567 174.001 174.600 -0.053 0.000 1.097 591 S CA -0.476 57.713 58.200 -0.019 0.000 1.103 591 S CB 0.928 64.134 63.200 0.009 0.000 0.992 591 S HN 0.563 nan 8.310 nan 0.000 0.469 592 F N 2.495 122.414 119.950 -0.052 0.000 2.590 592 F HA 0.335 4.862 4.527 -0.000 0.000 0.389 592 F C 1.084 176.871 175.800 -0.023 0.000 1.049 592 F CA 0.426 58.407 58.000 -0.032 0.000 1.199 592 F CB 0.116 39.155 39.000 0.065 0.000 1.058 592 F HN 0.834 nan 8.300 nan 0.000 0.556 593 A N 4.205 127.050 122.820 0.041 0.000 2.616 593 A HA 0.513 4.833 4.320 -0.000 0.000 0.253 593 A C -0.387 177.218 177.584 0.034 0.000 1.239 593 A CA -1.082 50.968 52.037 0.022 0.000 0.914 593 A CB 0.499 19.469 19.000 -0.050 0.000 1.454 593 A HN 0.663 nan 8.150 nan 0.000 0.460 594 K N 0.869 121.275 120.400 0.011 0.000 2.189 594 K HA -0.106 4.214 4.320 -0.000 0.000 0.242 594 K C -0.580 176.033 176.600 0.021 0.000 1.381 594 K CA 0.102 56.397 56.287 0.012 0.000 1.357 594 K CB -1.289 31.209 32.500 -0.003 0.000 0.735 594 K HN 0.279 nan 8.250 nan 0.000 0.517 595 L N 2.787 124.039 121.223 0.049 0.000 2.367 595 L HA 0.047 4.387 4.340 -0.000 0.000 0.215 595 L C 1.704 178.597 176.870 0.038 0.000 1.197 595 L CA 0.585 55.466 54.840 0.068 0.000 0.836 595 L CB -0.048 42.061 42.059 0.085 0.000 1.242 595 L HN 0.820 nan 8.230 nan 0.000 0.553 596 L N -3.207 118.045 121.223 0.048 0.000 1.768 596 L HA 0.169 4.509 4.340 -0.000 0.000 0.178 596 L C -0.660 176.085 176.870 -0.208 0.000 1.256 596 L CA -0.181 54.657 54.840 -0.002 0.000 1.175 596 L CB 0.480 42.664 42.059 0.209 0.000 2.460 596 L HN 0.636 nan 8.230 nan 0.000 0.499 597 H N -1.262 117.822 119.070 0.023 0.000 2.943 597 H HA 0.503 5.059 4.556 -0.000 0.000 0.323 597 H C -0.998 174.339 175.328 0.014 0.000 1.296 597 H CA -0.574 55.481 56.048 0.012 0.000 1.155 597 H CB 1.774 31.542 29.762 0.011 0.000 1.882 597 H HN -0.193 nan 8.280 nan 0.000 0.553 598 K N 0.199 120.691 120.400 0.153 0.000 2.246 598 K HA 0.727 5.047 4.320 -0.000 0.000 0.239 598 K C -1.423 175.217 176.600 0.066 0.000 1.089 598 K CA -0.720 55.611 56.287 0.074 0.000 0.892 598 K CB 1.543 34.057 32.500 0.023 0.000 1.334 598 K HN 0.417 nan 8.250 nan 0.000 0.507 599 L N 0.540 121.783 121.223 0.033 0.000 2.506 599 L HA 0.343 4.682 4.340 -0.000 0.000 0.257 599 L C -1.751 175.121 176.870 0.005 0.000 0.964 599 L CA -0.813 54.037 54.840 0.016 0.000 0.836 599 L CB 2.380 44.442 42.059 0.005 0.000 1.384 599 L HN 0.637 nan 8.230 nan 0.000 0.410 600 D N 1.526 121.926 120.400 0.000 0.000 2.365 600 D HA 0.378 5.018 4.640 -0.000 0.000 0.235 600 D C 0.078 176.375 176.300 -0.004 0.000 1.368 600 D CA -0.276 53.723 54.000 -0.003 0.000 1.001 600 D CB 1.253 42.052 40.800 -0.001 0.000 1.364 600 D HN 0.451 nan 8.370 nan 0.000 0.577 601 K N 0.253 120.648 120.400 -0.008 0.000 11.155 601 K HA -0.247 4.072 4.320 -0.000 0.000 0.529 601 K C 0.980 177.576 176.600 -0.006 0.000 0.388 601 K CA 2.656 58.938 56.287 -0.007 0.000 1.934 601 K CB -1.860 30.638 32.500 -0.004 0.000 0.783 601 K HN 0.547 nan 8.250 nan 0.000 1.245 602 T N -0.298 114.255 114.554 -0.002 0.000 3.500 602 T HA 0.198 4.548 4.350 -0.000 0.000 0.244 602 T C 0.102 174.800 174.700 -0.002 0.000 0.962 602 T CA 0.417 62.517 62.100 0.000 0.000 0.932 602 T CB -0.428 68.442 68.868 0.004 0.000 1.096 602 T HN 0.343 nan 8.240 nan 0.000 0.617 603 N N 1.930 120.625 118.700 -0.008 0.000 2.699 603 N HA -0.169 4.571 4.740 -0.000 0.000 0.256 603 N C 0.944 176.448 175.510 -0.011 0.000 0.993 603 N CA 0.284 53.326 53.050 -0.013 0.000 0.759 603 N CB -0.428 38.051 38.487 -0.015 0.000 0.906 603 N HN 0.579 nan 8.380 nan 0.000 0.541 604 R N 0.744 121.241 120.500 -0.005 0.000 1.966 604 R HA 0.054 4.394 4.340 -0.000 0.000 0.170 604 R C 1.552 177.849 176.300 -0.004 0.000 1.036 604 R CA 1.740 57.840 56.100 -0.001 0.000 1.316 604 R CB -0.074 30.230 30.300 0.006 0.000 0.696 604 R HN 0.660 nan 8.270 nan 0.000 0.572 605 K N -2.555 117.856 120.400 0.018 0.000 4.915 605 K HA 0.069 4.389 4.320 -0.000 0.000 0.681 605 K C -1.298 175.369 176.600 0.112 0.000 0.780 605 K CA -0.149 56.164 56.287 0.044 0.000 0.942 605 K CB -0.146 32.348 32.500 -0.011 0.000 1.916 605 K HN 0.530 nan 8.250 nan 0.000 0.928 606 S N -0.811 115.004 115.700 0.191 0.000 2.735 606 S HA 0.300 4.770 4.470 -0.000 0.000 0.279 606 S C -0.857 173.820 174.600 0.127 0.000 0.989 606 S CA -0.696 57.575 58.200 0.119 0.000 0.883 606 S CB 1.244 64.478 63.200 0.057 0.000 1.117 606 S HN 0.599 nan 8.310 nan 0.000 0.458 607 K N 0.135 120.553 120.400 0.029 0.000 2.334 607 K HA 0.241 4.561 4.320 -0.000 0.000 0.195 607 K C 0.383 176.938 176.600 -0.075 0.000 1.045 607 K CA 0.188 56.473 56.287 -0.004 0.000 1.004 607 K CB 0.203 32.706 32.500 0.005 0.000 0.837 607 K HN 0.529 nan 8.250 nan 0.000 0.510 608 K N 2.497 122.846 120.400 -0.084 0.000 2.316 608 K HA 0.225 4.545 4.320 -0.000 0.000 0.267 608 K C -2.725 173.792 176.600 -0.138 0.000 1.025 608 K CA -2.407 53.819 56.287 -0.101 0.000 0.896 608 K CB 1.085 33.539 32.500 -0.077 0.000 1.124 608 K HN -0.282 nan 8.250 nan 0.000 0.451 609 P HA 0.003 nan 4.420 nan 0.000 0.253 609 P C -2.478 174.758 177.300 -0.107 0.000 1.170 609 P CA -0.613 62.396 63.100 -0.153 0.000 0.806 609 P CB -0.134 31.493 31.700 -0.123 0.000 0.775 610 P HA -0.102 nan 4.420 nan 0.000 0.263 610 P C 0.823 178.043 177.300 -0.133 0.000 1.168 610 P CA 0.419 63.442 63.100 -0.128 0.000 0.759 610 P CB 0.313 31.960 31.700 -0.089 0.000 0.782 611 M N 3.914 123.372 119.600 -0.237 0.000 2.065 611 M HA -0.018 4.462 4.480 -0.000 0.000 0.259 611 M C 0.881 177.151 176.300 -0.050 0.000 1.071 611 M CA 2.038 57.224 55.300 -0.190 0.000 1.109 611 M CB -1.077 31.309 32.600 -0.357 0.000 1.313 611 M HN 0.462 nan 8.290 nan 0.000 0.408 612 F N -3.182 116.745 119.950 -0.039 0.000 3.049 612 F HA 0.901 5.428 4.527 -0.000 0.000 0.329 612 F C -0.725 175.044 175.800 -0.052 0.000 1.208 612 F CA -1.807 56.158 58.000 -0.058 0.000 0.956 612 F CB 0.302 39.255 39.000 -0.079 0.000 1.469 612 F HN -0.051 nan 8.300 nan 0.000 0.516 613 A N -0.463 122.547 122.820 0.317 0.000 2.486 613 A HA 0.939 5.259 4.320 -0.000 0.000 0.277 613 A C -0.482 177.246 177.584 0.240 0.000 1.282 613 A CA -0.284 51.869 52.037 0.193 0.000 0.784 613 A CB 1.255 20.297 19.000 0.069 0.000 1.350 613 A HN 1.596 nan 8.150 nan 0.000 0.454 614 T N -1.034 113.595 114.554 0.125 0.000 2.786 614 T HA 0.174 4.524 4.350 -0.000 0.000 0.301 614 T C -1.280 173.455 174.700 0.059 0.000 1.846 614 T CA -0.014 62.128 62.100 0.070 0.000 1.002 614 T CB -0.059 68.841 68.868 0.053 0.000 1.986 614 T HN 1.469 nan 8.240 nan 0.000 0.527 615 K N 1.378 121.799 120.400 0.034 0.000 2.354 615 K HA 0.059 4.379 4.320 -0.000 0.000 0.239 615 K C 0.642 177.261 176.600 0.032 0.000 1.175 615 K CA 1.857 58.160 56.287 0.027 0.000 1.193 615 K CB -1.333 31.176 32.500 0.016 0.000 0.732 615 K HN 1.778 nan 8.250 nan 0.000 0.525 616 G N 3.725 112.540 108.800 0.025 0.000 2.756 616 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.272 616 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.272 616 G C -0.466 174.447 174.900 0.021 0.000 1.128 616 G CA -0.002 45.109 45.100 0.018 0.000 1.145 616 G HN 0.572 nan 8.290 nan 0.000 0.545 617 M N -0.957 118.656 119.600 0.021 0.000 2.724 617 M HA 0.431 4.911 4.480 -0.000 0.000 0.280 617 M C -1.294 175.023 176.300 0.027 0.000 1.090 617 M CA -0.789 54.525 55.300 0.024 0.000 0.838 617 M CB 2.002 34.624 32.600 0.036 0.000 1.729 617 M HN 0.239 nan 8.290 nan 0.000 0.530 618 K N 1.897 122.313 120.400 0.026 0.000 2.512 618 K HA 0.917 5.237 4.320 -0.000 0.000 0.263 618 K C -1.462 175.172 176.600 0.056 0.000 0.966 618 K CA -0.683 55.625 56.287 0.034 0.000 0.851 618 K CB 3.003 35.501 32.500 -0.003 0.000 1.395 618 K HN 0.686 nan 8.250 nan 0.000 0.440 619 I N 0.154 120.774 120.570 0.084 0.000 2.897 619 I HA 0.427 4.597 4.170 -0.000 0.000 0.299 619 I C -1.552 174.642 176.117 0.129 0.000 1.527 619 I CA -1.015 60.354 61.300 0.114 0.000 0.979 619 I CB 1.652 39.736 38.000 0.140 0.000 1.360 619 I HN 0.744 nan 8.210 nan 0.000 0.495 620 I N 3.791 124.442 120.570 0.135 0.000 2.578 620 I HA 0.749 4.919 4.170 -0.000 0.000 0.284 620 I C -0.101 176.094 176.117 0.131 0.000 1.156 620 I CA -0.282 61.090 61.300 0.119 0.000 1.165 620 I CB 0.555 38.594 38.000 0.064 0.000 1.567 620 I HN 0.575 nan 8.210 nan 0.000 0.546 621 A N 4.156 127.050 122.820 0.122 0.000 2.279 621 A HA 0.417 4.737 4.320 -0.000 0.000 0.303 621 A C -0.044 177.500 177.584 -0.066 0.000 1.108 621 A CA -0.551 51.529 52.037 0.072 0.000 0.830 621 A CB 0.779 19.879 19.000 0.166 0.000 1.106 621 A HN 0.767 nan 8.150 nan 0.000 0.493 622 E N 1.086 121.222 120.200 -0.107 0.000 2.130 622 E HA 0.440 4.790 4.350 -0.000 0.000 0.284 622 E C -1.476 174.881 176.600 -0.405 0.000 1.018 622 E CA -0.462 55.795 56.400 -0.237 0.000 0.817 622 E CB 0.365 29.985 29.700 -0.133 0.000 1.078 622 E HN 0.419 nan 8.360 nan 0.000 0.396 623 L N 3.868 124.624 121.223 -0.779 0.000 2.331 623 L HA 0.409 4.749 4.340 -0.000 0.000 0.275 623 L C -0.011 176.433 176.870 -0.710 0.000 1.022 623 L CA -0.309 54.025 54.840 -0.843 0.000 0.812 623 L CB 1.682 43.074 42.059 -1.111 0.000 1.257 623 L HN 0.573 nan 8.230 nan 0.000 0.435 624 E N 0.233 120.206 120.200 -0.377 0.000 2.222 624 E HA 0.575 4.925 4.350 -0.000 0.000 0.267 624 E C -0.910 175.628 176.600 -0.103 0.000 0.884 624 E CA -0.600 55.691 56.400 -0.182 0.000 0.764 624 E CB 2.134 31.769 29.700 -0.108 0.000 1.169 624 E HN 0.672 nan 8.360 nan 0.000 0.413 625 T N -0.351 114.196 114.554 -0.012 0.000 2.918 625 T HA 0.199 4.549 4.350 -0.000 0.000 0.286 625 T C 0.739 175.440 174.700 0.001 0.000 1.026 625 T CA -0.836 61.264 62.100 0.001 0.000 1.031 625 T CB 1.723 70.616 68.868 0.043 0.000 1.046 625 T HN 0.163 nan 8.240 nan 0.000 0.479 626 Q N 0.953 120.750 119.800 -0.004 0.000 2.311 626 Q HA 0.145 4.485 4.340 -0.000 0.000 0.203 626 Q C 0.869 176.874 176.000 0.010 0.000 0.954 626 Q CA 0.873 56.677 55.803 0.001 0.000 0.885 626 Q CB -0.111 28.627 28.738 -0.001 0.000 0.963 626 Q HN 0.982 nan 8.270 nan 0.000 0.471 627 T N -2.146 112.417 114.554 0.015 0.000 2.916 627 T HA 0.554 4.904 4.350 -0.000 0.000 0.298 627 T C -2.894 171.823 174.700 0.029 0.000 1.031 627 T CA -2.240 59.875 62.100 0.024 0.000 0.993 627 T CB 2.463 71.352 68.868 0.035 0.000 1.045 627 T HN -0.275 nan 8.240 nan 0.000 0.454 628 P HA 0.348 nan 4.420 nan 0.000 0.268 628 P C -0.864 176.445 177.300 0.016 0.000 1.208 628 P CA -0.463 62.643 63.100 0.010 0.000 0.777 628 P CB 0.580 32.269 31.700 -0.019 0.000 0.875 629 V N 3.255 123.169 119.914 0.000 0.000 2.891 629 V HA 0.281 4.401 4.120 -0.000 0.000 0.304 629 V C -1.054 175.041 176.094 0.003 0.000 1.171 629 V CA -0.703 61.606 62.300 0.016 0.000 0.943 629 V CB 1.517 33.333 31.823 -0.012 0.000 1.037 629 V HN 0.605 nan 8.190 nan 0.000 0.427 630 C N 8.492 127.831 119.300 0.065 0.000 2.632 630 C HA 0.740 5.200 4.460 -0.000 0.000 0.415 630 C C 0.345 175.348 174.990 0.021 0.000 1.332 630 C CA -0.239 58.788 59.018 0.015 0.000 1.874 630 C CB -1.031 26.691 27.740 -0.030 0.000 2.596 630 C HN 0.985 nan 8.230 nan 0.000 0.590 631 M N 1.742 121.305 119.600 -0.062 0.000 2.732 631 M HA 0.695 5.175 4.480 -0.000 0.000 0.272 631 M C -1.656 174.590 176.300 -0.090 0.000 1.203 631 M CA -0.499 54.748 55.300 -0.089 0.000 0.841 631 M CB 1.988 34.479 32.600 -0.181 0.000 1.685 631 M HN 0.423 nan 8.290 nan 0.000 0.492 632 E N 0.678 120.837 120.200 -0.069 0.000 2.429 632 E HA 0.479 4.829 4.350 -0.000 0.000 0.276 632 E C -1.397 175.205 176.600 0.003 0.000 0.953 632 E CA -0.983 55.385 56.400 -0.054 0.000 0.787 632 E CB 2.435 32.165 29.700 0.050 0.000 1.307 632 E HN 0.684 nan 8.360 nan 0.000 0.458 633 R N 1.008 121.502 120.500 -0.010 0.000 2.480 633 R HA 0.008 4.348 4.340 -0.000 0.000 0.303 633 R C 1.131 177.473 176.300 0.069 0.000 0.985 633 R CA 0.026 56.146 56.100 0.033 0.000 1.051 633 R CB -0.029 30.264 30.300 -0.013 0.000 0.935 633 R HN 0.523 nan 8.270 nan 0.000 0.410 634 F N 3.215 123.138 119.950 -0.044 0.000 2.111 634 F HA -0.339 4.188 4.527 -0.000 0.000 0.300 634 F C 2.212 177.945 175.800 -0.112 0.000 1.088 634 F CA 2.180 60.134 58.000 -0.076 0.000 1.243 634 F CB 0.013 38.957 39.000 -0.093 0.000 0.996 634 F HN 0.651 nan 8.300 nan 0.000 0.483 635 E N -0.176 120.046 120.200 0.036 0.000 2.130 635 E HA -0.259 4.091 4.350 -0.000 0.000 0.196 635 E C 1.541 177.981 176.600 -0.265 0.000 0.998 635 E CA 1.824 58.151 56.400 -0.122 0.000 0.806 635 E CB -0.145 29.518 29.700 -0.061 0.000 0.738 635 E HN 0.528 nan 8.360 nan 0.000 0.459 636 D N -1.077 119.176 120.400 -0.246 0.000 2.214 636 D HA -0.056 4.584 4.640 -0.000 0.000 0.217 636 D C 0.033 175.943 176.300 -0.649 0.000 0.973 636 D CA 1.075 54.821 54.000 -0.423 0.000 0.880 636 D CB 0.006 40.638 40.800 -0.279 0.000 1.031 636 D HN 0.189 nan 8.370 nan 0.000 0.468 637 Y N 1.437 121.614 120.300 -0.205 0.000 2.662 637 Y HA 0.224 4.774 4.550 -0.000 0.000 0.358 637 Y C 1.247 176.992 175.900 -0.258 0.000 1.041 637 Y CA -0.580 57.394 58.100 -0.210 0.000 1.184 637 Y CB 0.625 38.993 38.460 -0.152 0.000 1.114 637 Y HN -0.173 nan 8.280 nan 0.000 0.650 638 Q N 0.200 119.757 119.800 -0.405 0.000 1.992 638 Q HA -0.357 3.983 4.340 -0.000 0.000 0.216 638 Q C 1.183 177.064 176.000 -0.199 0.000 1.047 638 Q CA 2.693 58.005 55.803 -0.820 0.000 0.899 638 Q CB -0.513 27.601 28.738 -1.040 0.000 1.021 638 Q HN 0.747 nan 8.270 nan 0.000 0.421 639 Y N 0.378 120.563 120.300 -0.191 0.000 2.030 639 Y HA -0.285 4.265 4.550 -0.000 0.000 0.272 639 Y C 2.376 178.280 175.900 0.007 0.000 1.185 639 Y CA 1.842 59.906 58.100 -0.059 0.000 1.120 639 Y CB -0.347 38.076 38.460 -0.062 0.000 0.955 639 Y HN 0.241 nan 8.280 nan 0.000 0.495 640 M N -0.992 118.691 119.600 0.139 0.000 2.706 640 M HA -0.061 4.419 4.480 -0.000 0.000 0.253 640 M C 1.467 177.815 176.300 0.080 0.000 1.063 640 M CA 1.365 56.684 55.300 0.032 0.000 1.067 640 M CB -1.512 31.040 32.600 -0.079 0.000 1.423 640 M HN 0.377 nan 8.290 nan 0.000 0.530 641 G N -0.170 108.713 108.800 0.137 0.000 4.238 641 G HA2 0.245 4.205 3.960 -0.000 0.000 0.292 641 G HA3 0.245 4.205 3.960 -0.000 0.000 0.292 641 G C 0.175 175.199 174.900 0.207 0.000 1.036 641 G CA -0.447 44.768 45.100 0.191 0.000 0.812 641 G HN 0.310 nan 8.290 nan 0.000 0.489 642 R N 0.952 121.523 120.500 0.119 0.000 2.358 642 R HA 0.534 4.874 4.340 -0.000 0.000 0.309 642 R C -1.010 175.282 176.300 -0.014 0.000 1.026 642 R CA -0.698 55.339 56.100 -0.105 0.000 0.909 642 R CB 0.358 30.499 30.300 -0.265 0.000 1.153 642 R HN 0.148 nan 8.270 nan 0.000 0.515 643 F N 0.586 120.564 119.950 0.045 0.000 2.575 643 F HA 0.761 5.288 4.527 -0.000 0.000 0.330 643 F C -0.498 175.366 175.800 0.107 0.000 1.056 643 F CA -0.953 57.086 58.000 0.065 0.000 0.964 643 F CB 1.599 40.631 39.000 0.053 0.000 1.258 643 F HN 0.265 nan 8.300 nan 0.000 0.484 644 T N -0.024 114.788 114.554 0.430 0.000 2.903 644 T HA 0.741 5.091 4.350 -0.000 0.000 0.299 644 T C -1.319 173.588 174.700 0.345 0.000 1.093 644 T CA -0.906 61.398 62.100 0.339 0.000 1.002 644 T CB 1.581 70.567 68.868 0.198 0.000 1.127 644 T HN 0.830 nan 8.240 nan 0.000 0.488 645 L N 2.229 123.614 121.223 0.269 0.000 2.319 645 L HA 0.625 4.965 4.340 -0.000 0.000 0.281 645 L C 0.505 177.460 176.870 0.141 0.000 1.005 645 L CA -0.986 53.959 54.840 0.175 0.000 0.828 645 L CB 1.509 43.663 42.059 0.159 0.000 1.227 645 L HN 0.495 nan 8.230 nan 0.000 0.415 646 R N 1.610 122.190 120.500 0.134 0.000 2.604 646 R HA 0.422 4.762 4.340 -0.000 0.000 0.287 646 R C -1.238 175.101 176.300 0.065 0.000 0.970 646 R CA -0.804 55.367 56.100 0.118 0.000 0.946 646 R CB 2.450 32.859 30.300 0.181 0.000 1.127 646 R HN 0.500 nan 8.270 nan 0.000 0.473 647 D N 2.419 122.864 120.400 0.074 0.000 2.542 647 D HA 0.069 4.709 4.640 -0.000 0.000 0.252 647 D C -0.354 175.990 176.300 0.074 0.000 1.222 647 D CA -0.238 53.809 54.000 0.079 0.000 0.895 647 D CB 0.910 41.792 40.800 0.137 0.000 1.207 647 D HN 0.291 nan 8.370 nan 0.000 0.558 648 Q N 2.307 122.143 119.800 0.061 0.000 2.461 648 Q HA -0.229 4.111 4.340 -0.000 0.000 0.264 648 Q C 0.945 176.972 176.000 0.044 0.000 1.085 648 Q CA 1.580 57.412 55.803 0.049 0.000 1.006 648 Q CB -1.877 26.890 28.738 0.048 0.000 1.437 648 Q HN 0.999 nan 8.270 nan 0.000 0.514 649 G N -2.447 106.383 108.800 0.051 0.000 2.380 649 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.197 649 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.197 649 G C 0.092 175.021 174.900 0.048 0.000 1.001 649 G CA 0.316 45.443 45.100 0.046 0.000 0.668 649 G HN 0.668 nan 8.290 nan 0.000 0.483 650 T N 0.621 115.207 114.554 0.053 0.000 2.861 650 T HA 0.598 4.948 4.350 -0.000 0.000 0.287 650 T C 0.251 174.988 174.700 0.063 0.000 1.003 650 T CA 0.844 62.974 62.100 0.050 0.000 0.977 650 T CB 1.611 70.504 68.868 0.041 0.000 0.996 650 T HN 0.568 nan 8.240 nan 0.000 0.448 651 T N 2.459 117.048 114.554 0.058 0.000 2.903 651 T HA 0.376 4.726 4.350 -0.000 0.000 0.314 651 T C 0.765 175.509 174.700 0.074 0.000 1.078 651 T CA 0.050 62.192 62.100 0.069 0.000 1.114 651 T CB 0.262 69.163 68.868 0.054 0.000 0.987 651 T HN 0.508 nan 8.240 nan 0.000 0.548 652 V N 1.864 121.832 119.914 0.089 0.000 3.157 652 V HA 0.576 4.696 4.120 -0.000 0.000 0.253 652 V C 0.430 176.588 176.094 0.107 0.000 1.637 652 V CA 0.290 62.651 62.300 0.102 0.000 1.058 652 V CB -0.085 31.818 31.823 0.132 0.000 0.917 652 V HN 1.102 nan 8.190 nan 0.000 0.417 653 A N 0.320 123.211 122.820 0.118 0.000 2.564 653 A HA 0.859 5.179 4.320 -0.000 0.000 0.291 653 A C -1.705 175.956 177.584 0.128 0.000 1.102 653 A CA 0.102 52.216 52.037 0.128 0.000 0.660 653 A CB 2.056 21.172 19.000 0.194 0.000 1.283 653 A HN 1.165 nan 8.150 nan 0.000 0.430 654 V N -2.136 117.825 119.914 0.079 0.000 2.891 654 V HA 0.989 5.109 4.120 -0.000 0.000 0.304 654 V C -0.268 175.738 176.094 -0.148 0.000 1.171 654 V CA 0.359 62.663 62.300 0.006 0.000 0.943 654 V CB 1.280 33.066 31.823 -0.062 0.000 1.037 654 V HN 2.310 nan 8.190 nan 0.000 0.427 655 G N 3.191 111.716 108.800 -0.460 0.000 2.695 655 G HA2 0.752 4.712 3.960 -0.000 0.000 0.290 655 G HA3 0.752 4.712 3.960 -0.000 0.000 0.290 655 G C -1.447 172.761 174.900 -1.154 0.000 1.410 655 G CA -0.825 43.785 45.100 -0.817 0.000 0.844 655 G HN 1.253 nan 8.290 nan 0.000 0.478 656 K N -0.479 119.539 120.400 -0.637 0.000 2.345 656 K HA 0.666 4.985 4.320 -0.000 0.000 0.255 656 K C -0.646 175.907 176.600 -0.079 0.000 0.934 656 K CA -0.880 55.156 56.287 -0.419 0.000 0.801 656 K CB 2.570 34.769 32.500 -0.503 0.000 1.137 656 K HN 0.527 nan 8.250 nan 0.000 0.424 657 V N 4.397 124.423 119.914 0.188 0.000 2.479 657 V HA 0.010 4.130 4.120 -0.000 0.000 0.281 657 V C 0.519 176.730 176.094 0.195 0.000 1.031 657 V CA 0.041 62.549 62.300 0.347 0.000 1.038 657 V CB 1.073 33.060 31.823 0.272 0.000 0.981 657 V HN 0.842 nan 8.190 nan 0.000 0.478 658 V N 6.028 126.050 119.914 0.181 0.000 2.949 658 V HA 0.409 4.529 4.120 -0.000 0.000 0.245 658 V C 0.851 176.996 176.094 0.086 0.000 1.086 658 V CA 1.260 63.624 62.300 0.107 0.000 1.097 658 V CB -0.116 31.752 31.823 0.075 0.000 0.762 658 V HN 0.943 nan 8.190 nan 0.000 0.470 659 K N 0.383 120.852 120.400 0.115 0.000 2.525 659 K HA 0.411 4.731 4.320 -0.000 0.000 0.254 659 K C -1.633 175.040 176.600 0.122 0.000 0.934 659 K CA -0.748 55.589 56.287 0.083 0.000 0.802 659 K CB 1.876 34.414 32.500 0.063 0.000 1.295 659 K HN 0.043 nan 8.250 nan 0.000 0.433 660 I N 5.196 125.806 120.570 0.067 0.000 2.331 660 I HA 0.307 4.477 4.170 -0.000 0.000 0.292 660 I C 0.022 176.198 176.117 0.097 0.000 0.998 660 I CA -0.561 60.788 61.300 0.082 0.000 1.267 660 I CB 0.955 38.944 38.000 -0.017 0.000 1.386 660 I HN 0.581 nan 8.210 nan 0.000 0.476 661 L N 5.164 126.469 121.223 0.137 0.000 2.344 661 L HA 0.353 4.693 4.340 -0.000 0.000 0.272 661 L C 0.567 177.487 176.870 0.084 0.000 1.035 661 L CA -0.988 53.910 54.840 0.096 0.000 0.807 661 L CB 1.103 43.211 42.059 0.082 0.000 1.237 661 L HN 0.577 nan 8.230 nan 0.000 0.442 662 D N 0.000 120.436 120.400 0.059 0.000 6.856 662 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 662 D CA 0.000 54.028 54.000 0.047 0.000 0.868 662 D CB 0.000 40.820 40.800 0.033 0.000 0.688 662 D HN 0.000 nan 8.370 nan 0.000 0.683