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 2erq_1_A DATA FIRST_RESID 185 DATA SEQUENCE SNLTPEQQRY LNAKKYVKLF LVADYIMYLK YGRNLTAVRT RMYDIVNVIT DATA SEQUENCE PIYHRMNIHV ALVGLEIWSN TDKIIVQSSA DVTLDLFAKW RATDLLSRKS DATA SEQUENCE HDNAQLLTGI NFNGPTAGLG YLGGIcNTMY SAGIVQDHSK IHHLVAIAMA DATA SEQUENCE HEMGHNLGMD HDKDTcTcGT RPcVMAGALS CEASFLFSDc SQKDHREFLI DATA SEQUENCE KNMPQcILKK PLKTDVVSPA VcGNYFVEVG EEcDcGSPRT cRDPccDATT DATA SEQUENCE cKLRQGAQcA EGLccDQcRF KGAGTEcRAA KDEcDMADVc TGRSAEcTDR DATA SEQUENCE FQRNGQPcKN NNGYcYNGKc PIMADQcIAL FGPGATVSQD AcFQFNREGN DATA SEQUENCE HYGYcRKEQN TKIAcEPQDV KcGRLYcFPN SPENKNPcNI YYSPNDEDKG DATA SEQUENCE MVLPGTKcAD RKAcSNGQcV DVTT 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 185 S HA 0.000 nan 4.470 nan 0.000 0.327 185 S C 0.000 174.598 174.600 -0.004 0.000 1.055 185 S CA 0.000 58.198 58.200 -0.003 0.000 1.107 185 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 186 N N 1.965 120.662 118.700 -0.006 0.000 2.413 186 N HA 0.520 5.263 4.740 0.004 0.000 0.266 186 N C -0.772 174.734 175.510 -0.008 0.000 1.238 186 N CA -0.249 52.798 53.050 -0.005 0.000 0.972 186 N CB 0.913 39.396 38.487 -0.006 0.000 1.210 186 N HN 0.401 nan 8.380 nan 0.000 0.547 187 L N 0.160 121.379 121.223 -0.006 0.000 2.441 187 L HA 0.299 4.641 4.340 0.004 0.000 0.270 187 L C 0.144 177.011 176.870 -0.005 0.000 0.973 187 L CA -0.277 54.559 54.840 -0.006 0.000 0.842 187 L CB 1.386 43.445 42.059 -0.000 0.000 1.239 187 L HN 0.929 nan 8.230 nan 0.000 0.406 188 T N 2.005 116.553 114.554 -0.010 0.000 2.748 188 T HA 0.337 4.689 4.350 0.004 0.000 0.304 188 T C -1.963 172.739 174.700 0.002 0.000 1.041 188 T CA -0.837 61.258 62.100 -0.007 0.000 1.033 188 T CB 0.725 69.584 68.868 -0.016 0.000 0.995 188 T HN 0.508 nan 8.240 nan 0.000 0.536 189 P HA -0.023 nan 4.420 nan 0.000 0.216 189 P C 1.524 178.838 177.300 0.024 0.000 1.153 189 P CA 1.170 64.279 63.100 0.014 0.000 0.844 189 P CB -0.059 31.649 31.700 0.012 0.000 0.787 190 E N 0.055 120.267 120.200 0.020 0.000 2.204 190 E HA -0.213 4.139 4.350 0.004 0.000 0.194 190 E C 1.882 178.515 176.600 0.055 0.000 0.989 190 E CA 0.899 57.320 56.400 0.035 0.000 0.824 190 E CB -0.804 28.905 29.700 0.016 0.000 0.756 190 E HN 0.279 nan 8.360 nan 0.000 0.477 191 Q N 0.441 120.256 119.800 0.025 0.000 2.016 191 Q HA -0.229 4.114 4.340 0.004 0.000 0.200 191 Q C 2.272 178.320 176.000 0.081 0.000 0.978 191 Q CA 1.786 57.606 55.803 0.028 0.000 0.833 191 Q CB -0.139 28.591 28.738 -0.013 0.000 0.895 191 Q HN 0.213 nan 8.270 nan 0.000 0.427 192 Q N 1.041 120.872 119.800 0.052 0.000 2.096 192 Q HA -0.166 4.176 4.340 0.004 0.000 0.204 192 Q C 1.843 177.881 176.000 0.063 0.000 0.982 192 Q CA 1.658 57.491 55.803 0.050 0.000 0.850 192 Q CB -0.006 28.751 28.738 0.031 0.000 0.901 192 Q HN 0.185 nan 8.270 nan 0.000 0.422 193 R N -1.247 119.294 120.500 0.068 0.000 2.091 193 R HA -0.191 4.151 4.340 0.004 0.000 0.238 193 R C 2.244 178.590 176.300 0.076 0.000 1.136 193 R CA 1.593 57.731 56.100 0.063 0.000 0.959 193 R CB -0.587 29.751 30.300 0.064 0.000 0.856 193 R HN 0.414 nan 8.270 nan 0.000 0.437 194 Y N 1.514 121.812 120.300 -0.002 0.000 2.114 194 Y HA -0.217 4.335 4.550 0.003 0.000 0.284 194 Y C 2.054 177.952 175.900 -0.004 0.000 1.143 194 Y CA 1.575 59.672 58.100 -0.004 0.000 1.135 194 Y CB -0.330 38.116 38.460 -0.022 0.000 0.980 194 Y HN -0.034 nan 8.280 nan 0.000 0.499 195 L N 0.360 121.676 121.223 0.155 0.000 2.127 195 L HA -0.299 4.043 4.340 0.004 0.000 0.211 195 L C 1.890 178.744 176.870 -0.026 0.000 1.089 195 L CA 1.445 56.324 54.840 0.064 0.000 0.757 195 L CB -0.562 41.544 42.059 0.079 0.000 0.899 195 L HN 0.359 nan 8.230 nan 0.000 0.434 196 N N 0.120 118.807 118.700 -0.022 0.000 2.376 196 N HA 0.033 4.775 4.740 0.004 0.000 0.177 196 N C 0.859 176.336 175.510 -0.054 0.000 1.024 196 N CA 0.698 53.733 53.050 -0.025 0.000 0.893 196 N CB -0.180 38.306 38.487 -0.002 0.000 0.980 196 N HN 0.199 nan 8.380 nan 0.000 0.439 197 A N 1.831 124.593 122.820 -0.097 0.000 2.531 197 A HA 0.033 4.355 4.320 0.004 0.000 0.236 197 A C 0.427 177.943 177.584 -0.113 0.000 1.062 197 A CA -0.016 51.964 52.037 -0.094 0.000 0.760 197 A CB 0.171 19.090 19.000 -0.135 0.000 0.995 197 A HN 0.139 nan 8.150 nan 0.000 0.501 198 K N 1.612 121.972 120.400 -0.067 0.000 2.355 198 K HA 0.194 4.516 4.320 0.004 0.000 0.270 198 K C -0.306 176.136 176.600 -0.263 0.000 1.003 198 K CA -0.015 56.174 56.287 -0.163 0.000 0.957 198 K CB 0.373 32.787 32.500 -0.144 0.000 0.939 198 K HN 0.493 nan 8.250 nan 0.000 0.482 199 K N 2.300 122.480 120.400 -0.366 0.000 2.203 199 K HA 0.424 4.746 4.320 0.004 0.000 0.251 199 K C -0.865 175.459 176.600 -0.461 0.000 0.944 199 K CA -0.710 55.420 56.287 -0.261 0.000 0.829 199 K CB 1.222 33.662 32.500 -0.100 0.000 1.125 199 K HN 0.432 nan 8.250 nan 0.000 0.430 200 Y N -1.073 119.257 120.300 0.050 0.000 2.492 200 Y HA 0.395 4.947 4.550 0.004 0.000 0.346 200 Y C -0.345 175.543 175.900 -0.020 0.000 0.997 200 Y CA -1.150 56.970 58.100 0.034 0.000 1.025 200 Y CB 1.974 40.478 38.460 0.073 0.000 1.263 200 Y HN 0.068 nan 8.280 nan 0.000 0.454 201 V N 3.139 123.084 119.914 0.052 0.000 2.326 201 V HA 0.320 4.442 4.120 0.004 0.000 0.281 201 V C -0.610 175.485 176.094 0.001 0.000 1.015 201 V CA -1.389 60.909 62.300 -0.003 0.000 0.823 201 V CB 1.123 32.870 31.823 -0.127 0.000 1.009 201 V HN 0.623 nan 8.190 nan 0.000 0.436 202 K N 4.808 125.245 120.400 0.062 0.000 2.262 202 K HA 0.364 4.686 4.320 0.004 0.000 0.288 202 K C -0.550 176.126 176.600 0.127 0.000 1.090 202 K CA -0.386 55.944 56.287 0.072 0.000 0.918 202 K CB 0.844 33.405 32.500 0.102 0.000 1.139 202 K HN 0.434 nan 8.250 nan 0.000 0.462 203 L N 4.043 125.308 121.223 0.070 0.000 2.292 203 L HA 0.414 4.756 4.340 0.004 0.000 0.284 203 L C -1.091 175.838 176.870 0.098 0.000 1.065 203 L CA -0.247 54.656 54.840 0.106 0.000 0.806 203 L CB 0.401 42.473 42.059 0.022 0.000 1.175 203 L HN 0.435 nan 8.230 nan 0.000 0.431 204 F N 5.540 125.510 119.950 0.034 0.000 2.458 204 F HA 0.595 5.123 4.527 0.003 0.000 0.336 204 F C -1.062 174.753 175.800 0.025 0.000 1.114 204 F CA -0.648 57.304 58.000 -0.080 0.000 0.987 204 F CB 1.138 39.864 39.000 -0.456 0.000 1.130 204 F HN 0.294 nan 8.300 nan 0.000 0.458 205 L N 6.582 127.763 121.223 -0.070 0.000 2.346 205 L HA 0.677 5.019 4.340 0.004 0.000 0.276 205 L C -1.176 175.742 176.870 0.081 0.000 1.006 205 L CA -1.136 53.734 54.840 0.049 0.000 0.817 205 L CB 2.005 44.016 42.059 -0.080 0.000 1.272 205 L HN 0.306 nan 8.230 nan 0.000 0.421 206 V N 2.001 121.942 119.914 0.045 0.000 2.540 206 V HA 0.693 4.815 4.120 0.004 0.000 0.302 206 V C -0.072 175.785 176.094 -0.396 0.000 1.035 206 V CA -0.579 61.601 62.300 -0.200 0.000 0.873 206 V CB 1.788 33.420 31.823 -0.317 0.000 0.992 206 V HN 0.853 nan 8.190 nan 0.000 0.428 207 A N 3.354 125.921 122.820 -0.421 0.000 2.330 207 A HA 0.810 5.132 4.320 0.004 0.000 0.327 207 A C -0.385 177.002 177.584 -0.330 0.000 1.155 207 A CA -0.617 51.236 52.037 -0.307 0.000 0.803 207 A CB 0.992 19.873 19.000 -0.198 0.000 1.208 207 A HN 0.897 nan 8.150 nan 0.000 0.477 208 D N 0.527 120.829 120.400 -0.163 0.000 2.478 208 D HA 0.052 4.694 4.640 0.004 0.000 0.269 208 D C 0.806 177.242 176.300 0.226 0.000 1.232 208 D CA -0.359 53.692 54.000 0.084 0.000 1.059 208 D CB 0.020 40.917 40.800 0.163 0.000 1.104 208 D HN 0.439 nan 8.370 nan 0.000 0.566 209 Y N -0.242 120.194 120.300 0.226 0.000 2.224 209 Y HA -0.067 4.485 4.550 0.003 0.000 0.289 209 Y C 2.072 178.089 175.900 0.196 0.000 1.146 209 Y CA 1.444 59.678 58.100 0.222 0.000 1.182 209 Y CB -0.292 38.273 38.460 0.176 0.000 0.983 209 Y HN 0.338 nan 8.280 nan 0.000 0.524 210 I N -0.961 119.674 120.570 0.108 0.000 2.315 210 I HA -0.336 3.836 4.170 0.004 0.000 0.248 210 I C 2.260 178.352 176.117 -0.042 0.000 1.117 210 I CA 0.902 62.193 61.300 -0.015 0.000 1.404 210 I CB -0.388 37.627 38.000 0.026 0.000 1.071 210 I HN 0.244 nan 8.210 nan 0.000 0.419 211 M N -0.123 119.496 119.600 0.032 0.000 2.080 211 M HA -0.269 4.213 4.480 0.004 0.000 0.260 211 M C 2.525 178.901 176.300 0.126 0.000 1.068 211 M CA 2.008 57.370 55.300 0.103 0.000 1.109 211 M CB -1.363 31.271 32.600 0.056 0.000 1.342 211 M HN 0.259 nan 8.290 nan 0.000 0.405 212 Y N 1.267 121.525 120.300 -0.070 0.000 2.151 212 Y HA -0.231 4.321 4.550 0.004 0.000 0.284 212 Y C 2.116 177.927 175.900 -0.149 0.000 1.166 212 Y CA 1.773 59.810 58.100 -0.105 0.000 1.163 212 Y CB -0.603 37.767 38.460 -0.150 0.000 0.974 212 Y HN 0.143 nan 8.280 nan 0.000 0.511 213 L N 0.022 120.983 121.223 -0.438 0.000 2.072 213 L HA -0.181 4.161 4.340 0.004 0.000 0.205 213 L C 2.596 179.276 176.870 -0.318 0.000 1.079 213 L CA 1.725 56.285 54.840 -0.468 0.000 0.752 213 L CB -0.662 41.172 42.059 -0.375 0.000 0.906 213 L HN 0.111 nan 8.230 nan 0.000 0.436 214 K N 0.328 120.584 120.400 -0.239 0.000 2.074 214 K HA -0.213 4.110 4.320 0.004 0.000 0.209 214 K C 0.815 177.129 176.600 -0.476 0.000 1.048 214 K CA 1.651 57.747 56.287 -0.317 0.000 0.926 214 K CB -0.099 32.228 32.500 -0.288 0.000 0.713 214 K HN 0.210 nan 8.250 nan 0.000 0.444 215 Y N 0.388 120.576 120.300 -0.187 0.000 2.882 215 Y HA 0.251 4.803 4.550 0.004 0.000 0.361 215 Y C 0.842 176.623 175.900 -0.197 0.000 1.058 215 Y CA 0.053 58.057 58.100 -0.161 0.000 1.575 215 Y CB 0.502 38.886 38.460 -0.128 0.000 1.383 215 Y HN 0.308 nan 8.280 nan 0.000 0.515 216 G N 1.366 110.053 108.800 -0.188 0.000 2.283 216 G HA2 -0.393 3.569 3.960 0.004 0.000 0.280 216 G HA3 -0.393 3.569 3.960 0.004 0.000 0.280 216 G C 0.642 175.374 174.900 -0.281 0.000 1.029 216 G CA 0.383 45.362 45.100 -0.200 0.000 0.840 216 G HN 0.634 nan 8.290 nan 0.000 0.505 217 R N -1.892 118.266 120.500 -0.570 0.000 3.516 217 R HA -0.221 4.121 4.340 0.004 0.000 0.271 217 R C 0.091 176.234 176.300 -0.261 0.000 1.098 217 R CA 1.053 56.558 56.100 -0.992 0.000 0.732 217 R CB -1.764 28.164 30.300 -0.620 0.000 1.152 217 R HN 0.551 nan 8.270 nan 0.000 0.455 218 N N 0.926 119.560 118.700 -0.110 0.000 2.518 218 N HA 0.197 4.939 4.740 0.004 0.000 0.254 218 N C 0.956 176.523 175.510 0.096 0.000 0.979 218 N CA -0.418 52.654 53.050 0.037 0.000 0.930 218 N CB 0.983 39.473 38.487 0.005 0.000 1.152 218 N HN 0.130 nan 8.380 nan 0.000 0.505 219 L N 1.681 122.993 121.223 0.150 0.000 2.079 219 L HA -0.152 4.190 4.340 0.004 0.000 0.210 219 L C 1.812 178.683 176.870 0.002 0.000 1.081 219 L CA 1.201 56.099 54.840 0.098 0.000 0.752 219 L CB -0.394 41.716 42.059 0.085 0.000 0.896 219 L HN 0.488 nan 8.230 nan 0.000 0.433 220 T N -0.140 114.417 114.554 0.006 0.000 2.777 220 T HA -0.117 4.235 4.350 0.004 0.000 0.266 220 T C 2.037 176.693 174.700 -0.073 0.000 1.040 220 T CA 1.256 63.343 62.100 -0.022 0.000 1.141 220 T CB -0.178 68.696 68.868 0.010 0.000 0.868 220 T HN 0.445 nan 8.240 nan 0.000 0.444 221 A N 0.919 123.708 122.820 -0.052 0.000 1.933 221 A HA -0.022 4.300 4.320 0.004 0.000 0.218 221 A C 2.547 179.985 177.584 -0.243 0.000 1.175 221 A CA 1.165 53.155 52.037 -0.079 0.000 0.628 221 A CB -0.884 18.131 19.000 0.025 0.000 0.814 221 A HN 0.361 nan 8.150 nan 0.000 0.444 222 V N -0.093 119.682 119.914 -0.230 0.000 2.358 222 V HA -0.231 3.892 4.120 0.004 0.000 0.246 222 V C 2.616 178.452 176.094 -0.429 0.000 1.047 222 V CA 2.107 64.185 62.300 -0.370 0.000 1.035 222 V CB -0.779 30.945 31.823 -0.164 0.000 0.658 222 V HN 0.518 nan 8.190 nan 0.000 0.452 223 R N -0.213 120.048 120.500 -0.398 0.000 2.081 223 R HA -0.129 4.213 4.340 0.004 0.000 0.235 223 R C 2.419 178.115 176.300 -1.006 0.000 1.131 223 R CA 1.890 57.571 56.100 -0.699 0.000 0.960 223 R CB -0.764 29.192 30.300 -0.572 0.000 0.856 223 R HN 0.488 nan 8.270 nan 0.000 0.436 224 T N 0.785 115.017 114.554 -0.535 0.000 2.720 224 T HA -0.195 4.158 4.350 0.004 0.000 0.268 224 T C 1.742 176.245 174.700 -0.328 0.000 1.037 224 T CA 1.699 63.626 62.100 -0.288 0.000 1.144 224 T CB -0.217 68.580 68.868 -0.119 0.000 0.864 224 T HN 0.179 nan 8.240 nan 0.000 0.444 225 R N 1.227 121.480 120.500 -0.412 0.000 2.083 225 R HA 0.030 4.372 4.340 0.004 0.000 0.237 225 R C 2.260 178.341 176.300 -0.365 0.000 1.137 225 R CA 1.714 57.559 56.100 -0.424 0.000 0.951 225 R CB -0.599 29.304 30.300 -0.662 0.000 0.851 225 R HN 0.416 nan 8.270 nan 0.000 0.434 226 M N -1.070 118.284 119.600 -0.410 0.000 2.175 226 M HA -0.116 4.367 4.480 0.004 0.000 0.264 226 M C 1.848 178.054 176.300 -0.156 0.000 1.063 226 M CA 1.647 56.768 55.300 -0.298 0.000 1.119 226 M CB -0.358 32.033 32.600 -0.348 0.000 1.377 226 M HN 0.194 nan 8.290 nan 0.000 0.415 227 Y N 0.499 120.708 120.300 -0.153 0.000 2.200 227 Y HA -0.239 4.313 4.550 0.003 0.000 0.290 227 Y C 2.298 178.116 175.900 -0.138 0.000 1.137 227 Y CA 0.135 58.163 58.100 -0.121 0.000 1.163 227 Y CB -0.370 38.029 38.460 -0.101 0.000 0.988 227 Y HN 0.236 nan 8.280 nan 0.000 0.518 228 D N 0.703 121.057 120.400 -0.076 0.000 2.116 228 D HA -0.201 4.441 4.640 0.004 0.000 0.193 228 D C 2.081 178.270 176.300 -0.185 0.000 0.998 228 D CA 1.457 55.293 54.000 -0.274 0.000 0.836 228 D CB -0.425 39.937 40.800 -0.730 0.000 0.951 228 D HN 0.345 nan 8.370 nan 0.000 0.449 229 I N 0.485 120.972 120.570 -0.139 0.000 2.127 229 I HA -0.243 3.929 4.170 0.004 0.000 0.241 229 I C 2.475 178.614 176.117 0.038 0.000 1.075 229 I CA 0.705 62.010 61.300 0.008 0.000 1.334 229 I CB -0.185 37.808 38.000 -0.011 0.000 1.040 229 I HN -0.108 nan 8.210 nan 0.000 0.405 230 V N 1.204 121.130 119.914 0.021 0.000 2.490 230 V HA -0.260 3.862 4.120 0.004 0.000 0.250 230 V C 1.984 178.093 176.094 0.026 0.000 1.061 230 V CA 1.735 64.050 62.300 0.026 0.000 1.064 230 V CB -0.884 30.957 31.823 0.030 0.000 0.670 230 V HN 0.466 nan 8.190 nan 0.000 0.461 231 N N -0.022 118.699 118.700 0.035 0.000 2.443 231 N HA -0.096 4.646 4.740 0.004 0.000 0.184 231 N C 1.505 177.028 175.510 0.022 0.000 1.037 231 N CA 1.060 54.133 53.050 0.039 0.000 0.896 231 N CB -0.031 38.481 38.487 0.042 0.000 0.959 231 N HN 0.417 nan 8.380 nan 0.000 0.442 232 V N 0.381 120.309 119.914 0.022 0.000 2.949 232 V HA 0.095 4.217 4.120 0.004 0.000 0.245 232 V C 2.116 178.162 176.094 -0.079 0.000 1.086 232 V CA 0.377 62.644 62.300 -0.055 0.000 1.097 232 V CB 0.044 31.898 31.823 0.051 0.000 0.762 232 V HN 0.127 nan 8.190 nan 0.000 0.470 233 I N 0.446 121.025 120.570 0.016 0.000 2.252 233 I HA -0.213 3.959 4.170 0.004 0.000 0.245 233 I C 2.550 178.699 176.117 0.053 0.000 1.102 233 I CA 1.652 62.997 61.300 0.074 0.000 1.385 233 I CB -0.471 37.598 38.000 0.115 0.000 1.064 233 I HN 0.306 nan 8.210 nan 0.000 0.414 234 T N 1.758 116.295 114.554 -0.028 0.000 2.652 234 T HA -0.103 4.249 4.350 0.004 0.000 0.267 234 T C -0.517 174.077 174.700 -0.176 0.000 1.039 234 T CA 1.700 63.713 62.100 -0.145 0.000 1.153 234 T CB -1.369 67.474 68.868 -0.043 0.000 0.863 234 T HN 0.297 nan 8.240 nan 0.000 0.428 235 P HA 0.073 nan 4.420 nan 0.000 0.221 235 P C 1.525 178.809 177.300 -0.027 0.000 1.150 235 P CA 0.883 64.019 63.100 0.060 0.000 0.800 235 P CB -0.278 31.429 31.700 0.011 0.000 0.787 236 I N -1.834 118.675 120.570 -0.101 0.000 2.226 236 I HA -0.244 3.928 4.170 0.004 0.000 0.245 236 I C 2.270 178.319 176.117 -0.113 0.000 1.100 236 I CA 1.670 62.890 61.300 -0.133 0.000 1.374 236 I CB -0.693 37.190 38.000 -0.195 0.000 1.057 236 I HN -0.109 nan 8.210 nan 0.000 0.413 237 Y N -0.395 119.911 120.300 0.011 0.000 2.517 237 Y HA -0.050 4.502 4.550 0.004 0.000 0.281 237 Y C 2.510 178.377 175.900 -0.054 0.000 1.125 237 Y CA 0.577 58.672 58.100 -0.007 0.000 1.283 237 Y CB -0.336 38.061 38.460 -0.105 0.000 1.042 237 Y HN 0.180 nan 8.280 nan 0.000 0.547 238 H N -0.023 119.113 119.070 0.109 0.000 2.421 238 H HA -0.041 4.517 4.556 0.003 0.000 0.298 238 H C 1.790 177.107 175.328 -0.019 0.000 1.087 238 H CA 1.113 57.168 56.048 0.011 0.000 1.330 238 H CB 0.044 29.754 29.762 -0.086 0.000 1.388 238 H HN 0.308 nan 8.280 nan 0.000 0.526 239 R N -0.185 120.383 120.500 0.114 0.000 2.328 239 R HA -0.014 4.328 4.340 0.004 0.000 0.207 239 R C 0.776 177.118 176.300 0.071 0.000 1.056 239 R CA 0.485 56.631 56.100 0.077 0.000 1.016 239 R CB 0.224 30.579 30.300 0.091 0.000 0.872 239 R HN 0.184 nan 8.270 nan 0.000 0.471 240 M N 0.199 119.840 119.600 0.068 0.000 2.589 240 M HA 0.077 4.559 4.480 0.004 0.000 0.344 240 M C -0.008 176.339 176.300 0.079 0.000 1.168 240 M CA -0.140 55.178 55.300 0.029 0.000 0.956 240 M CB -0.110 32.427 32.600 -0.106 0.000 1.370 240 M HN 0.031 nan 8.290 nan 0.000 0.518 241 N N 1.704 120.447 118.700 0.072 0.000 2.714 241 N HA -0.184 4.558 4.740 0.004 0.000 0.250 241 N C -1.253 174.276 175.510 0.031 0.000 1.117 241 N CA 0.629 53.706 53.050 0.045 0.000 0.719 241 N CB -1.029 37.476 38.487 0.031 0.000 1.081 241 N HN 0.556 nan 8.380 nan 0.000 0.557 242 I N 0.165 120.780 120.570 0.074 0.000 2.498 242 I HA 0.211 4.383 4.170 0.004 0.000 0.290 242 I C -0.244 175.885 176.117 0.019 0.000 1.032 242 I CA -1.025 60.282 61.300 0.011 0.000 1.073 242 I CB 1.649 39.651 38.000 0.003 0.000 1.251 242 I HN 0.188 nan 8.210 nan 0.000 0.426 243 H N 5.818 124.830 119.070 -0.097 0.000 2.541 243 H HA 0.473 5.031 4.556 0.003 0.000 0.316 243 H C -1.283 173.991 175.328 -0.089 0.000 1.043 243 H CA -0.420 55.606 56.048 -0.036 0.000 1.232 243 H CB 1.224 31.099 29.762 0.188 0.000 1.406 243 H HN 0.245 nan 8.280 nan 0.000 0.469 244 V N 4.862 124.314 119.914 -0.769 0.000 2.455 244 V HA 0.495 4.617 4.120 0.004 0.000 0.273 244 V C 0.239 175.905 176.094 -0.713 0.000 1.045 244 V CA 0.176 62.144 62.300 -0.554 0.000 0.976 244 V CB 0.521 32.139 31.823 -0.343 0.000 0.993 244 V HN 0.984 nan 8.190 nan 0.000 0.475 245 A N 5.845 128.417 122.820 -0.413 0.000 2.311 245 A HA 0.689 5.011 4.320 0.004 0.000 0.306 245 A C -0.800 176.700 177.584 -0.139 0.000 1.189 245 A CA -0.648 51.215 52.037 -0.291 0.000 0.791 245 A CB 1.021 19.855 19.000 -0.277 0.000 1.172 245 A HN 0.780 nan 8.150 nan 0.000 0.481 246 L N 4.632 125.791 121.223 -0.106 0.000 2.515 246 L HA 0.291 4.633 4.340 0.004 0.000 0.281 246 L C 0.963 177.786 176.870 -0.078 0.000 1.131 246 L CA 0.473 55.264 54.840 -0.082 0.000 0.905 246 L CB 0.682 42.709 42.059 -0.054 0.000 1.246 246 L HN 0.732 nan 8.230 nan 0.000 0.463 247 V N 2.066 121.939 119.914 -0.068 0.000 3.621 247 V HA 0.709 4.831 4.120 0.004 0.000 0.285 247 V C 0.692 176.724 176.094 -0.104 0.000 1.346 247 V CA 0.453 62.732 62.300 -0.034 0.000 1.104 247 V CB -0.597 31.254 31.823 0.047 0.000 0.913 247 V HN 0.794 nan 8.190 nan 0.000 0.432 248 G N 0.044 108.633 108.800 -0.352 0.000 2.616 248 G HA2 0.594 4.556 3.960 0.004 0.000 0.294 248 G HA3 0.594 4.556 3.960 0.004 0.000 0.294 248 G C -1.990 172.102 174.900 -1.347 0.000 1.489 248 G CA -0.275 44.319 45.100 -0.844 0.000 0.836 248 G HN 0.706 nan 8.290 nan 0.000 0.527 249 L N -0.057 120.496 121.223 -1.118 0.000 2.549 249 L HA 0.912 5.255 4.340 0.004 0.000 0.259 249 L C -1.586 175.156 176.870 -0.214 0.000 0.934 249 L CA -0.660 53.802 54.840 -0.630 0.000 0.865 249 L CB 2.385 44.273 42.059 -0.285 0.000 1.352 249 L HN 0.714 nan 8.230 nan 0.000 0.410 250 E N 4.469 124.677 120.200 0.014 0.000 2.290 250 E HA 0.519 4.872 4.350 0.004 0.000 0.274 250 E C -1.746 174.824 176.600 -0.049 0.000 0.889 250 E CA -0.656 55.837 56.400 0.156 0.000 0.760 250 E CB 2.221 32.206 29.700 0.476 0.000 1.206 250 E HN 0.672 nan 8.360 nan 0.000 0.419 251 I N 3.837 124.400 120.570 -0.011 0.000 2.354 251 I HA 0.240 4.412 4.170 0.004 0.000 0.286 251 I C -0.478 175.696 176.117 0.094 0.000 1.007 251 I CA -0.821 60.445 61.300 -0.056 0.000 1.167 251 I CB 0.786 38.763 38.000 -0.037 0.000 1.320 251 I HN 0.484 nan 8.210 nan 0.000 0.458 252 W N 5.848 127.156 121.300 0.014 0.000 1.828 252 W HA 0.095 4.756 4.660 0.003 0.000 0.470 252 W C 1.481 178.007 176.519 0.011 0.000 0.786 252 W CA -0.620 56.729 57.345 0.007 0.000 1.816 252 W CB -0.766 28.696 29.460 0.002 0.000 1.798 252 W HN 0.605 nan 8.180 nan 0.000 0.252 253 S N -0.935 114.792 115.700 0.045 0.000 2.527 253 S HA -0.149 4.324 4.470 0.004 0.000 0.222 253 S C 1.472 176.001 174.600 -0.118 0.000 0.985 253 S CA 0.930 58.908 58.200 -0.371 0.000 0.921 253 S CB 0.159 62.855 63.200 -0.839 0.000 0.772 253 S HN 0.382 nan 8.310 nan 0.000 0.529 254 N N 1.021 119.737 118.700 0.028 0.000 2.511 254 N HA 0.134 4.876 4.740 0.004 0.000 0.190 254 N C 0.111 175.584 175.510 -0.062 0.000 1.037 254 N CA 1.161 54.224 53.050 0.020 0.000 0.895 254 N CB 0.783 39.260 38.487 -0.016 0.000 1.149 254 N HN 0.336 nan 8.380 nan 0.000 0.437 255 T N -0.609 113.897 114.554 -0.081 0.000 2.889 255 T HA 0.258 4.610 4.350 0.004 0.000 0.315 255 T C -2.167 172.417 174.700 -0.192 0.000 1.291 255 T CA -0.811 61.162 62.100 -0.212 0.000 1.028 255 T CB 0.791 69.530 68.868 -0.214 0.000 1.235 255 T HN -0.022 nan 8.240 nan 0.000 0.491 256 D N 2.648 122.918 120.400 -0.216 0.000 2.382 256 D HA 0.265 4.907 4.640 0.004 0.000 0.245 256 D C 0.913 176.733 176.300 -0.800 0.000 1.120 256 D CA -0.379 53.392 54.000 -0.381 0.000 0.890 256 D CB 1.306 42.041 40.800 -0.108 0.000 1.201 256 D HN 0.364 nan 8.370 nan 0.000 0.433 257 K N 1.167 120.564 120.400 -1.673 0.000 2.418 257 K HA 0.123 4.445 4.320 0.004 0.000 0.195 257 K C 0.958 177.105 176.600 -0.755 0.000 1.035 257 K CA 0.386 55.951 56.287 -1.203 0.000 1.003 257 K CB 0.003 31.601 32.500 -1.503 0.000 0.793 257 K HN 0.566 nan 8.250 nan 0.000 0.494 258 I N -3.235 116.929 120.570 -0.676 0.000 3.239 258 I HA 0.426 4.598 4.170 0.004 0.000 0.314 258 I C -0.614 175.420 176.117 -0.139 0.000 1.126 258 I CA -1.394 59.760 61.300 -0.243 0.000 0.973 258 I CB 1.715 39.688 38.000 -0.046 0.000 1.252 258 I HN -0.312 nan 8.210 nan 0.000 0.463 259 I N 3.540 124.092 120.570 -0.029 0.000 2.281 259 I HA 0.201 4.373 4.170 0.004 0.000 0.293 259 I C -0.309 175.852 176.117 0.073 0.000 1.085 259 I CA -0.713 60.590 61.300 0.006 0.000 1.257 259 I CB 1.040 39.047 38.000 0.012 0.000 1.430 259 I HN 0.276 nan 8.210 nan 0.000 0.489 260 V N 7.231 127.207 119.914 0.104 0.000 2.446 260 V HA 0.057 4.179 4.120 0.004 0.000 0.276 260 V C 0.288 176.465 176.094 0.139 0.000 1.030 260 V CA 0.001 62.397 62.300 0.160 0.000 1.033 260 V CB 0.238 32.174 31.823 0.189 0.000 0.993 260 V HN 0.728 nan 8.190 nan 0.000 0.477 261 Q N 2.489 122.387 119.800 0.163 0.000 2.445 261 Q HA 0.390 4.732 4.340 0.004 0.000 0.281 261 Q C 1.086 177.213 176.000 0.212 0.000 1.101 261 Q CA -0.273 55.616 55.803 0.144 0.000 0.833 261 Q CB 1.677 30.480 28.738 0.108 0.000 1.416 261 Q HN 0.730 nan 8.270 nan 0.000 0.451 262 S N -0.755 115.046 115.700 0.170 0.000 2.474 262 S HA -0.084 4.388 4.470 0.004 0.000 0.235 262 S C 1.035 175.789 174.600 0.256 0.000 0.997 262 S CA 0.553 58.882 58.200 0.216 0.000 0.949 262 S CB -0.009 63.263 63.200 0.120 0.000 0.766 262 S HN 0.454 nan 8.310 nan 0.000 0.517 263 S N 0.873 116.665 115.700 0.153 0.000 2.448 263 S HA 0.636 5.109 4.470 0.004 0.000 0.279 263 S C 1.185 175.773 174.600 -0.020 0.000 1.195 263 S CA -0.223 58.019 58.200 0.070 0.000 1.051 263 S CB 0.836 64.061 63.200 0.042 0.000 0.948 263 S HN 0.507 nan 8.310 nan 0.000 0.493 264 A N 4.769 127.458 122.820 -0.219 0.000 1.933 264 A HA -0.091 4.231 4.320 0.004 0.000 0.218 264 A C 1.854 179.256 177.584 -0.304 0.000 1.175 264 A CA 1.739 53.403 52.037 -0.622 0.000 0.628 264 A CB -0.589 17.889 19.000 -0.869 0.000 0.814 264 A HN 0.917 nan 8.150 nan 0.000 0.444 265 D N -0.054 120.247 120.400 -0.165 0.000 2.084 265 D HA -0.126 4.516 4.640 0.004 0.000 0.194 265 D C 2.104 178.393 176.300 -0.017 0.000 0.990 265 D CA 1.730 55.677 54.000 -0.088 0.000 0.826 265 D CB -0.406 40.365 40.800 -0.047 0.000 0.971 265 D HN 0.270 nan 8.370 nan 0.000 0.453 266 V N 1.562 121.481 119.914 0.009 0.000 2.237 266 V HA -0.239 3.883 4.120 0.004 0.000 0.245 266 V C 2.686 178.832 176.094 0.087 0.000 1.046 266 V CA 2.082 64.416 62.300 0.057 0.000 1.007 266 V CB -0.994 30.866 31.823 0.060 0.000 0.638 266 V HN 0.209 nan 8.190 nan 0.000 0.445 267 T N 0.750 115.349 114.554 0.074 0.000 2.653 267 T HA -0.274 4.079 4.350 0.004 0.000 0.268 267 T C 1.884 176.689 174.700 0.175 0.000 1.035 267 T CA 2.199 64.377 62.100 0.130 0.000 1.154 267 T CB -0.473 68.478 68.868 0.138 0.000 0.862 267 T HN 0.307 nan 8.240 nan 0.000 0.441 268 L N 1.543 122.813 121.223 0.079 0.000 1.989 268 L HA -0.100 4.242 4.340 0.004 0.000 0.211 268 L C 2.112 179.157 176.870 0.293 0.000 1.071 268 L CA 2.257 57.180 54.840 0.137 0.000 0.749 268 L CB -0.984 41.017 42.059 -0.096 0.000 0.890 268 L HN 0.243 nan 8.230 nan 0.000 0.431 269 D N -1.074 119.473 120.400 0.246 0.000 2.104 269 D HA -0.234 4.408 4.640 0.004 0.000 0.194 269 D C 2.187 178.650 176.300 0.273 0.000 0.994 269 D CA 1.790 55.976 54.000 0.310 0.000 0.830 269 D CB -0.141 40.795 40.800 0.226 0.000 0.959 269 D HN 0.444 nan 8.370 nan 0.000 0.452 270 L N -0.593 120.777 121.223 0.244 0.000 2.083 270 L HA -0.086 4.256 4.340 0.004 0.000 0.209 270 L C 2.205 179.284 176.870 0.348 0.000 1.083 270 L CA 0.607 55.591 54.840 0.241 0.000 0.752 270 L CB -0.537 41.640 42.059 0.196 0.000 0.899 270 L HN 0.158 nan 8.230 nan 0.000 0.433 271 F N 1.029 121.136 119.950 0.263 0.000 2.113 271 F HA -0.171 4.358 4.527 0.003 0.000 0.297 271 F C 2.466 178.514 175.800 0.414 0.000 1.103 271 F CA 1.161 59.377 58.000 0.360 0.000 1.248 271 F CB -0.406 38.773 39.000 0.298 0.000 0.999 271 F HN -0.020 nan 8.300 nan 0.000 0.475 272 A N 0.097 123.068 122.820 0.252 0.000 1.933 272 A HA -0.201 4.121 4.320 0.004 0.000 0.218 272 A C 2.258 179.844 177.584 0.004 0.000 1.175 272 A CA 1.834 53.938 52.037 0.112 0.000 0.628 272 A CB -0.676 18.531 19.000 0.346 0.000 0.814 272 A HN 0.460 nan 8.150 nan 0.000 0.444 273 K N -1.944 118.509 120.400 0.088 0.000 2.097 273 K HA -0.170 4.152 4.320 0.004 0.000 0.205 273 K C 1.760 178.389 176.600 0.049 0.000 1.050 273 K CA 1.473 57.782 56.287 0.037 0.000 0.938 273 K CB -0.241 32.309 32.500 0.082 0.000 0.718 273 K HN 0.758 nan 8.250 nan 0.000 0.442 274 W N 2.249 123.513 121.300 -0.059 0.000 2.436 274 W HA -0.093 4.569 4.660 0.003 0.000 0.284 274 W C 2.062 178.505 176.519 -0.126 0.000 1.225 274 W CA 1.020 58.330 57.345 -0.058 0.000 1.271 274 W CB 0.069 29.543 29.460 0.024 0.000 1.114 274 W HN -0.097 nan 8.180 nan 0.000 0.559 275 R N 0.669 121.018 120.500 -0.253 0.000 2.081 275 R HA -0.129 4.213 4.340 0.004 0.000 0.235 275 R C 2.210 178.241 176.300 -0.449 0.000 1.131 275 R CA 2.015 57.799 56.100 -0.528 0.000 0.960 275 R CB -0.780 29.308 30.300 -0.355 0.000 0.856 275 R HN 0.164 nan 8.270 nan 0.000 0.436 276 A N 0.277 122.915 122.820 -0.303 0.000 1.873 276 A HA -0.155 4.167 4.320 0.004 0.000 0.215 276 A C 2.300 179.734 177.584 -0.251 0.000 1.186 276 A CA 2.050 53.932 52.037 -0.257 0.000 0.616 276 A CB -0.994 17.873 19.000 -0.221 0.000 0.823 276 A HN 0.667 nan 8.150 nan 0.000 0.442 277 T N -3.320 111.089 114.554 -0.242 0.000 2.937 277 T HA -0.066 4.287 4.350 0.004 0.000 0.260 277 T C 1.588 176.128 174.700 -0.268 0.000 1.051 277 T CA 1.558 63.537 62.100 -0.202 0.000 1.141 277 T CB -0.123 68.671 68.868 -0.123 0.000 0.879 277 T HN 0.370 nan 8.240 nan 0.000 0.459 278 D N 0.579 120.701 120.400 -0.464 0.000 2.468 278 D HA 0.086 4.729 4.640 0.004 0.000 0.243 278 D C 2.004 177.954 176.300 -0.584 0.000 0.994 278 D CA 0.298 53.980 54.000 -0.529 0.000 0.932 278 D CB -0.448 39.937 40.800 -0.692 0.000 1.078 278 D HN 0.249 nan 8.370 nan 0.000 0.473 279 L N 0.933 121.592 121.223 -0.939 0.000 2.027 279 L HA 0.051 4.393 4.340 0.004 0.000 0.206 279 L C 2.373 179.024 176.870 -0.365 0.000 1.074 279 L CA 1.362 55.766 54.840 -0.727 0.000 0.745 279 L CB -0.717 40.729 42.059 -1.023 0.000 0.898 279 L HN 0.122 nan 8.230 nan 0.000 0.433 280 L N -1.016 120.036 121.223 -0.286 0.000 2.349 280 L HA -0.181 4.161 4.340 0.004 0.000 0.220 280 L C 1.951 178.740 176.870 -0.133 0.000 1.130 280 L CA 0.951 55.694 54.840 -0.163 0.000 0.791 280 L CB -0.435 41.503 42.059 -0.202 0.000 0.918 280 L HN 0.254 nan 8.230 nan 0.000 0.444 281 S N -1.102 114.502 115.700 -0.160 0.000 2.575 281 S HA 0.086 4.559 4.470 0.004 0.000 0.215 281 S C 1.717 176.268 174.600 -0.082 0.000 0.966 281 S CA 0.217 58.350 58.200 -0.111 0.000 0.911 281 S CB 0.196 63.327 63.200 -0.116 0.000 0.780 281 S HN 0.404 nan 8.310 nan 0.000 0.514 282 R N 0.531 120.974 120.500 -0.095 0.000 2.342 282 R HA 0.320 4.662 4.340 0.004 0.000 0.204 282 R C 0.222 176.517 176.300 -0.007 0.000 0.882 282 R CA 0.295 56.364 56.100 -0.052 0.000 1.041 282 R CB 0.517 30.774 30.300 -0.071 0.000 1.188 282 R HN 0.033 nan 8.270 nan 0.000 0.598 283 K N 0.468 120.864 120.400 -0.006 0.000 2.571 283 K HA 0.217 4.539 4.320 0.004 0.000 0.252 283 K C -1.318 175.380 176.600 0.164 0.000 0.956 283 K CA -0.258 56.079 56.287 0.083 0.000 0.822 283 K CB 2.138 34.728 32.500 0.150 0.000 1.286 283 K HN -0.112 nan 8.250 nan 0.000 0.439 284 S N 3.120 118.903 115.700 0.139 0.000 2.576 284 S HA 0.353 4.825 4.470 0.004 0.000 0.276 284 S C -0.979 173.779 174.600 0.264 0.000 1.339 284 S CA -0.063 58.212 58.200 0.125 0.000 1.039 284 S CB 0.145 63.381 63.200 0.060 0.000 0.902 284 S HN 0.784 nan 8.310 nan 0.000 0.516 285 H N 1.388 120.481 119.070 0.039 0.000 2.951 285 H HA 0.255 4.813 4.556 0.003 0.000 0.292 285 H C -1.060 174.302 175.328 0.056 0.000 1.412 285 H CA -0.659 55.435 56.048 0.077 0.000 1.206 285 H CB -0.085 29.774 29.762 0.162 0.000 1.862 285 H HN 0.493 nan 8.280 nan 0.000 0.502 286 D N 0.247 120.687 120.400 0.067 0.000 2.240 286 D HA 0.002 4.645 4.640 0.004 0.000 0.206 286 D C 0.320 176.636 176.300 0.027 0.000 0.963 286 D CA 0.877 54.882 54.000 0.008 0.000 0.863 286 D CB 0.752 41.593 40.800 0.069 0.000 0.973 286 D HN 0.504 nan 8.370 nan 0.000 0.501 287 N N -0.437 118.379 118.700 0.194 0.000 2.504 287 N HA 0.406 5.148 4.740 0.004 0.000 0.268 287 N C -2.019 173.755 175.510 0.440 0.000 1.184 287 N CA -0.298 52.898 53.050 0.243 0.000 0.875 287 N CB 2.407 40.987 38.487 0.156 0.000 1.630 287 N HN -0.082 nan 8.380 nan 0.000 0.486 288 A N 1.998 125.076 122.820 0.429 0.000 2.414 288 A HA 0.667 4.989 4.320 0.004 0.000 0.306 288 A C -1.291 176.622 177.584 0.549 0.000 1.054 288 A CA -0.530 51.810 52.037 0.505 0.000 0.724 288 A CB 1.785 21.094 19.000 0.515 0.000 1.267 288 A HN 0.553 nan 8.150 nan 0.000 0.418 289 Q N 0.693 120.776 119.800 0.471 0.000 2.347 289 Q HA 0.457 4.799 4.340 0.004 0.000 0.271 289 Q C -1.638 174.393 176.000 0.052 0.000 1.064 289 Q CA -0.740 55.240 55.803 0.296 0.000 0.800 289 Q CB 2.457 31.299 28.738 0.172 0.000 1.304 289 Q HN 0.692 nan 8.270 nan 0.000 0.438 290 L N 3.077 124.054 121.223 -0.411 0.000 2.275 290 L HA 0.458 4.800 4.340 0.004 0.000 0.288 290 L C -1.300 175.393 176.870 -0.296 0.000 1.046 290 L CA -0.583 53.827 54.840 -0.716 0.000 0.805 290 L CB 0.913 42.143 42.059 -1.382 0.000 1.193 290 L HN 0.529 nan 8.230 nan 0.000 0.426 291 L N 5.338 126.419 121.223 -0.238 0.000 2.301 291 L HA 0.547 4.889 4.340 0.004 0.000 0.278 291 L C -0.239 176.551 176.870 -0.133 0.000 1.022 291 L CA 0.276 55.038 54.840 -0.130 0.000 0.854 291 L CB 1.095 43.086 42.059 -0.113 0.000 1.226 291 L HN 0.798 nan 8.230 nan 0.000 0.429 292 T N 1.854 116.350 114.554 -0.096 0.000 2.925 292 T HA 0.582 4.934 4.350 0.004 0.000 0.285 292 T C 0.998 175.630 174.700 -0.113 0.000 1.021 292 T CA -0.026 62.018 62.100 -0.094 0.000 1.042 292 T CB 1.521 70.343 68.868 -0.077 0.000 1.037 292 T HN 0.674 nan 8.240 nan 0.000 0.481 293 G N 3.227 111.981 108.800 -0.076 0.000 3.042 293 G HA2 0.218 4.180 3.960 0.004 0.000 0.212 293 G HA3 0.218 4.180 3.960 0.004 0.000 0.212 293 G C 0.599 175.421 174.900 -0.129 0.000 1.166 293 G CA -0.288 44.764 45.100 -0.080 0.000 0.767 293 G HN 0.752 nan 8.290 nan 0.000 0.546 294 I N 0.493 120.958 120.570 -0.175 0.000 2.823 294 I HA 0.171 4.343 4.170 0.004 0.000 0.290 294 I C -0.252 175.646 176.117 -0.366 0.000 1.091 294 I CA -0.726 60.453 61.300 -0.201 0.000 1.365 294 I CB 1.154 39.069 38.000 -0.141 0.000 1.427 294 I HN 0.037 nan 8.210 nan 0.000 0.583 295 N N 4.190 122.738 118.700 -0.253 0.000 2.426 295 N HA 0.298 5.041 4.740 0.004 0.000 0.275 295 N C -1.224 174.174 175.510 -0.186 0.000 1.019 295 N CA -0.334 52.572 53.050 -0.241 0.000 0.941 295 N CB 0.557 38.985 38.487 -0.098 0.000 1.123 295 N HN 0.182 nan 8.380 nan 0.000 0.486 296 F N 1.514 121.468 119.950 0.006 0.000 2.389 296 F HA 0.284 4.813 4.527 0.003 0.000 0.337 296 F C 1.209 177.008 175.800 -0.002 0.000 1.112 296 F CA -0.732 57.270 58.000 0.003 0.000 1.192 296 F CB 0.205 39.204 39.000 -0.002 0.000 1.185 296 F HN 0.433 nan 8.300 nan 0.000 0.552 297 N N 1.319 120.152 118.700 0.223 0.000 2.412 297 N HA 0.348 5.090 4.740 0.004 0.000 0.258 297 N C 0.450 176.014 175.510 0.091 0.000 1.236 297 N CA 0.933 54.051 53.050 0.113 0.000 0.882 297 N CB 0.322 38.859 38.487 0.083 0.000 1.066 297 N HN 0.903 nan 8.380 nan 0.000 0.465 298 G N 2.560 111.393 108.800 0.056 0.000 2.698 298 G HA2 -0.197 3.765 3.960 0.004 0.000 0.225 298 G HA3 -0.197 3.765 3.960 0.004 0.000 0.225 298 G C -1.715 173.203 174.900 0.031 0.000 1.345 298 G CA -0.513 44.609 45.100 0.036 0.000 0.871 298 G HN 0.498 nan 8.290 nan 0.000 0.540 299 P HA 0.121 nan 4.420 nan 0.000 0.236 299 P C 1.066 178.355 177.300 -0.019 0.000 1.177 299 P CA 1.439 64.531 63.100 -0.013 0.000 0.773 299 P CB 0.055 31.739 31.700 -0.027 0.000 0.878 300 T N 0.222 114.784 114.554 0.014 0.000 2.900 300 T HA 0.349 4.702 4.350 0.004 0.000 0.307 300 T C 0.765 175.524 174.700 0.098 0.000 1.065 300 T CA 0.205 62.318 62.100 0.021 0.000 1.105 300 T CB 0.178 69.061 68.868 0.024 0.000 0.979 300 T HN 0.072 nan 8.240 nan 0.000 0.544 301 A N 2.482 125.343 122.820 0.070 0.000 2.605 301 A HA 0.697 5.019 4.320 0.004 0.000 0.292 301 A C 0.536 178.287 177.584 0.279 0.000 1.055 301 A CA 0.266 52.391 52.037 0.147 0.000 0.969 301 A CB -0.054 18.835 19.000 -0.184 0.000 1.236 301 A HN 1.311 nan 8.150 nan 0.000 0.534 302 G N -1.008 107.932 108.800 0.233 0.000 2.325 302 G HA2 0.549 4.511 3.960 0.004 0.000 0.297 302 G HA3 0.549 4.511 3.960 0.004 0.000 0.297 302 G C -2.244 172.648 174.900 -0.013 0.000 1.448 302 G CA -0.354 44.837 45.100 0.152 0.000 0.838 302 G HN 0.982 nan 8.290 nan 0.000 0.579 303 L N -0.410 120.788 121.223 -0.041 0.000 2.612 303 L HA 0.894 5.236 4.340 0.004 0.000 0.256 303 L C -0.077 176.755 176.870 -0.064 0.000 0.949 303 L CA 0.701 55.486 54.840 -0.092 0.000 0.867 303 L CB 2.196 44.104 42.059 -0.252 0.000 1.417 303 L HN 1.839 nan 8.230 nan 0.000 0.414 304 G N 1.304 110.047 108.800 -0.095 0.000 2.673 304 G HA2 0.450 4.413 3.960 0.004 0.000 0.292 304 G HA3 0.450 4.413 3.960 0.004 0.000 0.292 304 G C -2.111 172.679 174.900 -0.183 0.000 1.450 304 G CA -0.575 44.475 45.100 -0.084 0.000 0.837 304 G HN 0.330 nan 8.290 nan 0.000 0.505 305 Y N 0.360 120.710 120.300 0.083 0.000 2.496 305 Y HA 0.293 4.845 4.550 0.003 0.000 0.334 305 Y C 0.934 176.821 175.900 -0.021 0.000 1.080 305 Y CA -0.360 57.750 58.100 0.016 0.000 1.355 305 Y CB 1.220 39.734 38.460 0.089 0.000 1.193 305 Y HN 0.422 nan 8.280 nan 0.000 0.523 306 L N 3.964 125.210 121.223 0.038 0.000 2.534 306 L HA 0.284 4.626 4.340 0.004 0.000 0.271 306 L C 1.140 177.996 176.870 -0.023 0.000 1.178 306 L CA 0.751 55.569 54.840 -0.037 0.000 0.907 306 L CB -0.141 41.860 42.059 -0.095 0.000 1.164 306 L HN 0.894 nan 8.230 nan 0.000 0.482 307 G N 3.245 111.958 108.800 -0.146 0.000 2.225 307 G HA2 -0.285 3.677 3.960 0.004 0.000 0.267 307 G HA3 -0.285 3.677 3.960 0.004 0.000 0.267 307 G C 0.795 175.764 174.900 0.115 0.000 1.024 307 G CA 0.459 45.429 45.100 -0.216 0.000 0.784 307 G HN 1.260 nan 8.290 nan 0.000 0.507 308 G N -0.665 108.216 108.800 0.135 0.000 2.985 308 G HA2 0.342 4.304 3.960 0.004 0.000 0.209 308 G HA3 0.342 4.304 3.960 0.004 0.000 0.209 308 G C 0.776 175.798 174.900 0.202 0.000 1.165 308 G CA 0.261 45.494 45.100 0.222 0.000 0.776 308 G HN 0.868 nan 8.290 nan 0.000 0.541 309 I N 0.494 121.174 120.570 0.184 0.000 2.906 309 I HA 0.004 4.176 4.170 0.004 0.000 0.301 309 I C 1.276 177.490 176.117 0.162 0.000 1.221 309 I CA 0.133 61.537 61.300 0.173 0.000 1.435 309 I CB 0.001 38.122 38.000 0.200 0.000 1.345 309 I HN 0.315 nan 8.210 nan 0.000 0.558 310 c N 3.045 121.704 118.600 0.099 0.000 5.688 310 c HA -0.222 4.350 4.570 0.004 0.000 0.291 310 c C 1.037 175.136 174.090 0.015 0.000 2.111 310 c CA 0.451 56.810 56.329 0.051 0.000 1.870 310 c CB -3.035 39.520 42.510 0.076 0.000 2.828 310 c HN 0.968 nan 8.230 nan 0.000 0.449 311 N N 1.576 120.303 118.700 0.044 0.000 2.468 311 N HA 0.103 4.845 4.740 0.004 0.000 0.265 311 N C 1.223 176.680 175.510 -0.088 0.000 1.199 311 N CA 1.157 54.210 53.050 0.005 0.000 0.928 311 N CB 1.270 39.809 38.487 0.088 0.000 1.059 311 N HN 0.730 nan 8.380 nan 0.000 0.467 312 T N 1.571 116.044 114.554 -0.136 0.000 3.051 312 T HA -0.060 4.292 4.350 0.004 0.000 0.269 312 T C 1.675 176.215 174.700 -0.268 0.000 1.127 312 T CA 1.031 63.016 62.100 -0.192 0.000 1.107 312 T CB 0.077 68.843 68.868 -0.170 0.000 0.898 312 T HN 0.566 nan 8.240 nan 0.000 0.517 313 M N -1.296 118.071 119.600 -0.389 0.000 2.538 313 M HA 0.331 4.814 4.480 0.004 0.000 0.259 313 M C 0.702 176.471 176.300 -0.885 0.000 1.217 313 M CA 0.400 55.290 55.300 -0.683 0.000 1.131 313 M CB 0.720 32.722 32.600 -0.996 0.000 1.382 313 M HN 0.149 nan 8.290 nan 0.000 0.520 314 Y N -1.399 118.782 120.300 -0.199 0.000 2.500 314 Y HA 0.330 4.882 4.550 0.004 0.000 0.246 314 Y C 1.228 177.179 175.900 0.084 0.000 1.146 314 Y CA -0.647 57.305 58.100 -0.248 0.000 1.230 314 Y CB 0.337 38.572 38.460 -0.374 0.000 1.214 314 Y HN -0.075 nan 8.280 nan 0.000 0.526 315 S N 1.638 117.428 115.700 0.150 0.000 4.120 315 S HA 0.648 5.120 4.470 0.004 0.000 0.215 315 S C -0.039 174.702 174.600 0.235 0.000 1.347 315 S CA 0.031 58.339 58.200 0.180 0.000 0.889 315 S CB -1.118 62.132 63.200 0.084 0.000 1.585 315 S HN 0.324 nan 8.310 nan 0.000 0.447 316 A N 2.107 125.146 122.820 0.365 0.000 2.606 316 A HA 0.905 5.227 4.320 0.004 0.000 0.293 316 A C -0.142 177.677 177.584 0.392 0.000 1.082 316 A CA -0.392 51.898 52.037 0.422 0.000 0.685 316 A CB 1.324 20.596 19.000 0.454 0.000 1.284 316 A HN 0.818 nan 8.150 nan 0.000 0.408 317 G N -0.584 108.453 108.800 0.394 0.000 2.692 317 G HA2 0.745 4.707 3.960 0.004 0.000 0.291 317 G HA3 0.745 4.707 3.960 0.004 0.000 0.291 317 G C -1.071 173.939 174.900 0.183 0.000 1.423 317 G CA -0.027 45.215 45.100 0.237 0.000 0.843 317 G HN 1.712 nan 8.290 nan 0.000 0.486 318 I N -1.954 118.664 120.570 0.079 0.000 2.730 318 I HA 0.886 5.058 4.170 0.004 0.000 0.298 318 I C -1.204 174.999 176.117 0.142 0.000 1.089 318 I CA -1.346 59.965 61.300 0.018 0.000 1.041 318 I CB 2.383 40.377 38.000 -0.009 0.000 1.235 318 I HN 0.352 nan 8.210 nan 0.000 0.423 319 V N 3.621 123.645 119.914 0.183 0.000 2.888 319 V HA 0.384 4.506 4.120 0.004 0.000 0.309 319 V C -0.562 175.638 176.094 0.178 0.000 1.114 319 V CA -0.513 61.925 62.300 0.230 0.000 0.940 319 V CB 1.765 33.673 31.823 0.143 0.000 1.021 319 V HN 0.889 nan 8.190 nan 0.000 0.426 320 Q N 1.387 121.289 119.800 0.170 0.000 2.267 320 Q HA 0.253 4.595 4.340 0.004 0.000 0.255 320 Q C -0.452 175.577 176.000 0.049 0.000 0.923 320 Q CA -0.409 55.364 55.803 -0.051 0.000 0.925 320 Q CB 1.057 29.710 28.738 -0.141 0.000 1.195 320 Q HN 0.829 nan 8.270 nan 0.000 0.417 321 D N 1.986 122.368 120.400 -0.029 0.000 2.671 321 D HA -0.025 4.618 4.640 0.004 0.000 0.228 321 D C 0.789 177.047 176.300 -0.070 0.000 1.102 321 D CA 0.134 54.112 54.000 -0.037 0.000 1.044 321 D CB -0.086 40.719 40.800 0.009 0.000 1.113 321 D HN 0.621 nan 8.370 nan 0.000 0.480 322 H N -0.481 118.559 119.070 -0.050 0.000 2.555 322 H HA 0.168 4.726 4.556 0.004 0.000 0.269 322 H C 0.126 175.421 175.328 -0.055 0.000 0.988 322 H CA 0.131 56.142 56.048 -0.062 0.000 1.178 322 H CB 0.199 29.929 29.762 -0.054 0.000 1.373 322 H HN 0.067 nan 8.280 nan 0.000 0.588 323 S N -0.956 114.452 115.700 -0.487 0.000 2.541 323 S HA 0.231 4.703 4.470 0.004 0.000 0.271 323 S C 0.590 175.067 174.600 -0.204 0.000 1.133 323 S CA -0.939 57.080 58.200 -0.303 0.000 0.876 323 S CB 1.819 64.796 63.200 -0.371 0.000 1.105 323 S HN 0.339 nan 8.310 nan 0.000 0.470 324 K N 2.061 122.383 120.400 -0.130 0.000 2.147 324 K HA 0.062 4.384 4.320 0.004 0.000 0.205 324 K C 0.445 176.995 176.600 -0.082 0.000 1.049 324 K CA 1.005 57.245 56.287 -0.079 0.000 0.936 324 K CB -0.107 32.351 32.500 -0.069 0.000 0.722 324 K HN 0.625 nan 8.250 nan 0.000 0.446 325 I N 3.305 123.774 120.570 -0.169 0.000 2.483 325 I HA -0.053 4.119 4.170 0.004 0.000 0.291 325 I C 1.125 177.073 176.117 -0.282 0.000 1.112 325 I CA 0.423 61.559 61.300 -0.272 0.000 1.350 325 I CB -0.201 37.554 38.000 -0.409 0.000 1.419 325 I HN 0.340 nan 8.210 nan 0.000 0.523 326 H N 6.515 125.511 119.070 -0.123 0.000 2.421 326 H HA -0.189 4.369 4.556 0.004 0.000 0.298 326 H C 1.974 177.293 175.328 -0.014 0.000 1.087 326 H CA 2.054 58.059 56.048 -0.072 0.000 1.330 326 H CB -0.644 29.106 29.762 -0.019 0.000 1.388 326 H HN 0.719 nan 8.280 nan 0.000 0.526 327 H N 0.434 119.423 119.070 -0.134 0.000 2.491 327 H HA -0.023 4.535 4.556 0.003 0.000 0.290 327 H C 1.608 177.027 175.328 0.152 0.000 1.050 327 H CA 1.058 57.175 56.048 0.115 0.000 1.309 327 H CB -0.153 29.699 29.762 0.150 0.000 1.392 327 H HN 0.439 nan 8.280 nan 0.000 0.554 328 L N 0.656 121.767 121.223 -0.187 0.000 2.131 328 L HA -0.068 4.274 4.340 0.004 0.000 0.206 328 L C 2.727 179.637 176.870 0.067 0.000 1.087 328 L CA 0.359 55.174 54.840 -0.042 0.000 0.767 328 L CB -0.061 41.892 42.059 -0.177 0.000 0.917 328 L HN 0.124 nan 8.230 nan 0.000 0.441 329 V N 0.217 120.093 119.914 -0.063 0.000 2.427 329 V HA -0.233 3.889 4.120 0.004 0.000 0.248 329 V C 2.756 178.925 176.094 0.125 0.000 1.051 329 V CA 1.655 63.946 62.300 -0.014 0.000 1.048 329 V CB -0.738 31.032 31.823 -0.088 0.000 0.666 329 V HN 0.448 nan 8.190 nan 0.000 0.456 330 A N -0.006 122.909 122.820 0.159 0.000 1.902 330 A HA -0.187 4.136 4.320 0.004 0.000 0.217 330 A C 2.182 179.889 177.584 0.205 0.000 1.181 330 A CA 1.905 54.053 52.037 0.185 0.000 0.623 330 A CB -0.528 18.605 19.000 0.221 0.000 0.818 330 A HN 0.506 nan 8.150 nan 0.000 0.443 331 I N -0.409 120.303 120.570 0.236 0.000 2.315 331 I HA -0.256 3.916 4.170 0.004 0.000 0.248 331 I C 2.942 179.165 176.117 0.177 0.000 1.117 331 I CA 0.913 62.332 61.300 0.199 0.000 1.404 331 I CB -0.261 37.842 38.000 0.171 0.000 1.071 331 I HN 0.366 nan 8.210 nan 0.000 0.419 332 A N 0.396 123.330 122.820 0.190 0.000 1.902 332 A HA -0.269 4.053 4.320 0.004 0.000 0.217 332 A C 2.388 180.090 177.584 0.196 0.000 1.181 332 A CA 1.861 53.994 52.037 0.160 0.000 0.623 332 A CB -0.617 18.515 19.000 0.220 0.000 0.818 332 A HN 0.443 nan 8.150 nan 0.000 0.443 333 M N -0.474 119.242 119.600 0.194 0.000 2.175 333 M HA -0.080 4.403 4.480 0.004 0.000 0.264 333 M C 2.191 178.634 176.300 0.238 0.000 1.063 333 M CA 1.553 56.968 55.300 0.191 0.000 1.119 333 M CB -0.183 32.507 32.600 0.150 0.000 1.377 333 M HN 0.408 nan 8.290 nan 0.000 0.415 334 A N -1.173 121.806 122.820 0.264 0.000 2.015 334 A HA -0.232 4.091 4.320 0.004 0.000 0.219 334 A C 1.755 179.546 177.584 0.345 0.000 1.163 334 A CA 1.965 54.228 52.037 0.377 0.000 0.646 334 A CB -1.122 18.030 19.000 0.253 0.000 0.806 334 A HN 0.790 nan 8.150 nan 0.000 0.448 335 H N -0.386 118.766 119.070 0.137 0.000 2.326 335 H HA -0.086 4.473 4.556 0.003 0.000 0.301 335 H C 1.967 177.308 175.328 0.021 0.000 1.081 335 H CA 1.741 57.820 56.048 0.051 0.000 1.334 335 H CB 0.145 29.927 29.762 0.034 0.000 1.385 335 H HN 0.357 nan 8.280 nan 0.000 0.504 336 E N 0.416 120.814 120.200 0.331 0.000 2.072 336 E HA -0.154 4.198 4.350 0.004 0.000 0.191 336 E C 2.333 179.059 176.600 0.209 0.000 0.985 336 E CA 1.136 57.719 56.400 0.305 0.000 0.801 336 E CB -0.262 29.598 29.700 0.267 0.000 0.750 336 E HN 0.637 nan 8.360 nan 0.000 0.452 337 M N 0.175 119.891 119.600 0.194 0.000 2.213 337 M HA -0.066 4.416 4.480 0.004 0.000 0.263 337 M C 2.309 178.672 176.300 0.104 0.000 1.062 337 M CA 1.569 56.946 55.300 0.128 0.000 1.105 337 M CB -0.541 32.100 32.600 0.069 0.000 1.385 337 M HN 0.140 nan 8.290 nan 0.000 0.417 338 G N -0.255 108.641 108.800 0.159 0.000 2.446 338 G HA2 -0.244 3.718 3.960 0.004 0.000 0.217 338 G HA3 -0.244 3.718 3.960 0.004 0.000 0.217 338 G C 1.277 176.130 174.900 -0.079 0.000 1.168 338 G CA 0.990 46.124 45.100 0.057 0.000 0.771 338 G HN 0.413 nan 8.290 nan 0.000 0.551 339 H N 0.687 119.726 119.070 -0.052 0.000 2.353 339 H HA -0.039 4.519 4.556 0.003 0.000 0.300 339 H C 2.612 177.869 175.328 -0.117 0.000 1.090 339 H CA 1.388 57.371 56.048 -0.108 0.000 1.327 339 H CB -0.505 29.213 29.762 -0.073 0.000 1.383 339 H HN 0.463 nan 8.280 nan 0.000 0.508 340 N N 0.443 119.194 118.700 0.084 0.000 2.205 340 N HA -0.103 4.639 4.740 0.004 0.000 0.186 340 N C 1.022 176.465 175.510 -0.113 0.000 1.015 340 N CA 0.373 53.447 53.050 0.041 0.000 0.862 340 N CB -0.035 38.514 38.487 0.103 0.000 0.986 340 N HN 0.177 nan 8.380 nan 0.000 0.429 341 L N 0.174 121.310 121.223 -0.144 0.000 2.672 341 L HA 0.216 4.558 4.340 0.004 0.000 0.236 341 L C 1.088 177.654 176.870 -0.506 0.000 1.186 341 L CA -0.201 54.525 54.840 -0.190 0.000 0.977 341 L CB -0.236 41.784 42.059 -0.065 0.000 1.203 341 L HN 0.230 nan 8.230 nan 0.000 0.448 342 G N -0.252 108.062 108.800 -0.810 0.000 2.148 342 G HA2 -0.311 3.651 3.960 0.004 0.000 0.254 342 G HA3 -0.311 3.651 3.960 0.004 0.000 0.254 342 G C 0.253 175.014 174.900 -0.231 0.000 0.981 342 G CA 0.069 44.668 45.100 -0.835 0.000 0.670 342 G HN 0.327 nan 8.290 nan 0.000 0.528 343 M N 0.740 120.263 119.600 -0.128 0.000 2.342 343 M HA 0.463 4.946 4.480 0.004 0.000 0.332 343 M C -0.044 176.261 176.300 0.007 0.000 1.166 343 M CA -0.452 54.819 55.300 -0.048 0.000 1.086 343 M CB 0.857 33.406 32.600 -0.086 0.000 1.541 343 M HN 0.068 nan 8.290 nan 0.000 0.462 344 D N -0.693 119.719 120.400 0.020 0.000 2.506 344 D HA 0.325 4.967 4.640 0.004 0.000 0.254 344 D C -0.768 175.572 176.300 0.067 0.000 1.089 344 D CA -0.513 53.510 54.000 0.039 0.000 1.050 344 D CB 0.652 41.470 40.800 0.030 0.000 1.221 344 D HN 0.584 nan 8.370 nan 0.000 0.589 345 H N 0.165 119.317 119.070 0.135 0.000 2.707 345 H HA 0.058 4.616 4.556 0.004 0.000 0.359 345 H C -0.195 175.171 175.328 0.064 0.000 1.113 345 H CA -0.364 55.745 56.048 0.103 0.000 1.422 345 H CB 0.719 30.572 29.762 0.151 0.000 1.443 345 H HN 0.080 nan 8.280 nan 0.000 0.591 346 D N 3.251 123.762 120.400 0.186 0.000 2.425 346 D HA 0.008 4.650 4.640 0.004 0.000 0.247 346 D C 0.242 176.596 176.300 0.089 0.000 1.147 346 D CA 0.185 54.248 54.000 0.106 0.000 0.879 346 D CB 0.839 41.681 40.800 0.070 0.000 1.179 346 D HN 0.267 nan 8.370 nan 0.000 0.456 347 K N 1.443 121.886 120.400 0.072 0.000 2.126 347 K HA 0.031 4.353 4.320 0.004 0.000 0.257 347 K C 0.873 177.496 176.600 0.038 0.000 1.007 347 K CA -0.306 56.014 56.287 0.056 0.000 0.928 347 K CB 0.748 33.278 32.500 0.049 0.000 1.013 347 K HN 0.416 nan 8.250 nan 0.000 0.473 348 D N -0.839 119.578 120.400 0.029 0.000 2.315 348 D HA -0.171 4.471 4.640 0.004 0.000 0.211 348 D C 0.929 177.239 176.300 0.017 0.000 0.977 348 D CA 1.574 55.584 54.000 0.018 0.000 0.894 348 D CB -0.184 40.624 40.800 0.014 0.000 0.910 348 D HN 0.590 nan 8.370 nan 0.000 0.490 349 T N -3.002 111.565 114.554 0.022 0.000 3.081 349 T HA 0.166 4.518 4.350 0.004 0.000 0.250 349 T C 0.754 175.468 174.700 0.023 0.000 1.100 349 T CA -0.437 61.675 62.100 0.020 0.000 1.038 349 T CB -0.578 68.303 68.868 0.021 0.000 0.962 349 T HN 0.164 nan 8.240 nan 0.000 0.516 350 c N 2.388 121.005 118.600 0.028 0.000 2.514 350 c HA 0.767 5.339 4.570 0.004 0.000 0.392 350 c C 0.798 174.904 174.090 0.025 0.000 1.294 350 c CA -0.600 55.748 56.329 0.033 0.000 1.957 350 c CB 0.099 42.635 42.510 0.044 0.000 2.541 350 c HN 0.556 nan 8.230 nan 0.000 0.569 351 T N 0.448 115.017 114.554 0.025 0.000 2.864 351 T HA 0.561 4.913 4.350 0.004 0.000 0.299 351 T C 0.154 174.866 174.700 0.020 0.000 1.166 351 T CA -0.423 61.687 62.100 0.016 0.000 1.007 351 T CB 1.148 70.023 68.868 0.011 0.000 1.219 351 T HN 0.972 nan 8.240 nan 0.000 0.506 352 c N 0.408 119.014 118.600 0.009 0.000 3.865 352 c HA 0.834 5.406 4.570 0.004 0.000 0.297 352 c C 1.140 175.229 174.090 -0.000 0.000 1.758 352 c CA 0.214 56.550 56.329 0.011 0.000 1.778 352 c CB -0.860 41.651 42.510 0.002 0.000 3.158 352 c HN 1.426 nan 8.230 nan 0.000 0.598 353 G N 1.369 110.167 108.800 -0.004 0.000 2.240 353 G HA2 0.170 4.132 3.960 0.004 0.000 0.199 353 G HA3 0.170 4.132 3.960 0.004 0.000 0.199 353 G C 0.270 175.161 174.900 -0.015 0.000 1.342 353 G CA 0.384 45.479 45.100 -0.008 0.000 1.145 353 G HN 0.120 nan 8.290 nan 0.000 0.477 354 T N 1.463 116.005 114.554 -0.021 0.000 2.698 354 T HA 0.120 4.472 4.350 0.004 0.000 0.260 354 T C 1.474 176.153 174.700 -0.035 0.000 1.044 354 T CA 1.373 63.458 62.100 -0.025 0.000 1.149 354 T CB -0.227 68.626 68.868 -0.025 0.000 0.864 354 T HN 0.536 nan 8.240 nan 0.000 0.419 355 R N 1.943 122.414 120.500 -0.050 0.000 2.774 355 R HA 0.214 4.556 4.340 0.004 0.000 0.269 355 R C -2.296 173.965 176.300 -0.066 0.000 1.068 355 R CA -1.359 54.700 56.100 -0.068 0.000 1.180 355 R CB -0.266 29.974 30.300 -0.100 0.000 1.077 355 R HN 0.283 nan 8.270 nan 0.000 0.513 356 P HA 0.110 nan 4.420 nan 0.000 0.274 356 P C -0.509 176.742 177.300 -0.081 0.000 1.237 356 P CA -0.398 62.665 63.100 -0.062 0.000 0.793 356 P CB 0.675 32.339 31.700 -0.059 0.000 0.977 357 c N 0.280 118.842 118.600 -0.063 0.000 2.335 357 c HA 0.206 4.778 4.570 0.004 0.000 0.363 357 c C 2.580 176.609 174.090 -0.102 0.000 1.198 357 c CA -0.615 55.658 56.329 -0.094 0.000 2.279 357 c CB 0.465 42.942 42.510 -0.055 0.000 2.334 357 c HN 0.457 nan 8.230 nan 0.000 0.559 358 V N 1.368 121.148 119.914 -0.223 0.000 2.277 358 V HA -0.263 3.859 4.120 0.004 0.000 0.253 358 V C 1.977 178.082 176.094 0.018 0.000 1.067 358 V CA 2.034 64.201 62.300 -0.221 0.000 1.047 358 V CB -0.427 30.966 31.823 -0.716 0.000 0.649 358 V HN 0.810 nan 8.190 nan 0.000 0.447 359 M N -0.289 119.305 119.600 -0.010 0.000 2.581 359 M HA 0.304 4.786 4.480 0.004 0.000 0.224 359 M C 0.852 177.243 176.300 0.151 0.000 1.171 359 M CA -0.652 54.642 55.300 -0.010 0.000 0.993 359 M CB -1.530 31.058 32.600 -0.020 0.000 1.685 359 M HN 0.311 nan 8.290 nan 0.000 0.479 360 A N 0.227 123.117 122.820 0.116 0.000 2.540 360 A HA 0.381 4.703 4.320 0.004 0.000 0.239 360 A C 1.542 179.130 177.584 0.007 0.000 1.061 360 A CA 0.596 52.658 52.037 0.041 0.000 0.758 360 A CB -0.166 18.827 19.000 -0.012 0.000 0.991 360 A HN 0.603 nan 8.150 nan 0.000 0.502 361 G N 1.037 109.727 108.800 -0.184 0.000 2.744 361 G HA2 0.388 4.350 3.960 0.004 0.000 0.211 361 G HA3 0.388 4.350 3.960 0.004 0.000 0.211 361 G C 0.512 175.179 174.900 -0.389 0.000 1.143 361 G CA 0.927 45.646 45.100 -0.636 0.000 0.788 361 G HN 1.416 nan 8.290 nan 0.000 0.534 362 A N -0.142 122.549 122.820 -0.216 0.000 2.371 362 A HA 0.644 4.966 4.320 0.004 0.000 0.311 362 A C -0.348 177.137 177.584 -0.165 0.000 1.068 362 A CA -0.676 51.258 52.037 -0.171 0.000 0.744 362 A CB 1.238 20.170 19.000 -0.114 0.000 1.239 362 A HN 0.185 nan 8.150 nan 0.000 0.435 363 L N 2.438 123.551 121.223 -0.183 0.000 2.615 363 L HA 0.271 4.614 4.340 0.004 0.000 0.271 363 L C 0.439 177.228 176.870 -0.135 0.000 1.183 363 L CA 0.535 55.252 54.840 -0.204 0.000 0.933 363 L CB 0.422 42.328 42.059 -0.255 0.000 1.199 363 L HN 0.836 nan 8.230 nan 0.000 0.487 364 S N 2.869 118.505 115.700 -0.107 0.000 2.651 364 S HA 0.363 4.835 4.470 0.004 0.000 0.279 364 S C 0.461 175.035 174.600 -0.043 0.000 1.148 364 S CA -0.451 57.708 58.200 -0.069 0.000 0.837 364 S CB 1.508 64.669 63.200 -0.066 0.000 1.138 364 S HN 0.788 nan 8.310 nan 0.000 0.478 365 C N 0.680 119.959 119.300 -0.035 0.000 2.912 365 C HA 0.552 5.014 4.460 0.004 0.000 0.274 365 C C 1.493 176.461 174.990 -0.037 0.000 1.248 365 C CA -0.024 58.979 59.018 -0.026 0.000 1.694 365 C CB -1.439 26.288 27.740 -0.022 0.000 2.024 365 C HN 0.838 nan 8.230 nan 0.000 0.605 366 E N 2.355 122.525 120.200 -0.051 0.000 2.482 366 E HA 0.333 4.685 4.350 0.004 0.000 0.196 366 E C 1.290 177.827 176.600 -0.104 0.000 1.047 366 E CA 0.543 56.904 56.400 -0.066 0.000 0.869 366 E CB -0.298 29.366 29.700 -0.060 0.000 0.836 366 E HN 0.740 nan 8.360 nan 0.000 0.520 367 A N 1.421 124.180 122.820 -0.100 0.000 2.600 367 A HA 0.065 4.387 4.320 0.004 0.000 0.253 367 A C 0.759 178.176 177.584 -0.279 0.000 0.997 367 A CA 0.682 52.634 52.037 -0.141 0.000 0.820 367 A CB -0.271 18.675 19.000 -0.090 0.000 0.888 367 A HN 0.244 nan 8.150 nan 0.000 0.508 368 S N 1.973 117.498 115.700 -0.293 0.000 2.730 368 S HA 0.678 5.150 4.470 0.004 0.000 0.284 368 S C 0.181 174.520 174.600 -0.435 0.000 1.153 368 S CA -0.431 57.516 58.200 -0.423 0.000 0.995 368 S CB 0.654 63.714 63.200 -0.233 0.000 1.058 368 S HN 0.526 nan 8.310 nan 0.000 0.552 369 F N -0.312 119.542 119.950 -0.161 0.000 2.693 369 F HA 0.375 4.904 4.527 0.004 0.000 0.303 369 F C -0.298 175.317 175.800 -0.309 0.000 1.097 369 F CA -0.585 57.285 58.000 -0.216 0.000 1.330 369 F CB 0.265 39.170 39.000 -0.157 0.000 1.067 369 F HN 0.114 nan 8.300 nan 0.000 0.565 370 L N -0.247 120.888 121.223 -0.146 0.000 2.331 370 L HA 0.386 4.728 4.340 0.004 0.000 0.275 370 L C -0.473 176.213 176.870 -0.308 0.000 1.022 370 L CA -1.137 53.597 54.840 -0.176 0.000 0.812 370 L CB 0.609 42.639 42.059 -0.048 0.000 1.257 370 L HN -0.158 nan 8.230 nan 0.000 0.435 371 F N 0.256 120.169 119.950 -0.062 0.000 2.394 371 F HA 0.403 4.933 4.527 0.003 0.000 0.340 371 F C 0.982 176.762 175.800 -0.033 0.000 1.105 371 F CA -0.311 57.648 58.000 -0.069 0.000 1.124 371 F CB 1.285 40.224 39.000 -0.102 0.000 1.145 371 F HN 0.525 nan 8.300 nan 0.000 0.505 372 S N 0.523 116.313 115.700 0.150 0.000 2.603 372 S HA 0.106 4.578 4.470 0.004 0.000 0.268 372 S C 0.821 175.484 174.600 0.105 0.000 1.317 372 S CA -0.330 57.926 58.200 0.093 0.000 1.012 372 S CB 0.902 64.142 63.200 0.066 0.000 0.926 372 S HN 0.663 nan 8.310 nan 0.000 0.539 373 D N 0.950 121.394 120.400 0.074 0.000 2.133 373 D HA -0.187 4.455 4.640 0.004 0.000 0.195 373 D C 1.670 178.010 176.300 0.068 0.000 0.997 373 D CA 1.565 55.605 54.000 0.066 0.000 0.840 373 D CB -1.145 39.685 40.800 0.049 0.000 0.947 373 D HN 0.541 nan 8.370 nan 0.000 0.452 374 c N 0.021 118.661 118.600 0.066 0.000 2.413 374 c HA -0.072 4.500 4.570 0.004 0.000 0.277 374 c C 2.997 177.131 174.090 0.074 0.000 1.265 374 c CA 1.036 57.404 56.329 0.064 0.000 1.752 374 c CB -1.201 41.346 42.510 0.062 0.000 1.998 374 c HN 0.400 nan 8.230 nan 0.000 0.489 375 S N 0.136 115.890 115.700 0.090 0.000 2.355 375 S HA -0.210 4.262 4.470 0.004 0.000 0.222 375 S C 1.879 176.514 174.600 0.059 0.000 1.031 375 S CA 1.291 59.541 58.200 0.084 0.000 0.993 375 S CB -0.382 62.920 63.200 0.171 0.000 0.859 375 S HN 0.675 nan 8.310 nan 0.000 0.453 376 Q N 0.799 120.639 119.800 0.067 0.000 2.135 376 Q HA -0.161 4.181 4.340 0.004 0.000 0.204 376 Q C 2.202 178.257 176.000 0.093 0.000 0.981 376 Q CA 1.473 57.318 55.803 0.069 0.000 0.856 376 Q CB -0.111 28.669 28.738 0.071 0.000 0.902 376 Q HN 0.454 nan 8.270 nan 0.000 0.425 377 K N 0.428 120.874 120.400 0.077 0.000 2.001 377 K HA -0.184 4.138 4.320 0.004 0.000 0.208 377 K C 1.335 177.983 176.600 0.080 0.000 1.048 377 K CA 1.739 58.067 56.287 0.067 0.000 0.932 377 K CB 0.051 32.584 32.500 0.055 0.000 0.715 377 K HN 0.059 nan 8.250 nan 0.000 0.437 378 D N -0.206 120.247 120.400 0.088 0.000 2.149 378 D HA -0.178 4.464 4.640 0.004 0.000 0.198 378 D C 1.858 178.252 176.300 0.157 0.000 0.990 378 D CA 1.170 55.232 54.000 0.103 0.000 0.839 378 D CB -0.318 40.531 40.800 0.082 0.000 0.948 378 D HN 0.397 nan 8.370 nan 0.000 0.460 379 H N 0.935 120.031 119.070 0.043 0.000 2.321 379 H HA -0.003 4.555 4.556 0.003 0.000 0.300 379 H C 2.088 177.499 175.328 0.138 0.000 1.087 379 H CA 1.911 58.001 56.048 0.069 0.000 1.319 379 H CB 0.045 29.783 29.762 -0.040 0.000 1.379 379 H HN -0.030 nan 8.280 nan 0.000 0.501 380 R N 0.085 120.574 120.500 -0.019 0.000 2.080 380 R HA -0.185 4.157 4.340 0.004 0.000 0.236 380 R C 2.253 178.528 176.300 -0.043 0.000 1.137 380 R CA 2.003 58.062 56.100 -0.068 0.000 0.943 380 R CB -0.227 30.075 30.300 0.004 0.000 0.846 380 R HN 0.339 nan 8.270 nan 0.000 0.431 381 E N 0.146 120.355 120.200 0.014 0.000 2.085 381 E HA -0.228 4.124 4.350 0.004 0.000 0.194 381 E C 1.658 178.258 176.600 -0.000 0.000 0.994 381 E CA 1.639 58.046 56.400 0.011 0.000 0.801 381 E CB -0.537 29.187 29.700 0.041 0.000 0.743 381 E HN 0.406 nan 8.360 nan 0.000 0.453 382 F N 0.623 120.534 119.950 -0.065 0.000 2.091 382 F HA -0.182 4.347 4.527 0.003 0.000 0.299 382 F C 1.882 177.622 175.800 -0.100 0.000 1.103 382 F CA 1.646 59.611 58.000 -0.058 0.000 1.228 382 F CB -0.340 38.653 39.000 -0.011 0.000 0.984 382 F HN 0.065 nan 8.300 nan 0.000 0.477 383 L N -0.232 120.874 121.223 -0.196 0.000 2.017 383 L HA -0.240 4.103 4.340 0.004 0.000 0.208 383 L C 2.540 179.210 176.870 -0.332 0.000 1.073 383 L CA 1.483 56.181 54.840 -0.237 0.000 0.745 383 L CB -0.733 41.293 42.059 -0.054 0.000 0.894 383 L HN 0.186 nan 8.230 nan 0.000 0.432 384 I N -0.081 120.361 120.570 -0.212 0.000 2.163 384 I HA -0.340 3.832 4.170 0.004 0.000 0.243 384 I C 2.653 178.615 176.117 -0.259 0.000 1.085 384 I CA 1.526 62.710 61.300 -0.194 0.000 1.347 384 I CB -0.319 37.619 38.000 -0.104 0.000 1.044 384 I HN 0.241 nan 8.210 nan 0.000 0.408 385 K N 0.475 120.718 120.400 -0.261 0.000 2.148 385 K HA -0.097 4.225 4.320 0.004 0.000 0.204 385 K C 1.545 177.945 176.600 -0.333 0.000 1.050 385 K CA 1.186 57.321 56.287 -0.253 0.000 0.942 385 K CB 0.162 32.545 32.500 -0.195 0.000 0.724 385 K HN 0.363 nan 8.250 nan 0.000 0.446 386 N N -0.404 117.993 118.700 -0.504 0.000 2.257 386 N HA 0.095 4.837 4.740 0.004 0.000 0.200 386 N C -0.334 174.889 175.510 -0.478 0.000 1.163 386 N CA 0.134 52.889 53.050 -0.491 0.000 0.891 386 N CB 0.550 38.621 38.487 -0.692 0.000 1.067 386 N HN 0.053 nan 8.380 nan 0.000 0.497 387 M N 1.843 121.040 119.600 -0.672 0.000 2.405 387 M HA -0.121 4.361 4.480 0.004 0.000 0.181 387 M C -2.417 173.609 176.300 -0.457 0.000 0.878 387 M CA 0.194 54.841 55.300 -1.087 0.000 0.537 387 M CB -1.379 30.590 32.600 -1.051 0.000 1.090 387 M HN -0.067 nan 8.290 nan 0.000 0.874 388 P HA -0.055 nan 4.420 nan 0.000 0.261 388 P C 0.338 177.783 177.300 0.243 0.000 1.203 388 P CA 0.405 63.552 63.100 0.078 0.000 0.767 388 P CB 0.614 32.409 31.700 0.160 0.000 0.785 389 Q N 2.387 122.284 119.800 0.162 0.000 2.230 389 Q HA -0.094 4.248 4.340 0.004 0.000 0.202 389 Q C 2.144 178.228 176.000 0.139 0.000 0.963 389 Q CA 1.442 57.353 55.803 0.180 0.000 0.866 389 Q CB -1.172 27.626 28.738 0.100 0.000 0.931 389 Q HN 0.704 nan 8.270 nan 0.000 0.452 390 c N 0.293 118.960 118.600 0.111 0.000 2.419 390 c HA -0.003 4.569 4.570 0.004 0.000 0.281 390 c C 2.368 176.527 174.090 0.115 0.000 1.336 390 c CA 0.212 56.595 56.329 0.089 0.000 1.770 390 c CB -1.369 41.176 42.510 0.058 0.000 1.929 390 c HN 0.552 nan 8.230 nan 0.000 0.509 391 I N -0.972 119.682 120.570 0.141 0.000 3.444 391 I HA 0.160 4.332 4.170 0.004 0.000 0.287 391 I C 1.762 177.990 176.117 0.185 0.000 1.302 391 I CA 0.769 62.163 61.300 0.157 0.000 1.368 391 I CB -0.495 37.586 38.000 0.134 0.000 1.048 391 I HN 0.286 nan 8.210 nan 0.000 0.487 392 L N 0.831 122.142 121.223 0.148 0.000 2.477 392 L HA 0.178 4.520 4.340 0.004 0.000 0.220 392 L C 1.275 178.267 176.870 0.202 0.000 1.106 392 L CA 0.317 55.241 54.840 0.140 0.000 0.851 392 L CB -0.091 42.006 42.059 0.063 0.000 0.994 392 L HN 0.190 nan 8.230 nan 0.000 0.462 393 K N 2.256 122.739 120.400 0.139 0.000 2.285 393 K HA 0.097 4.419 4.320 0.004 0.000 0.286 393 K C -0.054 176.461 176.600 -0.143 0.000 1.072 393 K CA -0.312 55.994 56.287 0.032 0.000 0.913 393 K CB 0.721 33.237 32.500 0.026 0.000 1.067 393 K HN -0.147 nan 8.250 nan 0.000 0.479 394 K N 6.290 126.463 120.400 -0.377 0.000 2.322 394 K HA 0.197 4.520 4.320 0.004 0.000 0.283 394 K C -2.127 174.280 176.600 -0.321 0.000 1.042 394 K CA -1.491 54.284 56.287 -0.853 0.000 0.958 394 K CB 0.686 32.777 32.500 -0.683 0.000 0.984 394 K HN 0.415 nan 8.250 nan 0.000 0.473 395 P HA 0.109 nan 4.420 nan 0.000 0.277 395 P C -0.506 176.845 177.300 0.085 0.000 1.240 395 P CA -0.371 62.718 63.100 -0.018 0.000 0.798 395 P CB 0.775 32.476 31.700 0.002 0.000 0.979 396 L N 2.227 123.491 121.223 0.069 0.000 2.452 396 L HA 0.127 4.469 4.340 0.004 0.000 0.267 396 L C 2.045 178.997 176.870 0.138 0.000 1.188 396 L CA -0.272 54.613 54.840 0.076 0.000 0.821 396 L CB 0.032 42.117 42.059 0.043 0.000 1.102 396 L HN 0.405 nan 8.230 nan 0.000 0.470 397 K N 0.253 120.719 120.400 0.110 0.000 2.160 397 K HA -0.156 4.166 4.320 0.004 0.000 0.206 397 K C 1.681 178.345 176.600 0.107 0.000 1.047 397 K CA 1.912 58.279 56.287 0.132 0.000 0.930 397 K CB -0.278 32.238 32.500 0.027 0.000 0.720 397 K HN 0.847 nan 8.250 nan 0.000 0.450 398 T N -1.083 113.510 114.554 0.066 0.000 3.160 398 T HA -0.008 4.344 4.350 0.004 0.000 0.257 398 T C 1.046 175.777 174.700 0.052 0.000 1.147 398 T CA 0.619 62.748 62.100 0.049 0.000 1.064 398 T CB 0.047 68.935 68.868 0.033 0.000 0.949 398 T HN -0.007 nan 8.240 nan 0.000 0.526 399 D N 1.159 121.599 120.400 0.067 0.000 2.289 399 D HA 0.108 4.750 4.640 0.004 0.000 0.207 399 D C 0.376 176.704 176.300 0.046 0.000 0.966 399 D CA 0.142 54.177 54.000 0.058 0.000 0.868 399 D CB 0.082 40.919 40.800 0.062 0.000 0.943 399 D HN 0.283 nan 8.370 nan 0.000 0.514 400 V N 2.353 122.305 119.914 0.063 0.000 2.439 400 V HA 0.010 4.132 4.120 0.004 0.000 0.271 400 V C 1.634 177.730 176.094 0.005 0.000 1.040 400 V CA -0.151 62.171 62.300 0.037 0.000 1.002 400 V CB 1.349 33.228 31.823 0.094 0.000 1.000 400 V HN 0.031 nan 8.190 nan 0.000 0.477 401 V N 2.211 122.108 119.914 -0.028 0.000 3.649 401 V HA 0.180 4.302 4.120 0.004 0.000 0.275 401 V C 0.952 176.984 176.094 -0.105 0.000 1.281 401 V CA 0.354 62.630 62.300 -0.041 0.000 1.143 401 V CB -0.125 31.679 31.823 -0.031 0.000 0.892 401 V HN 0.775 nan 8.190 nan 0.000 0.441 402 S N 0.636 116.244 115.700 -0.153 0.000 2.554 402 S HA 0.649 5.121 4.470 0.004 0.000 0.278 402 S C -2.554 171.813 174.600 -0.387 0.000 1.242 402 S CA -1.368 56.596 58.200 -0.392 0.000 1.051 402 S CB 0.651 63.729 63.200 -0.203 0.000 0.986 402 S HN 0.295 nan 8.310 nan 0.000 0.502 403 P HA 0.195 nan 4.420 nan 0.000 0.264 403 P C -0.267 176.935 177.300 -0.163 0.000 1.183 403 P CA 0.096 63.002 63.100 -0.323 0.000 0.763 403 P CB 0.089 31.582 31.700 -0.345 0.000 0.807 404 A N 3.171 125.943 122.820 -0.079 0.000 2.531 404 A HA 0.250 4.572 4.320 0.004 0.000 0.236 404 A C -0.089 177.489 177.584 -0.008 0.000 1.062 404 A CA 0.179 52.208 52.037 -0.014 0.000 0.760 404 A CB -0.064 18.935 19.000 -0.002 0.000 0.995 404 A HN 0.394 nan 8.150 nan 0.000 0.501 405 V N 3.007 122.939 119.914 0.031 0.000 2.409 405 V HA 0.189 4.311 4.120 0.004 0.000 0.290 405 V C 0.053 176.167 176.094 0.033 0.000 1.017 405 V CA -0.703 61.617 62.300 0.033 0.000 0.841 405 V CB 1.114 32.973 31.823 0.060 0.000 1.003 405 V HN 1.080 nan 8.190 nan 0.000 0.426 406 c N 5.354 123.955 118.600 0.002 0.000 2.624 406 c HA 0.582 5.155 4.570 0.004 0.000 0.397 406 c C 1.481 175.544 174.090 -0.044 0.000 1.331 406 c CA 1.133 57.447 56.329 -0.025 0.000 1.716 406 c CB -1.266 41.224 42.510 -0.034 0.000 2.452 406 c HN 1.461 nan 8.230 nan 0.000 0.586 407 G N 5.387 114.133 108.800 -0.090 0.000 2.183 407 G HA2 -0.222 3.740 3.960 0.004 0.000 0.168 407 G HA3 -0.222 3.740 3.960 0.004 0.000 0.168 407 G C 0.270 175.084 174.900 -0.144 0.000 1.008 407 G CA 0.282 45.279 45.100 -0.171 0.000 0.677 407 G HN 1.004 nan 8.290 nan 0.000 0.498 408 N N 0.035 118.752 118.700 0.027 0.000 2.276 408 N HA 0.266 5.008 4.740 0.004 0.000 0.212 408 N C 0.815 176.551 175.510 0.377 0.000 1.127 408 N CA -0.319 52.909 53.050 0.296 0.000 0.834 408 N CB -0.485 38.224 38.487 0.370 0.000 1.014 408 N HN 0.697 nan 8.380 nan 0.000 0.491 409 Y N -1.953 118.327 120.300 -0.034 0.000 4.409 409 Y HA -0.254 4.298 4.550 0.003 0.000 0.228 409 Y C -0.674 175.190 175.900 -0.059 0.000 1.108 409 Y CA 0.630 58.662 58.100 -0.113 0.000 1.955 409 Y CB -2.623 35.651 38.460 -0.309 0.000 1.615 409 Y HN 0.319 nan 8.280 nan 0.000 0.665 410 F N -0.464 119.429 119.950 -0.095 0.000 2.562 410 F HA 0.650 5.179 4.527 0.003 0.000 0.319 410 F C -0.444 175.310 175.800 -0.077 0.000 1.154 410 F CA -1.673 56.216 58.000 -0.186 0.000 0.931 410 F CB 1.072 39.740 39.000 -0.554 0.000 1.198 410 F HN -0.283 nan 8.300 nan 0.000 0.444 411 V N 5.926 125.450 119.914 -0.650 0.000 2.397 411 V HA 0.157 4.280 4.120 0.004 0.000 0.262 411 V C -0.102 175.789 176.094 -0.338 0.000 1.047 411 V CA 0.039 62.102 62.300 -0.396 0.000 1.003 411 V CB 0.016 31.639 31.823 -0.335 0.000 1.037 411 V HN 0.714 nan 8.190 nan 0.000 0.480 412 E N 2.918 123.079 120.200 -0.065 0.000 2.243 412 E HA 0.517 4.869 4.350 0.004 0.000 0.260 412 E C -0.641 175.964 176.600 0.007 0.000 0.985 412 E CA -1.100 55.334 56.400 0.057 0.000 0.858 412 E CB 1.788 31.580 29.700 0.152 0.000 1.210 412 E HN 0.391 nan 8.360 nan 0.000 0.411 413 V N 1.868 121.797 119.914 0.025 0.000 2.625 413 V HA 0.083 4.205 4.120 0.004 0.000 0.305 413 V C 1.357 177.448 176.094 -0.005 0.000 1.055 413 V CA 1.982 64.285 62.300 0.005 0.000 1.209 413 V CB -0.178 31.651 31.823 0.010 0.000 0.877 413 V HN 1.060 nan 8.190 nan 0.000 0.489 414 G N 3.552 112.344 108.800 -0.013 0.000 2.176 414 G HA2 -0.170 3.792 3.960 0.004 0.000 0.232 414 G HA3 -0.170 3.792 3.960 0.004 0.000 0.232 414 G C -0.054 174.832 174.900 -0.022 0.000 0.986 414 G CA 0.164 45.255 45.100 -0.015 0.000 0.643 414 G HN 0.682 nan 8.290 nan 0.000 0.522 415 E N -0.505 119.677 120.200 -0.030 0.000 2.299 415 E HA 0.603 4.955 4.350 0.004 0.000 0.265 415 E C 0.237 176.806 176.600 -0.052 0.000 0.911 415 E CA -0.689 55.686 56.400 -0.042 0.000 0.789 415 E CB 1.501 31.171 29.700 -0.050 0.000 1.246 415 E HN 0.327 nan 8.360 nan 0.000 0.427 416 E N -0.195 119.972 120.200 -0.055 0.000 2.485 416 E HA 0.144 4.496 4.350 0.004 0.000 0.213 416 E C 0.064 176.624 176.600 -0.067 0.000 0.923 416 E CA 0.143 56.512 56.400 -0.052 0.000 1.054 416 E CB 0.746 30.423 29.700 -0.038 0.000 1.077 416 E HN 0.564 nan 8.360 nan 0.000 0.509 417 c N -0.853 117.700 118.600 -0.078 0.000 3.292 417 c HA 0.672 5.244 4.570 0.004 0.000 0.338 417 c C -2.015 172.014 174.090 -0.102 0.000 1.323 417 c CA -1.214 55.061 56.329 -0.089 0.000 1.232 417 c CB 2.021 44.489 42.510 -0.071 0.000 1.517 417 c HN 0.074 nan 8.230 nan 0.000 0.470 418 D N 0.199 120.527 120.400 -0.119 0.000 2.738 418 D HA 0.409 5.051 4.640 0.004 0.000 0.218 418 D C -0.061 176.118 176.300 -0.202 0.000 1.345 418 D CA -0.031 53.875 54.000 -0.157 0.000 0.943 418 D CB 1.590 42.307 40.800 -0.139 0.000 1.514 418 D HN 1.240 nan 8.370 nan 0.000 0.585 419 c N 2.472 120.914 118.600 -0.262 0.000 2.976 419 c HA 0.853 5.425 4.570 0.004 0.000 0.274 419 c C 1.139 174.889 174.090 -0.567 0.000 1.487 419 c CA 0.253 56.416 56.329 -0.277 0.000 1.789 419 c CB -0.798 41.636 42.510 -0.126 0.000 2.771 419 c HN 0.844 nan 8.230 nan 0.000 0.551 420 G N 2.062 110.278 108.800 -0.974 0.000 2.568 420 G HA2 0.058 4.021 3.960 0.004 0.000 0.222 420 G HA3 0.058 4.021 3.960 0.004 0.000 0.222 420 G C -0.126 174.542 174.900 -0.387 0.000 1.321 420 G CA -0.080 44.357 45.100 -1.104 0.000 0.893 420 G HN 1.708 nan 8.290 nan 0.000 0.569 421 S N 0.603 116.191 115.700 -0.186 0.000 2.579 421 S HA 0.500 4.972 4.470 0.004 0.000 0.275 421 S C -0.880 173.679 174.600 -0.068 0.000 1.345 421 S CA 0.097 58.249 58.200 -0.080 0.000 1.031 421 S CB 1.630 64.824 63.200 -0.011 0.000 0.892 421 S HN 0.514 nan 8.310 nan 0.000 0.529 422 P HA -0.101 nan 4.420 nan 0.000 0.214 422 P C 1.106 178.392 177.300 -0.023 0.000 1.163 422 P CA 1.315 64.392 63.100 -0.039 0.000 0.889 422 P CB 0.010 31.692 31.700 -0.029 0.000 0.790 423 R N -0.883 119.611 120.500 -0.011 0.000 2.357 423 R HA 0.019 4.361 4.340 0.004 0.000 0.202 423 R C 1.224 177.529 176.300 0.009 0.000 1.047 423 R CA 1.553 57.653 56.100 -0.000 0.000 1.034 423 R CB -0.795 29.508 30.300 0.005 0.000 0.875 423 R HN 0.379 nan 8.270 nan 0.000 0.473 424 T N -5.121 109.439 114.554 0.009 0.000 3.080 424 T HA 0.051 4.403 4.350 0.004 0.000 0.280 424 T C 0.610 175.327 174.700 0.027 0.000 0.926 424 T CA -0.488 61.630 62.100 0.031 0.000 0.883 424 T CB -0.198 68.710 68.868 0.067 0.000 1.194 424 T HN 0.187 nan 8.240 nan 0.000 0.541 425 c N 4.573 123.168 118.600 -0.009 0.000 2.648 425 c HA 0.511 5.083 4.570 0.004 0.000 0.415 425 c C 1.919 176.004 174.090 -0.008 0.000 1.366 425 c CA -0.332 55.982 56.329 -0.026 0.000 1.756 425 c CB -0.484 41.988 42.510 -0.063 0.000 2.549 425 c HN 0.737 nan 8.230 nan 0.000 0.597 426 R N 2.999 123.502 120.500 0.005 0.000 2.404 426 R HA 0.228 4.570 4.340 0.004 0.000 0.237 426 R C 0.054 176.353 176.300 -0.003 0.000 0.907 426 R CA -0.445 55.658 56.100 0.005 0.000 1.063 426 R CB -0.216 30.094 30.300 0.017 0.000 1.134 426 R HN 0.667 nan 8.270 nan 0.000 0.529 427 D N 3.782 124.176 120.400 -0.010 0.000 2.358 427 D HA 0.056 4.699 4.640 0.004 0.000 0.258 427 D C -1.301 174.984 176.300 -0.024 0.000 1.223 427 D CA -1.978 52.013 54.000 -0.016 0.000 0.886 427 D CB 1.639 42.425 40.800 -0.023 0.000 1.120 427 D HN 0.061 nan 8.370 nan 0.000 0.482 428 P HA 0.004 nan 4.420 nan 0.000 0.236 428 P C 0.863 178.143 177.300 -0.033 0.000 1.177 428 P CA 0.151 63.236 63.100 -0.025 0.000 0.773 428 P CB 0.155 31.842 31.700 -0.021 0.000 0.878 429 c N -1.139 117.439 118.600 -0.036 0.000 2.626 429 c HA 0.266 4.838 4.570 0.004 0.000 0.266 429 c C 1.454 175.514 174.090 -0.048 0.000 1.317 429 c CA -0.419 55.883 56.329 -0.045 0.000 1.716 429 c CB -1.719 40.763 42.510 -0.047 0.000 1.819 429 c HN 0.285 nan 8.230 nan 0.000 0.578 430 c N 1.625 120.197 118.600 -0.047 0.000 2.507 430 c HA 0.511 5.083 4.570 0.004 0.000 0.319 430 c C -0.736 173.323 174.090 -0.052 0.000 1.208 430 c CA -0.422 55.875 56.329 -0.053 0.000 1.619 430 c CB 0.732 43.205 42.510 -0.062 0.000 2.230 430 c HN 0.486 nan 8.230 nan 0.000 0.492 431 D N 3.201 123.570 120.400 -0.052 0.000 2.468 431 D HA 0.299 4.941 4.640 0.004 0.000 0.218 431 D C 1.017 177.283 176.300 -0.057 0.000 1.155 431 D CA 0.121 54.093 54.000 -0.047 0.000 0.924 431 D CB 1.156 41.931 40.800 -0.041 0.000 1.029 431 D HN 0.737 nan 8.370 nan 0.000 0.515 432 A N 2.922 125.704 122.820 -0.064 0.000 2.298 432 A HA -0.151 4.172 4.320 0.004 0.000 0.215 432 A C 1.805 179.347 177.584 -0.071 0.000 1.193 432 A CA 1.428 53.416 52.037 -0.082 0.000 0.697 432 A CB -0.169 18.780 19.000 -0.085 0.000 0.774 432 A HN 0.529 nan 8.150 nan 0.000 0.492 433 T N -1.630 112.892 114.554 -0.053 0.000 3.023 433 T HA 0.037 4.389 4.350 0.004 0.000 0.249 433 T C 1.731 176.408 174.700 -0.038 0.000 1.050 433 T CA 1.366 63.441 62.100 -0.042 0.000 1.088 433 T CB 0.153 69.002 68.868 -0.031 0.000 0.946 433 T HN 0.748 nan 8.240 nan 0.000 0.480 434 T N -1.827 112.703 114.554 -0.041 0.000 3.040 434 T HA 0.164 4.516 4.350 0.004 0.000 0.266 434 T C 1.029 175.704 174.700 -0.042 0.000 1.005 434 T CA -0.127 61.952 62.100 -0.036 0.000 0.906 434 T CB -0.807 68.043 68.868 -0.031 0.000 1.082 434 T HN 0.240 nan 8.240 nan 0.000 0.531 435 c N 2.528 121.095 118.600 -0.054 0.000 4.235 435 c HA -0.093 4.479 4.570 0.004 0.000 0.301 435 c C 0.141 174.199 174.090 -0.053 0.000 1.409 435 c CA 0.455 56.747 56.329 -0.062 0.000 2.024 435 c CB -2.161 40.312 42.510 -0.061 0.000 1.286 435 c HN 0.535 nan 8.230 nan 0.000 0.746 436 K N -0.231 120.141 120.400 -0.048 0.000 2.318 436 K HA 0.651 4.973 4.320 0.004 0.000 0.249 436 K C 0.045 176.618 176.600 -0.046 0.000 0.942 436 K CA -0.637 55.624 56.287 -0.042 0.000 0.808 436 K CB 1.328 33.807 32.500 -0.035 0.000 1.189 436 K HN 0.304 nan 8.250 nan 0.000 0.428 437 L N 2.516 123.713 121.223 -0.045 0.000 2.485 437 L HA 0.108 4.450 4.340 0.004 0.000 0.275 437 L C 1.033 177.873 176.870 -0.050 0.000 1.207 437 L CA 0.153 54.963 54.840 -0.050 0.000 0.855 437 L CB 0.154 42.181 42.059 -0.053 0.000 1.114 437 L HN 0.287 nan 8.230 nan 0.000 0.485 438 R N 2.323 122.792 120.500 -0.052 0.000 2.590 438 R HA 0.030 4.372 4.340 0.004 0.000 0.274 438 R C 0.075 176.343 176.300 -0.053 0.000 1.061 438 R CA -0.292 55.779 56.100 -0.048 0.000 1.081 438 R CB 0.407 30.680 30.300 -0.046 0.000 0.984 438 R HN 0.543 nan 8.270 nan 0.000 0.448 439 Q N 1.179 120.952 119.800 -0.045 0.000 2.308 439 Q HA -0.101 4.242 4.340 0.004 0.000 0.313 439 Q C 0.578 176.546 176.000 -0.054 0.000 1.075 439 Q CA 1.406 57.181 55.803 -0.046 0.000 0.995 439 Q CB 0.233 28.950 28.738 -0.036 0.000 1.107 439 Q HN 0.909 nan 8.270 nan 0.000 0.380 440 G N 1.995 110.756 108.800 -0.065 0.000 2.175 440 G HA2 -0.238 3.724 3.960 0.004 0.000 0.244 440 G HA3 -0.238 3.724 3.960 0.004 0.000 0.244 440 G C -0.118 174.720 174.900 -0.103 0.000 0.982 440 G CA -0.054 45.001 45.100 -0.075 0.000 0.641 440 G HN 1.015 nan 8.290 nan 0.000 0.527 441 A N -0.249 122.504 122.820 -0.112 0.000 2.317 441 A HA 0.799 5.121 4.320 0.004 0.000 0.327 441 A C 0.808 178.268 177.584 -0.207 0.000 1.178 441 A CA 0.237 52.187 52.037 -0.145 0.000 0.817 441 A CB 0.950 19.888 19.000 -0.105 0.000 1.189 441 A HN 0.305 nan 8.150 nan 0.000 0.489 442 Q N 0.137 119.725 119.800 -0.354 0.000 2.391 442 Q HA 0.148 4.490 4.340 0.004 0.000 0.211 442 Q C 0.260 176.027 176.000 -0.389 0.000 0.908 442 Q CA 0.922 56.367 55.803 -0.598 0.000 0.920 442 Q CB 0.285 28.172 28.738 -1.418 0.000 1.056 442 Q HN 0.959 nan 8.270 nan 0.000 0.523 443 c N -4.592 113.876 118.600 -0.220 0.000 3.321 443 c HA 0.860 5.432 4.570 0.004 0.000 0.329 443 c C 0.347 174.419 174.090 -0.031 0.000 1.394 443 c CA -0.502 55.816 56.329 -0.019 0.000 1.291 443 c CB 1.143 43.746 42.510 0.156 0.000 1.606 443 c HN 0.117 nan 8.230 nan 0.000 0.463 444 A N -0.216 122.601 122.820 -0.005 0.000 2.226 444 A HA 0.624 4.946 4.320 0.004 0.000 0.207 444 A C 0.303 177.885 177.584 -0.003 0.000 1.293 444 A CA 0.350 52.377 52.037 -0.018 0.000 0.968 444 A CB 0.148 19.129 19.000 -0.032 0.000 1.044 444 A HN 0.911 nan 8.150 nan 0.000 0.493 445 E N -1.943 118.263 120.200 0.010 0.000 2.430 445 E HA 0.541 4.893 4.350 0.004 0.000 0.279 445 E C -0.613 176.004 176.600 0.028 0.000 1.003 445 E CA -0.445 55.964 56.400 0.014 0.000 0.801 445 E CB 2.305 32.005 29.700 0.001 0.000 1.313 445 E HN 0.816 nan 8.360 nan 0.000 0.459 446 G N 0.277 109.092 108.800 0.025 0.000 2.348 446 G HA2 -0.056 3.906 3.960 0.004 0.000 0.606 446 G HA3 -0.056 3.906 3.960 0.004 0.000 0.606 446 G C 0.005 174.919 174.900 0.023 0.000 1.466 446 G CA -0.900 44.214 45.100 0.023 0.000 0.950 446 G HN 0.445 nan 8.290 nan 0.000 0.657 447 L N -0.481 120.749 121.223 0.012 0.000 2.191 447 L HA -0.027 4.315 4.340 0.004 0.000 0.212 447 L C 2.084 178.961 176.870 0.011 0.000 1.103 447 L CA 1.317 56.163 54.840 0.009 0.000 0.769 447 L CB -0.085 41.973 42.059 -0.001 0.000 0.908 447 L HN 0.574 nan 8.230 nan 0.000 0.438 448 c N -0.972 117.635 118.600 0.012 0.000 2.563 448 c HA 0.282 4.855 4.570 0.004 0.000 0.307 448 c C 0.719 174.858 174.090 0.082 0.000 1.371 448 c CA -1.079 55.262 56.329 0.021 0.000 1.772 448 c CB -1.005 41.490 42.510 -0.025 0.000 2.283 448 c HN 0.524 nan 8.230 nan 0.000 0.570 449 c N 1.247 119.897 118.600 0.083 0.000 2.498 449 c HA 0.719 5.291 4.570 0.004 0.000 0.316 449 c C -1.369 172.757 174.090 0.060 0.000 1.209 449 c CA -0.164 56.233 56.329 0.113 0.000 1.518 449 c CB 0.854 43.426 42.510 0.105 0.000 2.147 449 c HN 0.637 nan 8.230 nan 0.000 0.483 450 D N 2.830 123.258 120.400 0.047 0.000 2.890 450 D HA 0.349 4.991 4.640 0.004 0.000 0.233 450 D C -0.676 175.625 176.300 0.001 0.000 1.306 450 D CA 0.101 54.114 54.000 0.022 0.000 0.929 450 D CB 1.124 41.938 40.800 0.024 0.000 1.512 450 D HN 0.731 nan 8.370 nan 0.000 0.568 451 Q N 2.767 122.564 119.800 -0.006 0.000 2.452 451 Q HA -0.248 4.094 4.340 0.004 0.000 0.318 451 Q C 0.125 176.102 176.000 -0.037 0.000 1.386 451 Q CA 0.702 56.494 55.803 -0.018 0.000 0.872 451 Q CB -2.076 26.652 28.738 -0.016 0.000 1.151 451 Q HN 0.854 nan 8.270 nan 0.000 0.417 452 c N -2.089 116.486 118.600 -0.043 0.000 4.400 452 c HA -0.227 4.345 4.570 0.004 0.000 0.275 452 c C 0.488 174.496 174.090 -0.137 0.000 1.391 452 c CA 1.068 57.351 56.329 -0.077 0.000 1.816 452 c CB -1.695 40.770 42.510 -0.076 0.000 1.404 452 c HN 0.557 nan 8.230 nan 0.000 0.754 453 R N -0.874 119.558 120.500 -0.113 0.000 2.795 453 R HA 0.625 4.967 4.340 0.004 0.000 0.275 453 R C -0.328 175.945 176.300 -0.045 0.000 0.981 453 R CA -0.828 55.162 56.100 -0.182 0.000 0.917 453 R CB 0.594 30.828 30.300 -0.111 0.000 1.202 453 R HN 0.373 nan 8.270 nan 0.000 0.469 454 F N 1.862 121.803 119.950 -0.016 0.000 2.572 454 F HA 0.078 4.607 4.527 0.004 0.000 0.370 454 F C 1.548 177.339 175.800 -0.015 0.000 1.103 454 F CA 0.113 58.103 58.000 -0.017 0.000 1.286 454 F CB 0.539 39.528 39.000 -0.017 0.000 1.105 454 F HN 0.085 nan 8.300 nan 0.000 0.583 455 K N 1.787 122.297 120.400 0.183 0.000 2.276 455 K HA 0.170 4.492 4.320 0.004 0.000 0.259 455 K C 0.536 177.182 176.600 0.077 0.000 1.001 455 K CA -0.278 56.063 56.287 0.090 0.000 0.927 455 K CB 0.521 33.052 32.500 0.052 0.000 0.969 455 K HN 0.802 nan 8.250 nan 0.000 0.490 456 G N 0.522 109.351 108.800 0.048 0.000 2.491 456 G HA2 0.275 4.237 3.960 0.004 0.000 0.238 456 G HA3 0.275 4.237 3.960 0.004 0.000 0.238 456 G C -0.175 174.735 174.900 0.018 0.000 1.277 456 G CA -0.372 44.749 45.100 0.035 0.000 0.851 456 G HN 0.695 nan 8.290 nan 0.000 0.573 457 A N 0.507 123.333 122.820 0.011 0.000 2.507 457 A HA 0.512 4.834 4.320 0.004 0.000 0.235 457 A C 1.882 179.461 177.584 -0.008 0.000 1.070 457 A CA 1.255 53.288 52.037 -0.007 0.000 0.768 457 A CB -0.348 18.647 19.000 -0.008 0.000 1.011 457 A HN 2.627 nan 8.150 nan 0.000 0.502 458 G N 0.595 109.385 108.800 -0.017 0.000 2.228 458 G HA2 -0.267 3.695 3.960 0.004 0.000 0.270 458 G HA3 -0.267 3.695 3.960 0.004 0.000 0.270 458 G C 0.559 175.451 174.900 -0.012 0.000 0.976 458 G CA 1.000 46.090 45.100 -0.016 0.000 0.636 458 G HN 1.371 nan 8.290 nan 0.000 0.542 459 T N 1.188 115.737 114.554 -0.008 0.000 2.853 459 T HA 0.385 4.737 4.350 0.004 0.000 0.298 459 T C 0.430 175.125 174.700 -0.010 0.000 0.978 459 T CA 0.365 62.463 62.100 -0.004 0.000 1.152 459 T CB 1.546 70.416 68.868 0.003 0.000 0.914 459 T HN 0.494 nan 8.240 nan 0.000 0.539 460 E N 1.307 121.502 120.200 -0.008 0.000 2.376 460 E HA 0.085 4.437 4.350 0.004 0.000 0.266 460 E C 0.658 177.252 176.600 -0.009 0.000 1.009 460 E CA -0.556 55.837 56.400 -0.011 0.000 0.902 460 E CB 0.231 29.927 29.700 -0.007 0.000 0.972 460 E HN 0.899 nan 8.360 nan 0.000 0.439 461 c N 3.564 122.155 118.600 -0.015 0.000 3.545 461 c HA 0.469 5.041 4.570 0.004 0.000 0.368 461 c C 0.709 174.792 174.090 -0.011 0.000 1.400 461 c CA -0.795 55.526 56.329 -0.012 0.000 1.848 461 c CB -0.338 42.161 42.510 -0.019 0.000 2.576 461 c HN 0.666 nan 8.230 nan 0.000 0.683 462 R N 1.174 121.665 120.500 -0.015 0.000 2.585 462 R HA 0.566 4.908 4.340 0.004 0.000 0.288 462 R C -0.536 175.761 176.300 -0.005 0.000 1.194 462 R CA 0.076 56.171 56.100 -0.009 0.000 1.006 462 R CB 1.324 31.613 30.300 -0.017 0.000 1.229 462 R HN 0.395 nan 8.270 nan 0.000 0.412 463 A N 2.764 125.588 122.820 0.006 0.000 2.346 463 A HA 0.599 4.921 4.320 0.004 0.000 0.252 463 A C 0.098 177.695 177.584 0.022 0.000 1.089 463 A CA 0.057 52.101 52.037 0.011 0.000 0.797 463 A CB 0.494 19.503 19.000 0.015 0.000 1.047 463 A HN 0.820 nan 8.150 nan 0.000 0.494 464 A N 0.426 123.263 122.820 0.028 0.000 2.450 464 A HA 0.415 4.737 4.320 0.004 0.000 0.255 464 A C 1.124 178.739 177.584 0.052 0.000 1.096 464 A CA 0.202 52.268 52.037 0.048 0.000 0.778 464 A CB 0.056 19.086 19.000 0.049 0.000 1.031 464 A HN 0.915 nan 8.150 nan 0.000 0.494 465 K N 0.985 121.427 120.400 0.069 0.000 2.361 465 K HA 0.122 4.444 4.320 0.004 0.000 0.196 465 K C -0.381 176.248 176.600 0.049 0.000 1.039 465 K CA 1.047 57.369 56.287 0.057 0.000 1.001 465 K CB -0.070 32.469 32.500 0.066 0.000 0.795 465 K HN 0.808 nan 8.250 nan 0.000 0.495 466 D N -1.138 119.296 120.400 0.057 0.000 2.738 466 D HA -0.095 4.547 4.640 0.004 0.000 0.308 466 D C 0.294 176.624 176.300 0.051 0.000 1.311 466 D CA -0.708 53.318 54.000 0.043 0.000 0.799 466 D CB 0.589 41.407 40.800 0.030 0.000 1.332 466 D HN 0.081 nan 8.370 nan 0.000 0.441 467 E N -0.746 119.478 120.200 0.041 0.000 2.171 467 E HA -0.231 4.121 4.350 0.004 0.000 0.197 467 E C 0.685 177.321 176.600 0.059 0.000 0.997 467 E CA 1.397 57.824 56.400 0.046 0.000 0.810 467 E CB -0.464 29.259 29.700 0.039 0.000 0.738 467 E HN 0.388 nan 8.360 nan 0.000 0.467 468 c N 1.174 119.808 118.600 0.056 0.000 2.626 468 c HA 0.191 4.763 4.570 0.004 0.000 0.266 468 c C 0.482 174.655 174.090 0.139 0.000 1.317 468 c CA -0.514 55.854 56.329 0.064 0.000 1.716 468 c CB -1.273 41.238 42.510 0.002 0.000 1.819 468 c HN 0.373 nan 8.230 nan 0.000 0.578 469 D N 0.230 120.728 120.400 0.164 0.000 2.228 469 D HA 0.491 5.133 4.640 0.004 0.000 0.247 469 D C -0.579 175.810 176.300 0.148 0.000 0.995 469 D CA -0.203 53.958 54.000 0.268 0.000 0.903 469 D CB 0.900 41.842 40.800 0.236 0.000 1.205 469 D HN 0.135 nan 8.370 nan 0.000 0.459 470 M N 2.447 122.108 119.600 0.100 0.000 2.393 470 M HA 0.636 5.118 4.480 0.004 0.000 0.316 470 M C -0.876 175.417 176.300 -0.011 0.000 1.087 470 M CA -0.727 54.590 55.300 0.030 0.000 0.937 470 M CB 1.730 34.335 32.600 0.007 0.000 1.668 470 M HN 0.493 nan 8.290 nan 0.000 0.438 471 A N 3.294 126.111 122.820 -0.005 0.000 2.507 471 A HA 0.246 4.568 4.320 0.004 0.000 0.235 471 A C -0.773 176.785 177.584 -0.043 0.000 1.070 471 A CA 0.216 52.242 52.037 -0.017 0.000 0.768 471 A CB 0.026 19.021 19.000 -0.008 0.000 1.011 471 A HN 0.852 nan 8.150 nan 0.000 0.502 472 D N 0.184 120.553 120.400 -0.051 0.000 2.350 472 D HA 0.493 5.136 4.640 0.004 0.000 0.245 472 D C -0.409 175.861 176.300 -0.050 0.000 1.036 472 D CA -0.087 53.872 54.000 -0.069 0.000 0.848 472 D CB 1.902 42.645 40.800 -0.095 0.000 1.307 472 D HN 0.539 nan 8.370 nan 0.000 0.469 473 V N -1.611 118.272 119.914 -0.051 0.000 2.769 473 V HA 0.543 4.665 4.120 0.004 0.000 0.312 473 V C 0.372 176.437 176.094 -0.049 0.000 1.061 473 V CA -0.872 61.404 62.300 -0.040 0.000 0.931 473 V CB 1.163 32.966 31.823 -0.033 0.000 1.010 473 V HN 0.667 nan 8.190 nan 0.000 0.433 474 c N 2.865 121.440 118.600 -0.041 0.000 2.705 474 c HA 0.436 5.008 4.570 0.004 0.000 0.348 474 c C 2.187 176.240 174.090 -0.061 0.000 1.386 474 c CA 0.574 56.871 56.329 -0.053 0.000 2.361 474 c CB 0.621 43.110 42.510 -0.036 0.000 2.486 474 c HN 1.165 nan 8.230 nan 0.000 0.728 475 T N -2.811 111.691 114.554 -0.088 0.000 2.985 475 T HA 0.354 4.706 4.350 0.004 0.000 0.254 475 T C 1.332 175.985 174.700 -0.078 0.000 1.021 475 T CA 1.003 63.051 62.100 -0.087 0.000 0.957 475 T CB 0.156 68.956 68.868 -0.114 0.000 1.047 475 T HN 1.741 nan 8.240 nan 0.000 0.511 476 G N 2.238 110.992 108.800 -0.076 0.000 2.245 476 G HA2 -0.280 3.682 3.960 0.004 0.000 0.264 476 G HA3 -0.280 3.682 3.960 0.004 0.000 0.264 476 G C 1.078 175.952 174.900 -0.043 0.000 0.985 476 G CA 0.311 45.406 45.100 -0.008 0.000 0.625 476 G HN 0.497 nan 8.290 nan 0.000 0.536 477 R N -0.001 120.355 120.500 -0.240 0.000 2.437 477 R HA 0.482 4.824 4.340 0.004 0.000 0.257 477 R C 0.641 176.364 176.300 -0.962 0.000 0.927 477 R CA 0.803 56.681 56.100 -0.369 0.000 1.078 477 R CB 0.633 30.835 30.300 -0.164 0.000 1.161 477 R HN 0.476 nan 8.270 nan 0.000 0.529 478 S N -1.396 113.661 115.700 -1.073 0.000 2.579 478 S HA 0.621 5.093 4.470 0.004 0.000 0.272 478 S C -0.162 174.037 174.600 -0.668 0.000 1.141 478 S CA -0.071 57.542 58.200 -0.977 0.000 0.843 478 S CB 1.833 64.778 63.200 -0.426 0.000 1.122 478 S HN 0.102 nan 8.310 nan 0.000 0.468 479 A N 1.696 124.333 122.820 -0.305 0.000 2.147 479 A HA 0.345 4.667 4.320 0.004 0.000 0.211 479 A C 0.541 178.101 177.584 -0.039 0.000 1.160 479 A CA 0.227 52.263 52.037 -0.002 0.000 0.781 479 A CB -0.263 18.828 19.000 0.151 0.000 0.842 479 A HN 0.798 nan 8.150 nan 0.000 0.475 480 E N -1.176 118.970 120.200 -0.089 0.000 2.349 480 E HA 0.324 4.676 4.350 0.004 0.000 0.262 480 E C -0.921 175.633 176.600 -0.077 0.000 1.088 480 E CA -0.454 55.904 56.400 -0.070 0.000 0.899 480 E CB 1.264 30.919 29.700 -0.075 0.000 1.044 480 E HN 0.218 nan 8.360 nan 0.000 0.420 481 c N 2.679 121.242 118.600 -0.062 0.000 2.816 481 c HA 0.203 4.775 4.570 0.004 0.000 0.255 481 c C 0.006 174.048 174.090 -0.079 0.000 1.141 481 c CA -0.411 55.878 56.329 -0.066 0.000 1.554 481 c CB -1.218 41.264 42.510 -0.047 0.000 1.778 481 c HN 0.630 nan 8.230 nan 0.000 0.429 482 T N 3.588 118.086 114.554 -0.093 0.000 2.891 482 T HA -0.012 4.340 4.350 0.004 0.000 0.296 482 T C -0.136 174.473 174.700 -0.152 0.000 1.025 482 T CA 1.077 63.110 62.100 -0.111 0.000 1.149 482 T CB 0.121 68.923 68.868 -0.110 0.000 1.007 482 T HN 0.774 nan 8.240 nan 0.000 0.528 483 D N 2.688 122.972 120.400 -0.194 0.000 2.412 483 D HA 0.285 4.928 4.640 0.004 0.000 0.224 483 D C 0.265 176.184 176.300 -0.636 0.000 1.093 483 D CA -0.812 52.995 54.000 -0.322 0.000 0.850 483 D CB 0.477 41.139 40.800 -0.229 0.000 1.046 483 D HN 0.586 nan 8.370 nan 0.000 0.507 484 R N 1.643 121.762 120.500 -0.636 0.000 2.873 484 R HA 0.757 5.099 4.340 0.004 0.000 0.264 484 R C -0.782 174.994 176.300 -0.874 0.000 1.026 484 R CA -0.724 54.909 56.100 -0.778 0.000 1.002 484 R CB 0.945 31.050 30.300 -0.325 0.000 1.174 484 R HN 0.167 nan 8.270 nan 0.000 0.488 485 F N -0.899 119.037 119.950 -0.024 0.000 2.790 485 F HA 0.401 4.930 4.527 0.003 0.000 0.386 485 F C 0.480 176.273 175.800 -0.010 0.000 1.206 485 F CA -1.457 56.533 58.000 -0.016 0.000 1.109 485 F CB 0.441 39.429 39.000 -0.020 0.000 1.469 485 F HN 0.221 nan 8.300 nan 0.000 0.513 486 Q N 0.656 120.594 119.800 0.231 0.000 2.471 486 Q HA 0.276 4.618 4.340 0.004 0.000 0.223 486 Q C -0.353 175.714 176.000 0.112 0.000 1.045 486 Q CA -0.217 55.660 55.803 0.123 0.000 0.956 486 Q CB 0.552 29.351 28.738 0.102 0.000 1.249 486 Q HN 0.456 nan 8.270 nan 0.000 0.549 487 R N 0.973 121.516 120.500 0.071 0.000 2.543 487 R HA 0.087 4.429 4.340 0.004 0.000 0.277 487 R C -0.060 176.280 176.300 0.067 0.000 1.074 487 R CA -0.010 56.126 56.100 0.059 0.000 1.076 487 R CB 0.220 30.541 30.300 0.034 0.000 0.993 487 R HN 0.525 nan 8.270 nan 0.000 0.459 488 N N 1.252 119.995 118.700 0.072 0.000 2.418 488 N HA 0.005 4.748 4.740 0.004 0.000 0.277 488 N C 0.643 176.204 175.510 0.085 0.000 1.317 488 N CA 0.412 53.525 53.050 0.104 0.000 0.922 488 N CB 0.547 39.113 38.487 0.131 0.000 1.194 488 N HN 0.864 nan 8.380 nan 0.000 0.485 489 G N 1.777 110.631 108.800 0.091 0.000 3.033 489 G HA2 -0.210 3.752 3.960 0.004 0.000 0.208 489 G HA3 -0.210 3.752 3.960 0.004 0.000 0.208 489 G C -0.005 174.860 174.900 -0.058 0.000 1.006 489 G CA -0.620 44.474 45.100 -0.010 0.000 0.808 489 G HN 0.562 nan 8.290 nan 0.000 0.499 490 Q N 2.563 122.390 119.800 0.044 0.000 2.337 490 Q HA 0.387 4.729 4.340 0.004 0.000 0.270 490 Q C -1.929 174.192 176.000 0.202 0.000 1.002 490 Q CA -1.299 54.544 55.803 0.066 0.000 0.888 490 Q CB 1.076 29.855 28.738 0.068 0.000 1.222 490 Q HN 0.269 nan 8.270 nan 0.000 0.400 491 P HA -0.029 nan 4.420 nan 0.000 0.269 491 P C -0.649 176.758 177.300 0.177 0.000 1.217 491 P CA -0.134 63.176 63.100 0.351 0.000 0.783 491 P CB 0.466 32.314 31.700 0.247 0.000 0.898 492 c N -2.257 116.405 118.600 0.104 0.000 3.306 492 c HA 0.470 5.042 4.570 0.004 0.000 0.335 492 c C 0.172 174.261 174.090 -0.001 0.000 1.382 492 c CA -0.989 55.367 56.329 0.045 0.000 1.254 492 c CB 0.561 43.097 42.510 0.044 0.000 1.555 492 c HN 0.682 nan 8.230 nan 0.000 0.463 493 K N 1.040 121.440 120.400 -0.001 0.000 3.012 493 K HA -0.237 4.085 4.320 0.004 0.000 0.259 493 K C -0.050 176.540 176.600 -0.016 0.000 0.989 493 K CA 1.241 57.520 56.287 -0.013 0.000 0.728 493 K CB -1.639 30.844 32.500 -0.029 0.000 1.260 493 K HN 0.964 nan 8.250 nan 0.000 0.480 494 N N -0.267 118.432 118.700 -0.002 0.000 2.753 494 N HA -0.175 4.568 4.740 0.004 0.000 0.252 494 N C -0.677 174.827 175.510 -0.010 0.000 1.071 494 N CA 1.112 54.162 53.050 0.001 0.000 0.690 494 N CB -1.345 37.141 38.487 -0.002 0.000 0.906 494 N HN 0.606 nan 8.380 nan 0.000 0.552 495 N N -2.235 116.463 118.700 -0.005 0.000 2.753 495 N HA -0.229 4.513 4.740 0.004 0.000 0.251 495 N C 0.633 176.068 175.510 -0.126 0.000 1.097 495 N CA 1.125 54.159 53.050 -0.027 0.000 0.786 495 N CB -0.914 37.581 38.487 0.014 0.000 1.137 495 N HN 0.548 nan 8.380 nan 0.000 0.566 496 N N -0.585 118.042 118.700 -0.122 0.000 2.084 496 N HA 0.008 4.750 4.740 0.004 0.000 0.190 496 N C 1.289 176.639 175.510 -0.267 0.000 1.030 496 N CA 1.877 54.840 53.050 -0.144 0.000 0.849 496 N CB -0.058 38.372 38.487 -0.094 0.000 1.012 496 N HN 0.566 nan 8.380 nan 0.000 0.423 497 G N -2.248 106.342 108.800 -0.351 0.000 2.871 497 G HA2 0.592 4.554 3.960 0.004 0.000 0.282 497 G HA3 0.592 4.554 3.960 0.004 0.000 0.282 497 G C -1.775 172.695 174.900 -0.716 0.000 1.212 497 G CA -0.558 44.199 45.100 -0.571 0.000 0.812 497 G HN 0.114 nan 8.290 nan 0.000 0.547 498 Y N -0.920 119.384 120.300 0.007 0.000 2.457 498 Y HA 0.389 4.941 4.550 0.003 0.000 0.343 498 Y C 0.308 176.237 175.900 0.047 0.000 0.994 498 Y CA -1.169 56.945 58.100 0.023 0.000 1.031 498 Y CB 2.008 40.482 38.460 0.022 0.000 1.246 498 Y HN 0.539 nan 8.280 nan 0.000 0.449 499 c N 3.023 121.751 118.600 0.214 0.000 2.419 499 c HA -0.114 4.458 4.570 0.004 0.000 0.398 499 c C -0.086 174.119 174.090 0.191 0.000 1.498 499 c CA 0.307 56.721 56.329 0.142 0.000 1.494 499 c CB -2.023 40.548 42.510 0.102 0.000 2.485 499 c HN 0.603 nan 8.230 nan 0.000 0.608 500 Y N 4.633 124.923 120.300 -0.016 0.000 2.326 500 Y HA 0.298 4.850 4.550 0.003 0.000 0.331 500 Y C 0.486 176.327 175.900 -0.098 0.000 0.962 500 Y CA -0.818 57.267 58.100 -0.026 0.000 1.167 500 Y CB 0.351 38.800 38.460 -0.020 0.000 1.148 500 Y HN 0.814 nan 8.280 nan 0.000 0.463 501 N N 4.550 122.988 118.700 -0.436 0.000 2.698 501 N HA -0.235 4.507 4.740 0.004 0.000 0.258 501 N C 1.069 176.130 175.510 -0.749 0.000 0.978 501 N CA 1.696 54.477 53.050 -0.449 0.000 0.777 501 N CB -1.074 37.076 38.487 -0.563 0.000 0.907 501 N HN 1.301 nan 8.380 nan 0.000 0.543 502 G N -1.670 106.674 108.800 -0.760 0.000 2.199 502 G HA2 -0.338 3.624 3.960 0.004 0.000 0.254 502 G HA3 -0.338 3.624 3.960 0.004 0.000 0.254 502 G C 0.061 174.660 174.900 -0.500 0.000 0.982 502 G CA 0.902 45.310 45.100 -1.154 0.000 0.632 502 G HN 0.561 nan 8.290 nan 0.000 0.529 503 K N -1.037 119.192 120.400 -0.285 0.000 2.350 503 K HA 0.649 4.971 4.320 0.004 0.000 0.241 503 K C -0.799 175.788 176.600 -0.023 0.000 0.994 503 K CA -0.498 55.715 56.287 -0.123 0.000 0.839 503 K CB 2.309 34.755 32.500 -0.089 0.000 1.244 503 K HN 0.189 nan 8.250 nan 0.000 0.443 504 c N 3.890 122.481 118.600 -0.016 0.000 2.439 504 c HA 0.363 4.935 4.570 0.004 0.000 0.298 504 c C -2.411 171.669 174.090 -0.018 0.000 1.094 504 c CA -2.067 54.259 56.329 -0.004 0.000 1.609 504 c CB -0.633 41.870 42.510 -0.012 0.000 1.723 504 c HN 0.462 nan 8.230 nan 0.000 0.423 505 P HA 0.310 nan 4.420 nan 0.000 0.276 505 P C -0.656 176.611 177.300 -0.055 0.000 1.253 505 P CA 0.440 63.523 63.100 -0.029 0.000 0.766 505 P CB 0.600 32.285 31.700 -0.026 0.000 0.845 506 I N 0.090 120.631 120.570 -0.048 0.000 2.647 506 I HA 0.313 4.485 4.170 0.004 0.000 0.295 506 I C 1.389 177.493 176.117 -0.021 0.000 1.078 506 I CA -1.511 59.757 61.300 -0.053 0.000 1.048 506 I CB 2.098 40.063 38.000 -0.058 0.000 1.239 506 I HN 0.089 nan 8.210 nan 0.000 0.421 507 M N 3.197 122.794 119.600 -0.004 0.000 2.089 507 M HA -0.233 4.249 4.480 0.004 0.000 0.257 507 M C 2.379 178.715 176.300 0.060 0.000 1.071 507 M CA 2.844 58.174 55.300 0.050 0.000 1.096 507 M CB -0.493 32.162 32.600 0.091 0.000 1.330 507 M HN 0.963 nan 8.290 nan 0.000 0.403 508 A N 0.659 123.505 122.820 0.043 0.000 1.903 508 A HA -0.263 4.059 4.320 0.004 0.000 0.219 508 A C 1.646 179.247 177.584 0.029 0.000 1.191 508 A CA 2.593 54.656 52.037 0.043 0.000 0.638 508 A CB -1.050 17.963 19.000 0.021 0.000 0.823 508 A HN 0.482 nan 8.150 nan 0.000 0.451 509 D N -0.627 119.777 120.400 0.007 0.000 2.117 509 D HA -0.121 4.521 4.640 0.004 0.000 0.197 509 D C 2.294 178.587 176.300 -0.013 0.000 0.987 509 D CA 1.518 55.513 54.000 -0.007 0.000 0.829 509 D CB -0.373 40.415 40.800 -0.019 0.000 0.961 509 D HN 0.683 nan 8.370 nan 0.000 0.460 510 Q N -0.302 119.492 119.800 -0.009 0.000 2.084 510 Q HA -0.107 4.236 4.340 0.004 0.000 0.202 510 Q C 2.250 178.242 176.000 -0.014 0.000 0.978 510 Q CA 1.008 56.793 55.803 -0.031 0.000 0.844 510 Q CB -0.320 28.406 28.738 -0.020 0.000 0.898 510 Q HN 0.325 nan 8.270 nan 0.000 0.426 511 c N 0.434 119.074 118.600 0.066 0.000 2.422 511 c HA -0.096 4.476 4.570 0.004 0.000 0.279 511 c C 2.475 176.656 174.090 0.152 0.000 1.305 511 c CA 0.497 56.927 56.329 0.169 0.000 1.757 511 c CB -0.744 41.874 42.510 0.180 0.000 1.962 511 c HN 0.463 nan 8.230 nan 0.000 0.499 512 I N 0.757 121.359 120.570 0.055 0.000 2.406 512 I HA -0.085 4.087 4.170 0.004 0.000 0.249 512 I C 2.670 178.771 176.117 -0.027 0.000 1.122 512 I CA 1.219 62.535 61.300 0.026 0.000 1.431 512 I CB -0.450 37.551 38.000 0.002 0.000 1.087 512 I HN 0.223 nan 8.210 nan 0.000 0.424 513 A N 0.708 123.486 122.820 -0.071 0.000 2.015 513 A HA -0.079 4.244 4.320 0.004 0.000 0.219 513 A C 2.210 179.665 177.584 -0.215 0.000 1.163 513 A CA 1.290 53.253 52.037 -0.123 0.000 0.646 513 A CB -0.456 18.466 19.000 -0.129 0.000 0.806 513 A HN 0.395 nan 8.150 nan 0.000 0.448 514 L N -3.075 117.958 121.223 -0.318 0.000 2.298 514 L HA 0.164 4.506 4.340 0.004 0.000 0.209 514 L C 1.398 177.833 176.870 -0.725 0.000 1.084 514 L CA 0.612 55.062 54.840 -0.650 0.000 0.816 514 L CB 0.043 41.515 42.059 -0.979 0.000 0.967 514 L HN 0.414 nan 8.230 nan 0.000 0.460 515 F N -0.664 119.291 119.950 0.009 0.000 2.706 515 F HA 0.460 4.989 4.527 0.004 0.000 0.313 515 F C 1.217 177.012 175.800 -0.008 0.000 1.096 515 F CA 0.148 58.162 58.000 0.024 0.000 1.219 515 F CB 0.664 39.670 39.000 0.010 0.000 1.051 515 F HN 0.034 nan 8.300 nan 0.000 0.568 516 G N 0.780 109.627 108.800 0.077 0.000 2.685 516 G HA2 -0.137 3.825 3.960 0.004 0.000 0.387 516 G HA3 -0.137 3.825 3.960 0.004 0.000 0.387 516 G C -2.998 171.920 174.900 0.030 0.000 1.324 516 G CA -1.520 43.602 45.100 0.037 0.000 0.878 516 G HN -0.103 nan 8.290 nan 0.000 0.527 517 P HA 0.395 nan 4.420 nan 0.000 0.268 517 P C 1.128 178.414 177.300 -0.024 0.000 1.205 517 P CA 2.151 65.244 63.100 -0.012 0.000 0.771 517 P CB 0.834 32.524 31.700 -0.017 0.000 0.858 518 G N 1.511 110.285 108.800 -0.042 0.000 2.284 518 G HA2 -0.218 3.744 3.960 0.004 0.000 0.230 518 G HA3 -0.218 3.744 3.960 0.004 0.000 0.230 518 G C 0.487 175.307 174.900 -0.132 0.000 1.021 518 G CA -0.007 45.044 45.100 -0.081 0.000 0.619 518 G HN 0.847 nan 8.290 nan 0.000 0.510 519 A N 0.395 123.166 122.820 -0.082 0.000 2.531 519 A HA 0.592 4.914 4.320 0.004 0.000 0.236 519 A C 0.596 178.110 177.584 -0.116 0.000 1.062 519 A CA 1.821 53.798 52.037 -0.101 0.000 0.760 519 A CB 0.250 19.302 19.000 0.086 0.000 0.995 519 A HN 0.983 nan 8.150 nan 0.000 0.501 520 T N 1.068 115.502 114.554 -0.200 0.000 2.896 520 T HA 0.470 4.822 4.350 0.004 0.000 0.297 520 T C -0.203 174.568 174.700 0.119 0.000 1.108 520 T CA -0.524 61.531 62.100 -0.075 0.000 1.004 520 T CB 1.471 70.239 68.868 -0.167 0.000 1.159 520 T HN 0.520 nan 8.240 nan 0.000 0.499 521 V N 2.316 122.346 119.914 0.195 0.000 2.811 521 V HA 0.233 4.355 4.120 0.004 0.000 0.302 521 V C 0.785 177.106 176.094 0.379 0.000 1.063 521 V CA -0.201 62.269 62.300 0.283 0.000 1.088 521 V CB 1.236 33.212 31.823 0.254 0.000 0.982 521 V HN 0.988 nan 8.190 nan 0.000 0.485 522 S N 2.840 118.760 115.700 0.367 0.000 2.603 522 S HA 0.221 4.693 4.470 0.004 0.000 0.268 522 S C 0.074 174.821 174.600 0.245 0.000 1.317 522 S CA -0.664 57.675 58.200 0.232 0.000 1.012 522 S CB 0.634 63.876 63.200 0.069 0.000 0.926 522 S HN 0.846 nan 8.310 nan 0.000 0.539 523 Q N 1.368 121.200 119.800 0.054 0.000 2.315 523 Q HA 0.047 4.389 4.340 0.004 0.000 0.289 523 Q C -0.246 175.847 176.000 0.156 0.000 1.044 523 Q CA -0.279 55.559 55.803 0.059 0.000 0.920 523 Q CB 0.248 28.959 28.738 -0.044 0.000 1.214 523 Q HN 0.461 nan 8.270 nan 0.000 0.392 524 D N 2.956 123.432 120.400 0.127 0.000 2.248 524 D HA -0.316 4.326 4.640 0.004 0.000 0.191 524 D C 1.801 178.194 176.300 0.154 0.000 1.013 524 D CA 2.353 56.422 54.000 0.115 0.000 0.883 524 D CB -0.436 40.364 40.800 -0.001 0.000 0.915 524 D HN 0.785 nan 8.370 nan 0.000 0.448 525 A N 0.245 123.108 122.820 0.072 0.000 1.917 525 A HA -0.274 4.048 4.320 0.004 0.000 0.219 525 A C 2.609 180.216 177.584 0.039 0.000 1.182 525 A CA 1.782 53.842 52.037 0.037 0.000 0.633 525 A CB -1.128 17.880 19.000 0.012 0.000 0.819 525 A HN 0.427 nan 8.150 nan 0.000 0.448 526 c N -1.807 116.799 118.600 0.010 0.000 2.398 526 c HA -0.173 4.399 4.570 0.004 0.000 0.276 526 c C 2.298 176.037 174.090 -0.585 0.000 1.222 526 c CA 1.100 57.319 56.329 -0.184 0.000 1.746 526 c CB -1.811 40.514 42.510 -0.308 0.000 2.039 526 c HN 0.648 nan 8.230 nan 0.000 0.470 527 F N 0.683 120.309 119.950 -0.540 0.000 2.529 527 F HA -0.138 4.391 4.527 0.003 0.000 0.297 527 F C 2.460 178.118 175.800 -0.237 0.000 1.114 527 F CA 0.986 58.663 58.000 -0.540 0.000 1.467 527 F CB -0.710 38.187 39.000 -0.172 0.000 1.096 527 F HN 0.353 nan 8.300 nan 0.000 0.586 528 Q N -0.627 119.163 119.800 -0.018 0.000 2.226 528 Q HA -0.171 4.171 4.340 0.004 0.000 0.204 528 Q C 1.982 177.945 176.000 -0.060 0.000 0.975 528 Q CA 1.203 56.979 55.803 -0.046 0.000 0.866 528 Q CB -0.586 28.074 28.738 -0.130 0.000 0.915 528 Q HN 0.427 nan 8.270 nan 0.000 0.440 529 F N 1.260 121.177 119.950 -0.054 0.000 2.583 529 F HA -0.108 4.421 4.527 0.003 0.000 0.297 529 F C 1.777 177.676 175.800 0.165 0.000 1.131 529 F CA 0.530 58.605 58.000 0.125 0.000 1.467 529 F CB -0.204 39.020 39.000 0.373 0.000 1.097 529 F HN 0.131 nan 8.300 nan 0.000 0.586 530 N N 0.180 119.056 118.700 0.293 0.000 2.457 530 N HA -0.045 4.697 4.740 0.004 0.000 0.180 530 N C 1.593 177.188 175.510 0.142 0.000 1.050 530 N CA 0.461 53.660 53.050 0.248 0.000 0.906 530 N CB -0.142 38.506 38.487 0.269 0.000 0.968 530 N HN 0.366 nan 8.380 nan 0.000 0.445 531 R N 0.820 121.368 120.500 0.081 0.000 2.307 531 R HA 0.049 4.391 4.340 0.004 0.000 0.199 531 R C 1.028 177.338 176.300 0.016 0.000 1.000 531 R CA 0.498 56.619 56.100 0.034 0.000 1.023 531 R CB 0.097 30.392 30.300 -0.008 0.000 0.908 531 R HN 0.387 nan 8.270 nan 0.000 0.473 532 E N -0.126 120.084 120.200 0.018 0.000 2.385 532 E HA 0.038 4.390 4.350 0.004 0.000 0.194 532 E C 1.082 177.688 176.600 0.010 0.000 1.013 532 E CA 0.367 56.766 56.400 -0.002 0.000 0.866 532 E CB 0.326 30.018 29.700 -0.012 0.000 0.832 532 E HN 0.443 nan 8.360 nan 0.000 0.500 533 G N 2.730 111.559 108.800 0.048 0.000 2.186 533 G HA2 -0.398 3.564 3.960 0.004 0.000 0.266 533 G HA3 -0.398 3.564 3.960 0.004 0.000 0.266 533 G C 0.319 175.230 174.900 0.018 0.000 0.982 533 G CA 0.877 46.015 45.100 0.065 0.000 0.670 533 G HN 0.487 nan 8.290 nan 0.000 0.533 534 N N -1.137 117.546 118.700 -0.028 0.000 2.240 534 N HA 0.059 4.801 4.740 0.004 0.000 0.245 534 N C 1.373 176.855 175.510 -0.047 0.000 1.311 534 N CA 0.662 53.671 53.050 -0.069 0.000 0.873 534 N CB -0.259 38.140 38.487 -0.146 0.000 1.049 534 N HN 0.153 nan 8.380 nan 0.000 0.466 535 H N -1.104 117.887 119.070 -0.131 0.000 2.387 535 H HA -0.181 4.378 4.556 0.004 0.000 0.299 535 H C 0.890 176.267 175.328 0.082 0.000 1.099 535 H CA 2.237 58.265 56.048 -0.033 0.000 1.315 535 H CB 0.060 29.807 29.762 -0.026 0.000 1.380 535 H HN 0.825 nan 8.280 nan 0.000 0.513 536 Y N -2.274 118.213 120.300 0.313 0.000 2.430 536 Y HA 0.437 4.989 4.550 0.004 0.000 0.254 536 Y C 1.154 177.119 175.900 0.108 0.000 1.088 536 Y CA -0.061 58.172 58.100 0.221 0.000 1.267 536 Y CB -0.190 38.284 38.460 0.024 0.000 1.204 536 Y HN 0.041 nan 8.280 nan 0.000 0.515 537 G N 1.533 110.057 108.800 -0.459 0.000 2.547 537 G HA2 0.499 4.461 3.960 0.004 0.000 0.327 537 G HA3 0.499 4.461 3.960 0.004 0.000 0.327 537 G C -1.368 173.606 174.900 0.124 0.000 1.118 537 G CA -0.357 44.700 45.100 -0.071 0.000 1.022 537 G HN 0.473 nan 8.290 nan 0.000 0.464 538 Y N -1.403 118.943 120.300 0.077 0.000 2.853 538 Y HA 0.591 5.144 4.550 0.004 0.000 0.326 538 Y C 0.202 176.162 175.900 0.100 0.000 1.384 538 Y CA -1.218 56.918 58.100 0.060 0.000 1.077 538 Y CB 0.689 39.160 38.460 0.017 0.000 1.395 538 Y HN 0.133 nan 8.280 nan 0.000 0.451 539 c N 0.093 118.880 118.600 0.311 0.000 2.689 539 c HA 0.488 5.060 4.570 0.004 0.000 0.336 539 c C 0.178 174.417 174.090 0.249 0.000 1.304 539 c CA 0.712 57.156 56.329 0.193 0.000 1.860 539 c CB -0.366 42.229 42.510 0.142 0.000 2.405 539 c HN 0.843 nan 8.230 nan 0.000 0.557 540 R N -0.636 120.096 120.500 0.386 0.000 2.741 540 R HA 0.344 4.686 4.340 0.004 0.000 0.276 540 R C -1.907 174.485 176.300 0.153 0.000 1.028 540 R CA -0.733 55.543 56.100 0.293 0.000 0.865 540 R CB 0.588 30.974 30.300 0.143 0.000 1.268 540 R HN -0.067 nan 8.270 nan 0.000 0.475 541 K N 0.913 121.350 120.400 0.063 0.000 2.293 541 K HA 0.097 4.419 4.320 0.004 0.000 0.267 541 K C -0.030 176.556 176.600 -0.024 0.000 1.010 541 K CA -0.491 55.758 56.287 -0.064 0.000 0.875 541 K CB 1.981 34.434 32.500 -0.079 0.000 1.106 541 K HN 0.574 nan 8.250 nan 0.000 0.450 542 E N 2.822 123.000 120.200 -0.036 0.000 1.994 542 E HA -0.183 4.169 4.350 0.004 0.000 0.197 542 E C 1.103 177.691 176.600 -0.020 0.000 0.982 542 E CA 1.982 58.371 56.400 -0.017 0.000 0.855 542 E CB 0.263 29.951 29.700 -0.020 0.000 0.806 542 E HN 0.532 nan 8.360 nan 0.000 0.495 543 Q N -1.056 118.726 119.800 -0.029 0.000 2.019 543 Q HA 0.169 4.511 4.340 0.004 0.000 0.195 543 Q C 1.198 177.177 176.000 -0.035 0.000 0.981 543 Q CA 1.016 56.804 55.803 -0.025 0.000 0.832 543 Q CB 0.268 28.992 28.738 -0.024 0.000 0.902 543 Q HN 0.249 nan 8.270 nan 0.000 0.461 544 N N -0.768 117.901 118.700 -0.051 0.000 2.036 544 N HA 0.044 4.786 4.740 0.004 0.000 0.228 544 N C -0.364 175.084 175.510 -0.103 0.000 1.368 544 N CA 0.127 53.138 53.050 -0.065 0.000 0.846 544 N CB 1.496 39.955 38.487 -0.047 0.000 1.145 544 N HN 0.084 nan 8.380 nan 0.000 0.502 545 T N 0.625 115.118 114.554 -0.102 0.000 2.754 545 T HA 0.269 4.621 4.350 0.004 0.000 0.286 545 T C -0.185 174.388 174.700 -0.212 0.000 0.997 545 T CA 0.136 62.157 62.100 -0.131 0.000 0.982 545 T CB 0.701 69.516 68.868 -0.088 0.000 1.027 545 T HN -0.094 nan 8.240 nan 0.000 0.529 546 K N 2.755 122.997 120.400 -0.264 0.000 2.414 546 K HA 0.405 4.728 4.320 0.004 0.000 0.251 546 K C -0.542 175.950 176.600 -0.180 0.000 1.037 546 K CA -0.293 55.736 56.287 -0.430 0.000 0.980 546 K CB 0.756 32.848 32.500 -0.680 0.000 1.280 546 K HN 0.525 nan 8.250 nan 0.000 0.451 547 I N 3.078 123.602 120.570 -0.078 0.000 2.517 547 I HA 0.028 4.200 4.170 0.004 0.000 0.285 547 I C 0.898 177.072 176.117 0.095 0.000 1.106 547 I CA -0.165 61.143 61.300 0.013 0.000 1.402 547 I CB 0.723 38.740 38.000 0.029 0.000 1.399 547 I HN 0.623 nan 8.210 nan 0.000 0.535 548 A N 6.516 129.383 122.820 0.079 0.000 2.386 548 A HA 0.212 4.535 4.320 0.004 0.000 0.246 548 A C 0.137 177.782 177.584 0.101 0.000 1.089 548 A CA -0.361 51.742 52.037 0.110 0.000 0.790 548 A CB 0.215 19.254 19.000 0.065 0.000 1.042 548 A HN 0.825 nan 8.150 nan 0.000 0.497 549 c N 0.712 119.376 118.600 0.107 0.000 2.520 549 c HA 0.476 5.048 4.570 0.004 0.000 0.376 549 c C 0.452 174.576 174.090 0.057 0.000 1.268 549 c CA -0.558 55.824 56.329 0.088 0.000 2.414 549 c CB -0.101 42.470 42.510 0.102 0.000 2.521 549 c HN 0.784 nan 8.230 nan 0.000 0.618 550 E N 1.640 121.866 120.200 0.044 0.000 2.204 550 E HA 0.230 4.582 4.350 0.004 0.000 0.276 550 E C -1.676 174.938 176.600 0.023 0.000 0.974 550 E CA -2.080 54.337 56.400 0.027 0.000 0.815 550 E CB 0.636 30.349 29.700 0.022 0.000 1.119 550 E HN 0.292 nan 8.360 nan 0.000 0.393 551 P HA -0.284 nan 4.420 nan 0.000 0.221 551 P C 1.230 178.533 177.300 0.004 0.000 1.153 551 P CA 1.808 64.912 63.100 0.006 0.000 0.858 551 P CB 0.422 32.120 31.700 -0.002 0.000 0.783 552 Q N -0.428 119.375 119.800 0.005 0.000 2.187 552 Q HA -0.088 4.255 4.340 0.004 0.000 0.199 552 Q C 0.608 176.610 176.000 0.003 0.000 0.957 552 Q CA 1.373 57.176 55.803 0.001 0.000 0.857 552 Q CB -0.601 28.139 28.738 0.003 0.000 0.929 552 Q HN 0.211 nan 8.270 nan 0.000 0.453 553 D N 0.136 120.547 120.400 0.018 0.000 2.722 553 D HA 0.011 4.653 4.640 0.004 0.000 0.239 553 D C 0.747 177.077 176.300 0.050 0.000 1.249 553 D CA 0.015 54.031 54.000 0.028 0.000 0.830 553 D CB 0.681 41.504 40.800 0.039 0.000 1.025 553 D HN 0.112 nan 8.370 nan 0.000 0.486 554 V N 0.446 120.384 119.914 0.040 0.000 2.667 554 V HA -0.111 4.011 4.120 0.004 0.000 0.252 554 V C 1.443 177.614 176.094 0.129 0.000 1.065 554 V CA 1.366 63.718 62.300 0.087 0.000 1.083 554 V CB -0.148 31.709 31.823 0.056 0.000 0.692 554 V HN 0.044 nan 8.190 nan 0.000 0.468 555 K N -1.192 119.200 120.400 -0.012 0.000 2.437 555 K HA 0.207 4.529 4.320 0.004 0.000 0.205 555 K C 0.675 177.299 176.600 0.040 0.000 1.026 555 K CA 0.123 56.345 56.287 -0.108 0.000 1.153 555 K CB 0.052 32.328 32.500 -0.373 0.000 0.863 555 K HN 0.456 nan 8.250 nan 0.000 0.502 556 c N -0.154 118.502 118.600 0.093 0.000 3.255 556 c HA 0.254 4.826 4.570 0.004 0.000 0.282 556 c C 1.339 175.489 174.090 0.100 0.000 1.441 556 c CA -0.870 55.504 56.329 0.074 0.000 1.785 556 c CB -0.269 42.263 42.510 0.037 0.000 2.583 556 c HN 0.573 nan 8.230 nan 0.000 0.615 557 G N 0.538 109.437 108.800 0.165 0.000 3.227 557 G HA2 0.404 4.367 3.960 0.004 0.000 0.171 557 G HA3 0.404 4.367 3.960 0.004 0.000 0.171 557 G C -0.197 174.748 174.900 0.076 0.000 1.463 557 G CA -0.312 44.850 45.100 0.103 0.000 1.016 557 G HN 0.296 nan 8.290 nan 0.000 0.594 558 R N -0.247 120.268 120.500 0.025 0.000 2.489 558 R HA 0.263 4.605 4.340 0.004 0.000 0.287 558 R C -0.321 175.975 176.300 -0.007 0.000 1.053 558 R CA -0.460 55.596 56.100 -0.075 0.000 1.036 558 R CB 0.107 30.298 30.300 -0.182 0.000 0.966 558 R HN 0.250 nan 8.270 nan 0.000 0.432 559 L N 6.076 127.294 121.223 -0.009 0.000 2.360 559 L HA 0.242 4.584 4.340 0.004 0.000 0.276 559 L C -1.296 175.487 176.870 -0.144 0.000 1.121 559 L CA 0.281 55.177 54.840 0.093 0.000 0.845 559 L CB 0.131 42.265 42.059 0.125 0.000 1.143 559 L HN 0.560 nan 8.230 nan 0.000 0.452 560 Y N 4.478 124.559 120.300 -0.365 0.000 2.335 560 Y HA 0.520 5.072 4.550 0.003 0.000 0.339 560 Y C 0.447 176.254 175.900 -0.156 0.000 0.987 560 Y CA -0.438 57.413 58.100 -0.416 0.000 1.140 560 Y CB 1.168 39.121 38.460 -0.844 0.000 1.173 560 Y HN 0.626 nan 8.280 nan 0.000 0.486 561 c N 3.124 121.735 118.600 0.019 0.000 3.028 561 c HA 0.808 5.380 4.570 0.004 0.000 0.338 561 c C -0.844 173.247 174.090 0.001 0.000 1.366 561 c CA -1.364 54.997 56.329 0.053 0.000 1.610 561 c CB 1.634 44.174 42.510 0.050 0.000 2.063 561 c HN 0.790 nan 8.230 nan 0.000 0.463 562 F N 0.473 120.289 119.950 -0.223 0.000 2.639 562 F HA 0.625 5.154 4.527 0.003 0.000 0.326 562 F C -3.115 172.587 175.800 -0.164 0.000 1.150 562 F CA -1.543 56.319 58.000 -0.231 0.000 1.057 562 F CB 0.813 39.731 39.000 -0.137 0.000 1.300 562 F HN 0.413 nan 8.300 nan 0.000 0.486 563 P HA 0.157 nan 4.420 nan 0.000 0.274 563 P C -0.423 176.594 177.300 -0.472 0.000 1.246 563 P CA -0.265 62.608 63.100 -0.379 0.000 0.795 563 P CB 1.000 32.583 31.700 -0.194 0.000 1.006 564 N N -1.251 117.255 118.700 -0.324 0.000 2.370 564 N HA -0.024 4.718 4.740 0.004 0.000 0.198 564 N C 0.429 175.872 175.510 -0.112 0.000 1.156 564 N CA -0.487 52.419 53.050 -0.241 0.000 0.839 564 N CB -0.030 38.352 38.487 -0.174 0.000 0.989 564 N HN 0.167 nan 8.380 nan 0.000 0.468 565 S N 1.490 117.137 115.700 -0.089 0.000 2.525 565 S HA 0.096 4.568 4.470 0.004 0.000 0.285 565 S C -1.341 173.253 174.600 -0.011 0.000 1.283 565 S CA -1.276 56.900 58.200 -0.040 0.000 1.072 565 S CB 0.878 64.058 63.200 -0.033 0.000 0.867 565 S HN 0.142 nan 8.310 nan 0.000 0.492 566 P HA -0.007 nan 4.420 nan 0.000 0.220 566 P C 0.609 177.916 177.300 0.012 0.000 1.148 566 P CA 0.820 63.925 63.100 0.009 0.000 0.803 566 P CB 0.162 31.864 31.700 0.003 0.000 0.782 567 E N -1.176 119.026 120.200 0.004 0.000 2.481 567 E HA -0.012 4.340 4.350 0.004 0.000 0.195 567 E C 0.615 177.218 176.600 0.004 0.000 1.047 567 E CA -0.002 56.399 56.400 0.002 0.000 0.867 567 E CB -0.917 28.781 29.700 -0.004 0.000 0.858 567 E HN 0.261 nan 8.360 nan 0.000 0.513 568 N N 1.278 119.985 118.700 0.012 0.000 2.492 568 N HA -0.036 4.707 4.740 0.004 0.000 0.260 568 N C 0.135 175.662 175.510 0.029 0.000 1.215 568 N CA 0.495 53.557 53.050 0.019 0.000 0.923 568 N CB 0.502 39.013 38.487 0.040 0.000 1.092 568 N HN -0.147 nan 8.380 nan 0.000 0.448 569 K N 1.093 121.499 120.400 0.009 0.000 2.483 569 K HA 0.238 4.560 4.320 0.004 0.000 0.206 569 K C -0.796 175.791 176.600 -0.023 0.000 1.086 569 K CA -0.394 55.891 56.287 -0.003 0.000 1.052 569 K CB 0.380 32.873 32.500 -0.012 0.000 0.904 569 K HN 0.507 nan 8.250 nan 0.000 0.557 570 N N 2.207 120.893 118.700 -0.022 0.000 2.392 570 N HA 0.153 4.895 4.740 0.004 0.000 0.283 570 N C -2.076 173.381 175.510 -0.089 0.000 1.003 570 N CA -1.414 51.599 53.050 -0.062 0.000 0.892 570 N CB 1.804 40.242 38.487 -0.082 0.000 1.193 570 N HN -0.131 nan 8.380 nan 0.000 0.487 571 P HA 0.021 nan 4.420 nan 0.000 0.218 571 P C -0.056 177.114 177.300 -0.217 0.000 1.152 571 P CA 0.611 63.538 63.100 -0.288 0.000 0.826 571 P CB 0.355 31.915 31.700 -0.235 0.000 0.790 572 c N 1.779 120.282 118.600 -0.160 0.000 2.322 572 c HA 0.531 5.103 4.570 0.004 0.000 0.324 572 c C -0.031 173.953 174.090 -0.176 0.000 1.284 572 c CA -0.861 55.399 56.329 -0.114 0.000 1.606 572 c CB 0.191 42.627 42.510 -0.124 0.000 2.251 572 c HN 0.206 nan 8.230 nan 0.000 0.502 573 N N 2.737 121.325 118.700 -0.187 0.000 2.430 573 N HA 0.466 5.208 4.740 0.004 0.000 0.290 573 N C -1.265 174.059 175.510 -0.311 0.000 1.063 573 N CA -0.442 52.431 53.050 -0.295 0.000 0.883 573 N CB 1.971 40.239 38.487 -0.365 0.000 1.465 573 N HN 0.409 nan 8.380 nan 0.000 0.493 574 I N 1.814 122.207 120.570 -0.294 0.000 2.577 574 I HA 0.317 4.489 4.170 0.004 0.000 0.305 574 I C -0.072 176.146 176.117 0.169 0.000 0.986 574 I CA -0.796 60.393 61.300 -0.185 0.000 1.189 574 I CB 0.864 38.606 38.000 -0.429 0.000 1.355 574 I HN 0.462 nan 8.210 nan 0.000 0.476 575 Y N 5.611 126.010 120.300 0.166 0.000 2.341 575 Y HA 0.492 5.044 4.550 0.003 0.000 0.337 575 Y C -1.383 174.591 175.900 0.123 0.000 1.014 575 Y CA -0.447 57.739 58.100 0.144 0.000 1.111 575 Y CB 1.317 39.742 38.460 -0.058 0.000 1.194 575 Y HN 0.513 nan 8.280 nan 0.000 0.462 576 Y N 3.792 123.999 120.300 -0.155 0.000 2.544 576 Y HA 0.519 5.071 4.550 0.003 0.000 0.342 576 Y C -1.548 174.294 175.900 -0.098 0.000 1.062 576 Y CA -0.728 57.362 58.100 -0.017 0.000 1.023 576 Y CB 1.955 40.425 38.460 0.017 0.000 1.308 576 Y HN 0.552 nan 8.280 nan 0.000 0.457 577 S N 5.752 120.980 115.700 -0.787 0.000 2.614 577 S HA 0.478 4.950 4.470 0.004 0.000 0.288 577 S C -2.626 171.533 174.600 -0.734 0.000 1.137 577 S CA -1.609 56.283 58.200 -0.513 0.000 0.992 577 S CB 1.892 64.950 63.200 -0.237 0.000 1.026 577 S HN 0.504 nan 8.310 nan 0.000 0.486 578 P HA -0.012 nan 4.420 nan 0.000 0.217 578 P C 0.812 178.064 177.300 -0.080 0.000 1.150 578 P CA 1.157 64.246 63.100 -0.018 0.000 0.832 578 P CB -0.024 31.740 31.700 0.107 0.000 0.787 579 N N -0.879 117.759 118.700 -0.104 0.000 2.058 579 N HA -0.138 4.604 4.740 0.004 0.000 0.191 579 N C 0.464 175.919 175.510 -0.091 0.000 1.037 579 N CA 1.079 54.081 53.050 -0.080 0.000 0.848 579 N CB -0.277 38.164 38.487 -0.077 0.000 1.021 579 N HN 0.097 nan 8.380 nan 0.000 0.422 580 D N -0.292 120.028 120.400 -0.134 0.000 2.378 580 D HA 0.122 4.764 4.640 0.004 0.000 0.265 580 D C -0.197 176.018 176.300 -0.143 0.000 1.229 580 D CA -0.214 53.724 54.000 -0.103 0.000 0.914 580 D CB 0.479 41.238 40.800 -0.069 0.000 1.140 580 D HN 0.028 nan 8.370 nan 0.000 0.516 581 E N 1.172 121.301 120.200 -0.119 0.000 2.393 581 E HA -0.191 4.161 4.350 0.004 0.000 0.201 581 E C 0.874 177.519 176.600 0.075 0.000 1.025 581 E CA 0.540 56.912 56.400 -0.048 0.000 0.856 581 E CB 0.355 30.139 29.700 0.140 0.000 0.771 581 E HN 0.542 nan 8.360 nan 0.000 0.526 582 D N 1.307 121.731 120.400 0.041 0.000 2.194 582 D HA -0.087 4.555 4.640 0.004 0.000 0.204 582 D C 0.727 177.032 176.300 0.008 0.000 0.964 582 D CA 0.485 54.516 54.000 0.052 0.000 0.846 582 D CB 0.225 41.045 40.800 0.034 0.000 0.962 582 D HN -0.105 nan 8.370 nan 0.000 0.490 583 K N -0.191 120.198 120.400 -0.018 0.000 2.484 583 K HA 0.183 4.505 4.320 0.004 0.000 0.280 583 K C 0.733 177.337 176.600 0.006 0.000 1.013 583 K CA 1.127 57.398 56.287 -0.028 0.000 1.029 583 K CB 0.228 32.727 32.500 -0.001 0.000 0.902 583 K HN 0.145 nan 8.250 nan 0.000 0.481 584 G N 3.216 111.952 108.800 -0.107 0.000 2.157 584 G HA2 -0.207 3.755 3.960 0.004 0.000 0.248 584 G HA3 -0.207 3.755 3.960 0.004 0.000 0.248 584 G C -0.099 174.777 174.900 -0.041 0.000 0.979 584 G CA 0.156 45.195 45.100 -0.101 0.000 0.650 584 G HN 0.439 nan 8.290 nan 0.000 0.529 585 M N 0.668 120.243 119.600 -0.042 0.000 2.342 585 M HA 0.450 4.932 4.480 0.004 0.000 0.332 585 M C 1.135 177.425 176.300 -0.016 0.000 1.166 585 M CA -0.791 54.492 55.300 -0.030 0.000 1.086 585 M CB 1.316 33.900 32.600 -0.027 0.000 1.541 585 M HN -0.045 nan 8.290 nan 0.000 0.462 586 V N 3.662 123.589 119.914 0.022 0.000 2.617 586 V HA -0.064 4.058 4.120 0.004 0.000 0.304 586 V C 0.725 176.808 176.094 -0.019 0.000 1.040 586 V CA -0.026 62.292 62.300 0.029 0.000 1.149 586 V CB -0.500 31.366 31.823 0.071 0.000 0.914 586 V HN 0.613 nan 8.190 nan 0.000 0.487 587 L N 7.108 128.307 121.223 -0.040 0.000 2.461 587 L HA 0.236 4.578 4.340 0.004 0.000 0.272 587 L C -1.987 174.803 176.870 -0.133 0.000 1.197 587 L CA -1.476 53.323 54.840 -0.068 0.000 0.836 587 L CB 0.193 42.217 42.059 -0.059 0.000 1.105 587 L HN 0.445 nan 8.230 nan 0.000 0.477 588 P HA 0.001 nan 4.420 nan 0.000 0.267 588 P C 0.573 177.423 177.300 -0.750 0.000 1.200 588 P CA 0.560 63.407 63.100 -0.422 0.000 0.772 588 P CB 0.538 32.007 31.700 -0.385 0.000 0.855 589 G N 1.072 109.420 108.800 -0.753 0.000 2.179 589 G HA2 -0.230 3.732 3.960 0.004 0.000 0.257 589 G HA3 -0.230 3.732 3.960 0.004 0.000 0.257 589 G C 0.182 174.948 174.900 -0.223 0.000 1.010 589 G CA 0.205 44.966 45.100 -0.565 0.000 0.736 589 G HN 0.596 nan 8.290 nan 0.000 0.513 590 T N 0.299 114.743 114.554 -0.184 0.000 2.817 590 T HA 0.398 4.751 4.350 0.004 0.000 0.293 590 T C 0.615 175.255 174.700 -0.100 0.000 0.964 590 T CA -0.149 61.882 62.100 -0.116 0.000 1.085 590 T CB 1.469 70.284 68.868 -0.087 0.000 0.921 590 T HN 0.438 nan 8.240 nan 0.000 0.502 591 K N 2.423 122.738 120.400 -0.141 0.000 2.382 591 K HA 0.067 4.389 4.320 0.004 0.000 0.286 591 K C 1.138 177.667 176.600 -0.120 0.000 1.062 591 K CA -0.417 55.767 56.287 -0.171 0.000 1.000 591 K CB -0.288 32.003 32.500 -0.349 0.000 0.954 591 K HN 0.859 nan 8.250 nan 0.000 0.470 592 c N 2.652 121.206 118.600 -0.077 0.000 2.525 592 c HA 0.463 5.036 4.570 0.004 0.000 0.291 592 c C 1.249 175.286 174.090 -0.089 0.000 1.351 592 c CA 0.168 56.442 56.329 -0.092 0.000 1.771 592 c CB -0.745 41.727 42.510 -0.063 0.000 2.177 592 c HN 0.758 nan 8.230 nan 0.000 0.510 593 A N 0.723 123.521 122.820 -0.037 0.000 3.509 593 A HA 0.556 4.878 4.320 0.004 0.000 0.188 593 A C 0.789 178.381 177.584 0.014 0.000 1.116 593 A CA 0.577 52.602 52.037 -0.020 0.000 0.859 593 A CB -0.316 18.684 19.000 0.000 0.000 1.471 593 A HN 0.186 nan 8.150 nan 0.000 0.606 594 D N -0.344 120.083 120.400 0.044 0.000 2.049 594 D HA 0.012 4.654 4.640 0.004 0.000 0.240 594 D C 0.669 177.105 176.300 0.225 0.000 0.979 594 D CA 0.898 54.950 54.000 0.087 0.000 0.915 594 D CB -0.027 40.809 40.800 0.061 0.000 1.050 594 D HN 0.374 nan 8.370 nan 0.000 0.444 595 R N 0.202 120.807 120.500 0.176 0.000 4.518 595 R HA 0.280 4.622 4.340 0.004 0.000 0.243 595 R C -0.396 175.971 176.300 0.113 0.000 1.720 595 R CA 0.065 56.254 56.100 0.148 0.000 1.526 595 R CB 0.259 30.548 30.300 -0.019 0.000 1.425 595 R HN 0.087 nan 8.270 nan 0.000 0.787 596 K N 0.070 120.624 120.400 0.257 0.000 2.523 596 K HA 0.667 4.989 4.320 0.004 0.000 0.257 596 K C -1.357 175.358 176.600 0.192 0.000 0.932 596 K CA -0.884 55.494 56.287 0.152 0.000 0.812 596 K CB 2.510 35.051 32.500 0.069 0.000 1.326 596 K HN 0.122 nan 8.250 nan 0.000 0.433 597 A N 1.015 123.915 122.820 0.134 0.000 2.498 597 A HA 0.552 4.874 4.320 0.004 0.000 0.298 597 A C -0.733 176.855 177.584 0.006 0.000 1.075 597 A CA -0.702 51.383 52.037 0.080 0.000 0.714 597 A CB 1.022 20.106 19.000 0.140 0.000 1.299 597 A HN 0.822 nan 8.150 nan 0.000 0.407 598 c N 1.118 119.694 118.600 -0.040 0.000 2.648 598 c HA 0.442 5.014 4.570 0.004 0.000 0.415 598 c C 1.857 175.894 174.090 -0.088 0.000 1.366 598 c CA 0.693 56.990 56.329 -0.053 0.000 1.756 598 c CB 0.119 42.594 42.510 -0.058 0.000 2.549 598 c HN 0.987 nan 8.230 nan 0.000 0.597 599 S N 1.526 117.198 115.700 -0.045 0.000 2.807 599 S HA 0.191 4.663 4.470 0.004 0.000 0.247 599 S C 0.270 174.861 174.600 -0.015 0.000 1.078 599 S CA 0.341 58.517 58.200 -0.039 0.000 0.867 599 S CB 0.120 63.321 63.200 0.002 0.000 0.797 599 S HN 0.854 nan 8.310 nan 0.000 0.515 600 N N 0.313 119.016 118.700 0.005 0.000 2.839 600 N HA 0.268 5.010 4.740 0.004 0.000 0.230 600 N C 0.061 175.593 175.510 0.036 0.000 1.388 600 N CA 0.536 53.600 53.050 0.023 0.000 0.747 600 N CB 0.997 39.502 38.487 0.030 0.000 1.411 600 N HN 0.462 nan 8.380 nan 0.000 0.556 601 G N 1.372 110.198 108.800 0.043 0.000 2.200 601 G HA2 -0.319 3.644 3.960 0.004 0.000 0.268 601 G HA3 -0.319 3.644 3.960 0.004 0.000 0.268 601 G C -0.028 174.902 174.900 0.051 0.000 0.986 601 G CA 0.689 45.827 45.100 0.063 0.000 0.677 601 G HN 0.523 nan 8.290 nan 0.000 0.532 602 Q N -1.307 118.513 119.800 0.033 0.000 2.337 602 Q HA 0.459 4.802 4.340 0.004 0.000 0.270 602 Q C -0.290 175.719 176.000 0.015 0.000 1.043 602 Q CA -0.718 55.101 55.803 0.026 0.000 0.794 602 Q CB 2.256 31.009 28.738 0.024 0.000 1.281 602 Q HN 0.283 nan 8.270 nan 0.000 0.446 603 c N 4.470 123.078 118.600 0.013 0.000 2.756 603 c HA 0.266 4.838 4.570 0.004 0.000 0.504 603 c C 0.575 174.673 174.090 0.013 0.000 1.028 603 c CA -0.332 56.001 56.329 0.007 0.000 1.167 603 c CB -1.713 40.796 42.510 -0.002 0.000 1.444 603 c HN 0.552 nan 8.230 nan 0.000 0.577 604 V N 4.234 124.157 119.914 0.015 0.000 3.376 604 V HA 0.096 4.218 4.120 0.004 0.000 0.303 604 V C 0.444 176.551 176.094 0.021 0.000 1.100 604 V CA 0.220 62.530 62.300 0.017 0.000 1.126 604 V CB 0.607 32.440 31.823 0.017 0.000 1.085 604 V HN 0.592 nan 8.190 nan 0.000 0.480 605 D N 0.454 120.862 120.400 0.013 0.000 2.350 605 D HA 0.219 4.862 4.640 0.004 0.000 0.249 605 D C 0.819 177.115 176.300 -0.007 0.000 1.119 605 D CA -0.043 53.960 54.000 0.004 0.000 0.886 605 D CB 1.542 42.338 40.800 -0.006 0.000 1.195 605 D HN 0.302 nan 8.370 nan 0.000 0.437 606 V N 3.060 122.955 119.914 -0.031 0.000 2.233 606 V HA -0.228 3.894 4.120 0.004 0.000 0.252 606 V C 1.164 177.209 176.094 -0.082 0.000 1.063 606 V CA 2.378 64.622 62.300 -0.093 0.000 1.032 606 V CB -0.718 30.887 31.823 -0.363 0.000 0.645 606 V HN 0.873 nan 8.190 nan 0.000 0.446 607 T N 0.322 114.820 114.554 -0.093 0.000 3.058 607 T HA 0.373 4.725 4.350 0.004 0.000 0.249 607 T C -0.056 174.628 174.700 -0.027 0.000 0.949 607 T CA 0.475 62.538 62.100 -0.062 0.000 1.204 607 T CB -0.603 68.228 68.868 -0.061 0.000 0.963 607 T HN 0.679 nan 8.240 nan 0.000 0.634 608 T N 0.000 114.548 114.554 -0.011 0.000 3.816 608 T HA 0.000 4.352 4.350 0.004 0.000 0.228 608 T CA 0.000 62.103 62.100 0.006 0.000 1.349 608 T CB 0.000 68.876 68.868 0.013 0.000 0.612 608 T HN 0.000 nan 8.240 nan 0.000 0.658