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 2ero_1_B 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 DVTTPY 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 0.000 174.604 174.600 0.007 0.000 1.055 185 S CA 0.000 58.205 58.200 0.008 0.000 1.107 185 S CB 0.000 63.205 63.200 0.009 0.000 0.593 186 N N 1.873 120.577 118.700 0.007 0.000 2.395 186 N HA 0.422 5.162 4.740 -0.000 0.000 0.175 186 N C 0.005 175.517 175.510 0.002 0.000 1.029 186 N CA 0.622 53.675 53.050 0.004 0.000 0.897 186 N CB -0.073 38.417 38.487 0.005 0.000 0.991 186 N HN 0.484 nan 8.380 nan 0.000 0.441 187 L N 0.722 121.949 121.223 0.006 0.000 2.322 187 L HA 0.398 4.738 4.340 -0.000 0.000 0.279 187 L C 0.627 177.502 176.870 0.008 0.000 1.036 187 L CA -0.984 53.860 54.840 0.006 0.000 0.807 187 L CB 1.370 43.437 42.059 0.014 0.000 1.226 187 L HN 0.086 nan 8.230 nan 0.000 0.433 188 T N -1.418 113.139 114.554 0.004 0.000 2.860 188 T HA 0.170 4.520 4.350 -0.000 0.000 0.299 188 T C -1.886 172.825 174.700 0.017 0.000 1.045 188 T CA -1.376 60.728 62.100 0.007 0.000 1.071 188 T CB 0.963 69.830 68.868 -0.001 0.000 0.985 188 T HN 0.372 nan 8.240 nan 0.000 0.537 189 P HA -0.051 nan 4.420 nan 0.000 0.221 189 P C 1.313 178.637 177.300 0.039 0.000 1.145 189 P CA 0.848 63.964 63.100 0.028 0.000 0.795 189 P CB 0.120 31.835 31.700 0.025 0.000 0.775 190 E N -0.249 119.972 120.200 0.034 0.000 2.033 190 E HA -0.186 4.164 4.350 -0.000 0.000 0.189 190 E C 1.938 178.580 176.600 0.069 0.000 0.979 190 E CA 0.869 57.295 56.400 0.044 0.000 0.802 190 E CB -0.199 29.511 29.700 0.016 0.000 0.763 190 E HN 0.221 nan 8.360 nan 0.000 0.449 191 Q N 0.134 119.960 119.800 0.043 0.000 2.020 191 Q HA -0.249 4.091 4.340 -0.000 0.000 0.202 191 Q C 2.268 178.336 176.000 0.113 0.000 0.982 191 Q CA 1.760 57.602 55.803 0.065 0.000 0.838 191 Q CB -0.161 28.588 28.738 0.018 0.000 0.899 191 Q HN 0.156 nan 8.270 nan 0.000 0.423 192 Q N 1.139 120.981 119.800 0.070 0.000 2.077 192 Q HA -0.232 4.108 4.340 -0.000 0.000 0.206 192 Q C 1.887 177.929 176.000 0.069 0.000 0.989 192 Q CA 2.034 57.872 55.803 0.059 0.000 0.853 192 Q CB -0.186 28.576 28.738 0.039 0.000 0.907 192 Q HN 0.223 nan 8.270 nan 0.000 0.418 193 R N -1.387 119.160 120.500 0.079 0.000 2.096 193 R HA -0.197 4.143 4.340 -0.000 0.000 0.235 193 R C 2.216 178.573 176.300 0.095 0.000 1.127 193 R CA 1.548 57.695 56.100 0.077 0.000 0.968 193 R CB -0.614 29.735 30.300 0.080 0.000 0.861 193 R HN 0.468 nan 8.270 nan 0.000 0.440 194 Y N 0.810 121.120 120.300 0.017 0.000 2.181 194 Y HA -0.143 4.407 4.550 -0.000 0.000 0.288 194 Y C 1.686 177.597 175.900 0.018 0.000 1.146 194 Y CA 1.699 59.811 58.100 0.019 0.000 1.164 194 Y CB -0.138 38.323 38.460 0.002 0.000 0.982 194 Y HN 0.038 nan 8.280 nan 0.000 0.515 195 L N 0.232 121.464 121.223 0.014 0.000 2.083 195 L HA -0.239 4.101 4.340 -0.000 0.000 0.209 195 L C 1.693 178.508 176.870 -0.090 0.000 1.083 195 L CA 1.307 56.109 54.840 -0.062 0.000 0.752 195 L CB -0.594 41.486 42.059 0.035 0.000 0.899 195 L HN 0.287 nan 8.230 nan 0.000 0.433 196 N N 0.361 119.033 118.700 -0.047 0.000 2.494 196 N HA 0.041 4.781 4.740 -0.000 0.000 0.182 196 N C 0.682 176.163 175.510 -0.049 0.000 1.076 196 N CA 0.455 53.486 53.050 -0.033 0.000 0.908 196 N CB -0.067 38.419 38.487 -0.003 0.000 0.967 196 N HN 0.192 nan 8.380 nan 0.000 0.449 197 A N 1.122 123.885 122.820 -0.094 0.000 2.407 197 A HA 0.197 4.517 4.320 -0.000 0.000 0.248 197 A C 0.357 177.885 177.584 -0.093 0.000 1.082 197 A CA -0.265 51.727 52.037 -0.075 0.000 0.785 197 A CB 0.475 19.415 19.000 -0.100 0.000 1.020 197 A HN 0.085 nan 8.150 nan 0.000 0.489 198 K N 1.567 121.946 120.400 -0.035 0.000 2.298 198 K HA 0.244 4.564 4.320 -0.000 0.000 0.280 198 K C -0.353 176.133 176.600 -0.190 0.000 1.032 198 K CA -0.281 55.935 56.287 -0.118 0.000 0.958 198 K CB 0.558 33.005 32.500 -0.090 0.000 0.978 198 K HN 0.446 nan 8.250 nan 0.000 0.472 199 K N 2.490 122.723 120.400 -0.278 0.000 2.123 199 K HA 0.371 4.691 4.320 -0.000 0.000 0.259 199 K C -0.874 175.514 176.600 -0.352 0.000 0.960 199 K CA -0.587 55.593 56.287 -0.177 0.000 0.872 199 K CB 0.990 33.456 32.500 -0.057 0.000 1.079 199 K HN 0.426 nan 8.250 nan 0.000 0.440 200 Y N -0.639 119.709 120.300 0.080 0.000 2.386 200 Y HA 0.267 4.817 4.550 -0.000 0.000 0.334 200 Y C -0.313 175.600 175.900 0.021 0.000 1.002 200 Y CA -1.030 57.114 58.100 0.073 0.000 1.068 200 Y CB 1.837 40.358 38.460 0.101 0.000 1.203 200 Y HN 0.073 nan 8.280 nan 0.000 0.443 201 V N 4.526 124.488 119.914 0.080 0.000 2.304 201 V HA 0.255 4.375 4.120 -0.000 0.000 0.269 201 V C -0.284 175.823 176.094 0.022 0.000 1.036 201 V CA -1.151 61.159 62.300 0.017 0.000 0.840 201 V CB 0.724 32.477 31.823 -0.116 0.000 1.036 201 V HN 0.613 nan 8.190 nan 0.000 0.466 202 K N 5.047 125.495 120.400 0.081 0.000 2.220 202 K HA 0.288 4.608 4.320 -0.000 0.000 0.283 202 K C -0.445 176.239 176.600 0.140 0.000 1.098 202 K CA -0.428 55.915 56.287 0.092 0.000 0.928 202 K CB 0.652 33.222 32.500 0.116 0.000 1.214 202 K HN 0.411 nan 8.250 nan 0.000 0.442 203 L N 3.591 124.866 121.223 0.087 0.000 2.326 203 L HA 0.397 4.737 4.340 -0.000 0.000 0.278 203 L C -1.034 175.919 176.870 0.138 0.000 1.092 203 L CA -0.150 54.760 54.840 0.117 0.000 0.810 203 L CB 0.393 42.470 42.059 0.030 0.000 1.153 203 L HN 0.422 nan 8.230 nan 0.000 0.439 204 F N 5.589 125.551 119.950 0.019 0.000 2.477 204 F HA 0.570 5.097 4.527 -0.000 0.000 0.335 204 F C -1.193 174.610 175.800 0.003 0.000 1.130 204 F CA -0.639 57.316 58.000 -0.075 0.000 0.948 204 F CB 1.109 39.859 39.000 -0.417 0.000 1.154 204 F HN 0.312 nan 8.300 nan 0.000 0.439 205 L N 6.652 127.725 121.223 -0.250 0.000 2.325 205 L HA 0.715 5.055 4.340 -0.000 0.000 0.278 205 L C -1.046 175.748 176.870 -0.127 0.000 1.023 205 L CA -1.150 53.635 54.840 -0.093 0.000 0.811 205 L CB 1.922 43.902 42.059 -0.131 0.000 1.249 205 L HN 0.307 nan 8.230 nan 0.000 0.431 206 V N 1.905 121.782 119.914 -0.060 0.000 2.588 206 V HA 0.672 4.792 4.120 -0.000 0.000 0.304 206 V C -0.106 175.737 176.094 -0.418 0.000 1.042 206 V CA -0.618 61.528 62.300 -0.257 0.000 0.877 206 V CB 1.773 33.423 31.823 -0.289 0.000 0.996 206 V HN 0.845 nan 8.190 nan 0.000 0.425 207 A N 3.390 125.942 122.820 -0.447 0.000 2.318 207 A HA 0.770 5.090 4.320 -0.000 0.000 0.324 207 A C -0.287 177.086 177.584 -0.353 0.000 1.170 207 A CA -0.617 51.226 52.037 -0.324 0.000 0.810 207 A CB 0.798 19.673 19.000 -0.208 0.000 1.198 207 A HN 0.903 nan 8.150 nan 0.000 0.484 208 D N 1.053 121.336 120.400 -0.196 0.000 2.451 208 D HA 0.015 4.655 4.640 -0.000 0.000 0.259 208 D C 0.874 177.315 176.300 0.235 0.000 1.201 208 D CA -0.392 53.643 54.000 0.058 0.000 1.028 208 D CB 0.132 41.003 40.800 0.119 0.000 1.095 208 D HN 0.443 nan 8.370 nan 0.000 0.539 209 Y N 0.108 120.544 120.300 0.226 0.000 2.151 209 Y HA -0.168 4.382 4.550 -0.000 0.000 0.284 209 Y C 2.099 178.109 175.900 0.182 0.000 1.166 209 Y CA 1.552 59.777 58.100 0.208 0.000 1.163 209 Y CB -0.426 38.133 38.460 0.164 0.000 0.974 209 Y HN 0.378 nan 8.280 nan 0.000 0.511 210 I N -0.829 119.786 120.570 0.074 0.000 2.361 210 I HA -0.352 3.818 4.170 -0.000 0.000 0.251 210 I C 2.263 178.353 176.117 -0.044 0.000 1.133 210 I CA 0.970 62.234 61.300 -0.060 0.000 1.413 210 I CB -0.396 37.594 38.000 -0.018 0.000 1.073 210 I HN 0.269 nan 8.210 nan 0.000 0.424 211 M N -0.322 119.301 119.600 0.039 0.000 2.117 211 M HA -0.243 4.237 4.480 -0.000 0.000 0.262 211 M C 2.479 178.886 176.300 0.178 0.000 1.065 211 M CA 1.916 57.285 55.300 0.116 0.000 1.114 211 M CB -1.259 31.375 32.600 0.058 0.000 1.361 211 M HN 0.258 nan 8.290 nan 0.000 0.408 212 Y N 1.255 121.543 120.300 -0.021 0.000 2.181 212 Y HA -0.190 4.360 4.550 -0.000 0.000 0.288 212 Y C 2.093 177.942 175.900 -0.085 0.000 1.146 212 Y CA 1.639 59.718 58.100 -0.035 0.000 1.164 212 Y CB -0.526 37.914 38.460 -0.035 0.000 0.982 212 Y HN 0.106 nan 8.280 nan 0.000 0.515 213 L N 0.183 121.213 121.223 -0.322 0.000 2.005 213 L HA -0.213 4.127 4.340 -0.000 0.000 0.207 213 L C 2.590 179.280 176.870 -0.299 0.000 1.072 213 L CA 1.882 56.475 54.840 -0.413 0.000 0.744 213 L CB -0.754 41.074 42.059 -0.386 0.000 0.895 213 L HN 0.118 nan 8.230 nan 0.000 0.433 214 K N 0.256 120.516 120.400 -0.233 0.000 2.127 214 K HA -0.234 4.086 4.320 -0.000 0.000 0.208 214 K C 1.099 177.405 176.600 -0.490 0.000 1.047 214 K CA 1.803 57.894 56.287 -0.327 0.000 0.927 214 K CB -0.151 32.163 32.500 -0.310 0.000 0.716 214 K HN 0.239 nan 8.250 nan 0.000 0.450 215 Y N 0.101 120.295 120.300 -0.176 0.000 2.718 215 Y HA 0.242 4.792 4.550 0.000 0.000 0.322 215 Y C 0.929 176.715 175.900 -0.189 0.000 1.122 215 Y CA 0.168 58.176 58.100 -0.153 0.000 1.348 215 Y CB 0.632 39.022 38.460 -0.118 0.000 1.174 215 Y HN 0.317 nan 8.280 nan 0.000 0.523 216 G N 1.183 109.871 108.800 -0.187 0.000 2.198 216 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.260 216 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.260 216 G C 0.602 175.327 174.900 -0.290 0.000 1.025 216 G CA 0.271 45.250 45.100 -0.202 0.000 0.769 216 G HN 0.566 nan 8.290 nan 0.000 0.507 217 R N -1.840 118.307 120.500 -0.589 0.000 3.525 217 R HA -0.213 4.127 4.340 -0.000 0.000 0.276 217 R C 0.147 176.274 176.300 -0.288 0.000 1.116 217 R CA 1.005 56.477 56.100 -1.046 0.000 0.745 217 R CB -1.597 28.331 30.300 -0.619 0.000 1.185 217 R HN 0.472 nan 8.270 nan 0.000 0.454 218 N N 0.988 119.618 118.700 -0.117 0.000 2.800 218 N HA 0.182 4.922 4.740 -0.000 0.000 0.240 218 N C 0.978 176.549 175.510 0.102 0.000 1.096 218 N CA -0.330 52.742 53.050 0.037 0.000 0.877 218 N CB 0.632 39.124 38.487 0.008 0.000 1.138 218 N HN 0.195 nan 8.380 nan 0.000 0.509 219 L N 0.895 122.231 121.223 0.189 0.000 2.137 219 L HA -0.225 4.115 4.340 -0.000 0.000 0.213 219 L C 1.761 178.636 176.870 0.009 0.000 1.085 219 L CA 1.340 56.253 54.840 0.121 0.000 0.760 219 L CB -0.511 41.607 42.059 0.098 0.000 0.893 219 L HN 0.424 nan 8.230 nan 0.000 0.434 220 T N -0.358 114.204 114.554 0.013 0.000 2.788 220 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 220 T C 1.998 176.658 174.700 -0.066 0.000 1.044 220 T CA 1.275 63.364 62.100 -0.018 0.000 1.139 220 T CB -0.172 68.702 68.868 0.010 0.000 0.867 220 T HN 0.485 nan 8.240 nan 0.000 0.454 221 A N 0.927 123.716 122.820 -0.052 0.000 1.897 221 A HA 0.045 4.365 4.320 -0.000 0.000 0.215 221 A C 2.576 180.009 177.584 -0.253 0.000 1.181 221 A CA 0.965 52.949 52.037 -0.088 0.000 0.620 221 A CB -0.880 18.131 19.000 0.019 0.000 0.821 221 A HN 0.332 nan 8.150 nan 0.000 0.443 222 V N 0.068 119.841 119.914 -0.235 0.000 2.295 222 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 222 V C 2.630 178.480 176.094 -0.406 0.000 1.049 222 V CA 2.339 64.415 62.300 -0.372 0.000 1.024 222 V CB -0.820 30.909 31.823 -0.157 0.000 0.648 222 V HN 0.619 nan 8.190 nan 0.000 0.447 223 R N -0.319 119.964 120.500 -0.361 0.000 2.083 223 R HA -0.186 4.154 4.340 -0.000 0.000 0.237 223 R C 2.446 178.231 176.300 -0.858 0.000 1.137 223 R CA 2.208 57.957 56.100 -0.585 0.000 0.951 223 R CB -0.534 29.503 30.300 -0.439 0.000 0.851 223 R HN 0.533 nan 8.270 nan 0.000 0.434 224 T N 0.222 114.478 114.554 -0.497 0.000 2.708 224 T HA -0.185 4.165 4.350 -0.000 0.000 0.266 224 T C 1.670 176.180 174.700 -0.316 0.000 1.037 224 T CA 1.699 63.614 62.100 -0.309 0.000 1.146 224 T CB -0.259 68.531 68.868 -0.131 0.000 0.865 224 T HN 0.249 nan 8.240 nan 0.000 0.435 225 R N 1.159 121.431 120.500 -0.380 0.000 2.096 225 R HA 0.004 4.344 4.340 -0.000 0.000 0.240 225 R C 2.302 178.412 176.300 -0.318 0.000 1.139 225 R CA 1.747 57.619 56.100 -0.380 0.000 0.952 225 R CB -0.552 29.397 30.300 -0.586 0.000 0.854 225 R HN 0.406 nan 8.270 nan 0.000 0.436 226 M N -1.015 118.364 119.600 -0.368 0.000 2.159 226 M HA -0.172 4.308 4.480 -0.000 0.000 0.263 226 M C 1.923 178.153 176.300 -0.118 0.000 1.063 226 M CA 1.777 56.916 55.300 -0.268 0.000 1.110 226 M CB -0.435 31.965 32.600 -0.333 0.000 1.374 226 M HN 0.233 nan 8.290 nan 0.000 0.411 227 Y N 0.661 120.884 120.300 -0.129 0.000 2.114 227 Y HA -0.266 4.284 4.550 0.000 0.000 0.284 227 Y C 2.367 178.207 175.900 -0.099 0.000 1.143 227 Y CA 0.285 58.328 58.100 -0.095 0.000 1.135 227 Y CB -0.382 38.029 38.460 -0.082 0.000 0.980 227 Y HN 0.264 nan 8.280 nan 0.000 0.499 228 D N 0.595 120.984 120.400 -0.018 0.000 2.133 228 D HA -0.200 4.440 4.640 -0.000 0.000 0.195 228 D C 2.033 178.300 176.300 -0.055 0.000 0.997 228 D CA 1.410 55.304 54.000 -0.176 0.000 0.840 228 D CB -0.380 40.038 40.800 -0.638 0.000 0.947 228 D HN 0.392 nan 8.370 nan 0.000 0.452 229 I N 0.450 121.004 120.570 -0.027 0.000 2.226 229 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 229 I C 2.389 178.570 176.117 0.106 0.000 1.100 229 I CA 0.610 61.963 61.300 0.089 0.000 1.374 229 I CB -0.059 37.961 38.000 0.033 0.000 1.057 229 I HN -0.110 nan 8.210 nan 0.000 0.413 230 V N 1.015 120.976 119.914 0.078 0.000 2.515 230 V HA -0.205 3.915 4.120 -0.000 0.000 0.250 230 V C 1.924 178.070 176.094 0.087 0.000 1.058 230 V CA 1.491 63.836 62.300 0.075 0.000 1.064 230 V CB -0.800 31.061 31.823 0.062 0.000 0.675 230 V HN 0.450 nan 8.190 nan 0.000 0.461 231 N N -0.021 118.739 118.700 0.099 0.000 2.453 231 N HA -0.082 4.658 4.740 -0.000 0.000 0.183 231 N C 1.481 177.070 175.510 0.133 0.000 1.041 231 N CA 0.938 54.052 53.050 0.107 0.000 0.900 231 N CB 0.147 38.689 38.487 0.093 0.000 0.961 231 N HN 0.389 nan 8.380 nan 0.000 0.443 232 V N 0.372 120.387 119.914 0.169 0.000 2.795 232 V HA 0.112 4.232 4.120 -0.000 0.000 0.243 232 V C 2.101 178.314 176.094 0.198 0.000 1.069 232 V CA 0.310 62.736 62.300 0.209 0.000 1.089 232 V CB 0.144 32.161 31.823 0.324 0.000 0.756 232 V HN 0.120 nan 8.190 nan 0.000 0.471 233 I N 0.357 121.032 120.570 0.176 0.000 2.252 233 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 233 I C 2.550 178.764 176.117 0.163 0.000 1.102 233 I CA 1.698 63.114 61.300 0.194 0.000 1.385 233 I CB -0.577 37.531 38.000 0.180 0.000 1.064 233 I HN 0.303 nan 8.210 nan 0.000 0.414 234 T N 1.926 116.515 114.554 0.059 0.000 2.635 234 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 234 T C -0.464 174.166 174.700 -0.116 0.000 1.040 234 T CA 1.891 63.934 62.100 -0.094 0.000 1.156 234 T CB -1.350 67.501 68.868 -0.027 0.000 0.863 234 T HN 0.310 nan 8.240 nan 0.000 0.430 235 P HA 0.062 nan 4.420 nan 0.000 0.221 235 P C 1.560 178.925 177.300 0.108 0.000 1.150 235 P CA 0.906 64.132 63.100 0.209 0.000 0.800 235 P CB -0.251 31.547 31.700 0.163 0.000 0.787 236 I N -1.666 118.945 120.570 0.069 0.000 2.226 236 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 236 I C 2.291 178.378 176.117 -0.049 0.000 1.100 236 I CA 1.675 62.972 61.300 -0.005 0.000 1.374 236 I CB -0.646 37.319 38.000 -0.057 0.000 1.057 236 I HN -0.110 nan 8.210 nan 0.000 0.413 237 Y N -0.437 119.893 120.300 0.050 0.000 2.544 237 Y HA -0.061 4.489 4.550 -0.000 0.000 0.286 237 Y C 2.442 178.328 175.900 -0.023 0.000 1.141 237 Y CA 0.594 58.714 58.100 0.035 0.000 1.299 237 Y CB -0.313 38.107 38.460 -0.067 0.000 1.030 237 Y HN 0.191 nan 8.280 nan 0.000 0.543 238 H N -0.160 118.991 119.070 0.135 0.000 2.457 238 H HA 0.005 4.561 4.556 0.000 0.000 0.294 238 H C 1.618 176.935 175.328 -0.018 0.000 1.064 238 H CA 0.999 57.064 56.048 0.028 0.000 1.330 238 H CB 0.131 29.863 29.762 -0.050 0.000 1.395 238 H HN 0.326 nan 8.280 nan 0.000 0.541 239 R N -0.207 120.369 120.500 0.126 0.000 2.323 239 R HA 0.055 4.395 4.340 -0.000 0.000 0.198 239 R C 0.822 177.163 176.300 0.067 0.000 0.988 239 R CA 0.311 56.458 56.100 0.079 0.000 1.041 239 R CB 0.341 30.694 30.300 0.088 0.000 0.926 239 R HN 0.172 nan 8.270 nan 0.000 0.476 240 M N 0.110 119.748 119.600 0.063 0.000 2.502 240 M HA 0.139 4.619 4.480 -0.000 0.000 0.351 240 M C -0.451 175.880 176.300 0.052 0.000 1.118 240 M CA -0.033 55.271 55.300 0.006 0.000 0.952 240 M CB 0.380 32.899 32.600 -0.136 0.000 1.424 240 M HN -0.020 nan 8.290 nan 0.000 0.529 241 N N 1.580 120.314 118.700 0.057 0.000 2.735 241 N HA -0.160 4.580 4.740 -0.000 0.000 0.248 241 N C -1.014 174.512 175.510 0.025 0.000 1.083 241 N CA 0.763 53.834 53.050 0.034 0.000 0.703 241 N CB -1.376 37.119 38.487 0.013 0.000 1.005 241 N HN 0.475 nan 8.380 nan 0.000 0.550 242 I N -0.448 120.164 120.570 0.069 0.000 2.533 242 I HA 0.208 4.378 4.170 -0.000 0.000 0.290 242 I C -0.086 176.047 176.117 0.026 0.000 1.056 242 I CA -0.930 60.381 61.300 0.019 0.000 1.057 242 I CB 1.819 39.838 38.000 0.031 0.000 1.240 242 I HN 0.081 nan 8.210 nan 0.000 0.423 243 H N 5.765 124.775 119.070 -0.101 0.000 2.541 243 H HA 0.495 5.051 4.556 0.000 0.000 0.316 243 H C -1.238 174.041 175.328 -0.081 0.000 1.043 243 H CA -0.424 55.594 56.048 -0.049 0.000 1.232 243 H CB 1.178 31.013 29.762 0.121 0.000 1.406 243 H HN 0.259 nan 8.280 nan 0.000 0.469 244 V N 4.779 124.268 119.914 -0.708 0.000 2.455 244 V HA 0.506 4.626 4.120 -0.000 0.000 0.273 244 V C 0.276 175.984 176.094 -0.643 0.000 1.045 244 V CA 0.113 62.108 62.300 -0.508 0.000 0.976 244 V CB 0.534 32.151 31.823 -0.342 0.000 0.993 244 V HN 0.975 nan 8.190 nan 0.000 0.475 245 A N 5.623 128.242 122.820 -0.335 0.000 2.335 245 A HA 0.695 5.015 4.320 -0.000 0.000 0.304 245 A C -0.841 176.689 177.584 -0.090 0.000 1.118 245 A CA -0.664 51.240 52.037 -0.223 0.000 0.757 245 A CB 1.086 19.957 19.000 -0.215 0.000 1.188 245 A HN 0.792 nan 8.150 nan 0.000 0.460 246 L N 4.523 125.709 121.223 -0.061 0.000 2.515 246 L HA 0.278 4.618 4.340 -0.000 0.000 0.281 246 L C 1.032 177.894 176.870 -0.014 0.000 1.131 246 L CA 0.560 55.381 54.840 -0.033 0.000 0.905 246 L CB 0.722 42.773 42.059 -0.014 0.000 1.246 246 L HN 0.775 nan 8.230 nan 0.000 0.463 247 V N 2.104 122.027 119.914 0.016 0.000 3.621 247 V HA 0.674 4.794 4.120 -0.000 0.000 0.285 247 V C 0.698 176.830 176.094 0.063 0.000 1.346 247 V CA 0.515 62.854 62.300 0.065 0.000 1.104 247 V CB -0.467 31.432 31.823 0.126 0.000 0.913 247 V HN 0.794 nan 8.190 nan 0.000 0.432 248 G N 0.206 108.936 108.800 -0.116 0.000 2.702 248 G HA2 0.593 4.553 3.960 -0.000 0.000 0.296 248 G HA3 0.593 4.553 3.960 -0.000 0.000 0.296 248 G C -2.332 171.920 174.900 -1.081 0.000 1.463 248 G CA -0.510 44.328 45.100 -0.437 0.000 0.890 248 G HN 0.408 nan 8.290 nan 0.000 0.534 249 L N 0.256 120.967 121.223 -0.853 0.000 2.493 249 L HA 0.863 5.203 4.340 -0.000 0.000 0.265 249 L C -0.882 175.793 176.870 -0.323 0.000 0.954 249 L CA -0.721 53.744 54.840 -0.624 0.000 0.844 249 L CB 2.240 44.139 42.059 -0.267 0.000 1.302 249 L HN 0.729 nan 8.230 nan 0.000 0.405 250 E N 4.511 124.588 120.200 -0.206 0.000 2.292 250 E HA 0.623 4.973 4.350 -0.000 0.000 0.272 250 E C -1.665 174.868 176.600 -0.112 0.000 0.881 250 E CA -0.569 55.850 56.400 0.033 0.000 0.754 250 E CB 1.781 31.705 29.700 0.374 0.000 1.201 250 E HN 0.659 nan 8.360 nan 0.000 0.425 251 I N 3.732 124.276 120.570 -0.043 0.000 2.410 251 I HA 0.232 4.402 4.170 -0.000 0.000 0.286 251 I C -0.483 175.685 176.117 0.084 0.000 1.009 251 I CA -0.824 60.428 61.300 -0.080 0.000 1.111 251 I CB 0.965 38.927 38.000 -0.062 0.000 1.262 251 I HN 0.545 nan 8.210 nan 0.000 0.443 252 W N 5.488 126.788 121.300 0.000 0.000 1.435 252 W HA 0.082 4.742 4.660 -0.000 0.000 0.471 252 W C 1.777 178.297 176.519 0.001 0.000 0.590 252 W CA -0.564 56.778 57.345 -0.004 0.000 2.419 252 W CB -0.959 28.498 29.460 -0.005 0.000 1.251 252 W HN 0.648 nan 8.180 nan 0.000 0.338 253 S N -0.962 114.741 115.700 0.005 0.000 2.447 253 S HA -0.215 4.255 4.470 -0.000 0.000 0.233 253 S C 1.468 175.992 174.600 -0.127 0.000 1.006 253 S CA 1.320 59.252 58.200 -0.447 0.000 0.957 253 S CB -0.088 62.471 63.200 -1.069 0.000 0.773 253 S HN 0.303 nan 8.310 nan 0.000 0.507 254 N N 0.457 119.144 118.700 -0.023 0.000 2.368 254 N HA 0.190 4.930 4.740 -0.000 0.000 0.176 254 N C 0.177 175.618 175.510 -0.115 0.000 1.021 254 N CA 1.068 54.103 53.050 -0.024 0.000 0.888 254 N CB 0.590 39.056 38.487 -0.035 0.000 0.995 254 N HN 0.472 nan 8.380 nan 0.000 0.437 255 T N -0.952 113.519 114.554 -0.139 0.000 3.041 255 T HA -0.012 4.338 4.350 -0.000 0.000 0.359 255 T C -2.234 172.313 174.700 -0.254 0.000 1.846 255 T CA -0.866 61.024 62.100 -0.349 0.000 1.066 255 T CB 0.068 68.740 68.868 -0.325 0.000 1.774 255 T HN -0.157 nan 8.240 nan 0.000 0.509 256 D N 2.306 122.556 120.400 -0.250 0.000 2.400 256 D HA 0.268 4.908 4.640 -0.000 0.000 0.238 256 D C 0.965 176.787 176.300 -0.797 0.000 1.157 256 D CA 0.005 53.770 54.000 -0.392 0.000 0.889 256 D CB 1.008 41.734 40.800 -0.124 0.000 1.199 256 D HN 0.457 nan 8.370 nan 0.000 0.436 257 K N 0.626 120.058 120.400 -1.613 0.000 2.374 257 K HA 0.213 4.533 4.320 -0.000 0.000 0.196 257 K C 0.488 176.578 176.600 -0.850 0.000 1.023 257 K CA 0.142 55.687 56.287 -1.237 0.000 1.103 257 K CB 0.271 31.841 32.500 -1.550 0.000 0.848 257 K HN 0.476 nan 8.250 nan 0.000 0.528 258 I N -3.241 116.911 120.570 -0.697 0.000 3.095 258 I HA 0.385 4.555 4.170 -0.000 0.000 0.310 258 I C -0.789 175.261 176.117 -0.111 0.000 1.196 258 I CA -1.217 59.933 61.300 -0.250 0.000 0.985 258 I CB 1.823 39.794 38.000 -0.048 0.000 1.250 258 I HN -0.232 nan 8.210 nan 0.000 0.446 259 I N 4.039 124.602 120.570 -0.011 0.000 2.270 259 I HA 0.149 4.319 4.170 -0.000 0.000 0.300 259 I C -0.152 176.013 176.117 0.080 0.000 1.186 259 I CA -0.469 60.844 61.300 0.021 0.000 1.431 259 I CB 0.476 38.493 38.000 0.028 0.000 1.485 259 I HN 0.290 nan 8.210 nan 0.000 0.650 260 V N 7.286 127.261 119.914 0.101 0.000 2.529 260 V HA 0.031 4.151 4.120 -0.000 0.000 0.292 260 V C 0.406 176.578 176.094 0.130 0.000 1.028 260 V CA 0.234 62.625 62.300 0.151 0.000 1.074 260 V CB 0.519 32.442 31.823 0.167 0.000 0.958 260 V HN 0.787 nan 8.190 nan 0.000 0.481 261 Q N 2.921 122.821 119.800 0.166 0.000 2.565 261 Q HA 0.474 4.814 4.340 -0.000 0.000 0.294 261 Q C 0.457 176.584 176.000 0.210 0.000 1.005 261 Q CA -0.736 55.153 55.803 0.143 0.000 0.771 261 Q CB 1.492 30.294 28.738 0.108 0.000 1.486 261 Q HN 0.299 nan 8.270 nan 0.000 0.422 262 S N 0.545 116.339 115.700 0.157 0.000 2.423 262 S HA -0.144 4.326 4.470 -0.000 0.000 0.238 262 S C 0.977 175.730 174.600 0.254 0.000 1.028 262 S CA 1.552 59.866 58.200 0.190 0.000 1.000 262 S CB -0.188 63.075 63.200 0.104 0.000 0.797 262 S HN 0.597 nan 8.310 nan 0.000 0.487 263 S N 0.871 116.670 115.700 0.164 0.000 2.422 263 S HA 0.529 4.999 4.470 -0.000 0.000 0.283 263 S C 1.078 175.684 174.600 0.010 0.000 1.163 263 S CA -0.185 58.065 58.200 0.083 0.000 1.054 263 S CB 0.976 64.206 63.200 0.051 0.000 0.967 263 S HN 0.333 nan 8.310 nan 0.000 0.499 264 A N 4.776 127.485 122.820 -0.185 0.000 1.933 264 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 264 A C 1.868 179.274 177.584 -0.296 0.000 1.175 264 A CA 1.643 53.328 52.037 -0.588 0.000 0.628 264 A CB -0.584 17.899 19.000 -0.862 0.000 0.814 264 A HN 0.913 nan 8.150 nan 0.000 0.444 265 D N -0.074 120.226 120.400 -0.166 0.000 2.104 265 D HA -0.131 4.509 4.640 -0.000 0.000 0.194 265 D C 2.039 178.328 176.300 -0.019 0.000 0.994 265 D CA 1.810 55.754 54.000 -0.094 0.000 0.830 265 D CB -0.272 40.496 40.800 -0.052 0.000 0.959 265 D HN 0.271 nan 8.370 nan 0.000 0.452 266 V N 1.420 121.341 119.914 0.012 0.000 2.358 266 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 266 V C 2.603 178.754 176.094 0.095 0.000 1.047 266 V CA 1.733 64.070 62.300 0.062 0.000 1.035 266 V CB -0.740 31.121 31.823 0.064 0.000 0.658 266 V HN 0.203 nan 8.190 nan 0.000 0.452 267 T N 0.573 115.175 114.554 0.080 0.000 2.746 267 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 267 T C 1.902 176.708 174.700 0.176 0.000 1.039 267 T CA 1.809 63.991 62.100 0.137 0.000 1.142 267 T CB -0.341 68.624 68.868 0.160 0.000 0.866 267 T HN 0.301 nan 8.240 nan 0.000 0.444 268 L N 1.727 123.001 121.223 0.085 0.000 1.994 268 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 268 L C 2.120 179.168 176.870 0.296 0.000 1.071 268 L CA 2.064 56.984 54.840 0.133 0.000 0.745 268 L CB -0.875 41.112 42.059 -0.120 0.000 0.892 268 L HN 0.166 nan 8.230 nan 0.000 0.431 269 D N -0.864 119.688 120.400 0.253 0.000 2.106 269 D HA -0.245 4.395 4.640 -0.000 0.000 0.191 269 D C 2.164 178.636 176.300 0.288 0.000 0.997 269 D CA 2.038 56.232 54.000 0.324 0.000 0.834 269 D CB -0.203 40.734 40.800 0.228 0.000 0.956 269 D HN 0.436 nan 8.370 nan 0.000 0.448 270 L N -0.744 120.633 121.223 0.257 0.000 2.046 270 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 270 L C 2.303 179.399 176.870 0.377 0.000 1.077 270 L CA 0.718 55.712 54.840 0.258 0.000 0.747 270 L CB -0.566 41.616 42.059 0.206 0.000 0.896 270 L HN 0.113 nan 8.230 nan 0.000 0.432 271 F N 1.047 121.161 119.950 0.273 0.000 2.102 271 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 271 F C 2.449 178.512 175.800 0.439 0.000 1.105 271 F CA 1.094 59.321 58.000 0.379 0.000 1.239 271 F CB -0.419 38.770 39.000 0.315 0.000 0.991 271 F HN -0.011 nan 8.300 nan 0.000 0.474 272 A N 0.345 123.348 122.820 0.306 0.000 1.877 272 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 272 A C 2.293 179.893 177.584 0.027 0.000 1.186 272 A CA 1.917 54.037 52.037 0.139 0.000 0.620 272 A CB -0.727 18.475 19.000 0.336 0.000 0.822 272 A HN 0.446 nan 8.150 nan 0.000 0.443 273 K N -1.787 118.674 120.400 0.103 0.000 2.032 273 K HA -0.233 4.087 4.320 -0.000 0.000 0.209 273 K C 1.829 178.465 176.600 0.060 0.000 1.048 273 K CA 1.755 58.072 56.287 0.050 0.000 0.927 273 K CB -0.329 32.229 32.500 0.097 0.000 0.712 273 K HN 0.746 nan 8.250 nan 0.000 0.441 274 W N 2.367 123.647 121.300 -0.033 0.000 2.363 274 W HA -0.159 4.501 4.660 0.000 0.000 0.296 274 W C 2.153 178.613 176.519 -0.097 0.000 1.212 274 W CA 1.385 58.711 57.345 -0.033 0.000 1.260 274 W CB -0.056 29.436 29.460 0.055 0.000 1.131 274 W HN -0.055 nan 8.180 nan 0.000 0.530 275 R N 0.448 120.795 120.500 -0.255 0.000 2.096 275 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 275 R C 2.174 178.227 176.300 -0.411 0.000 1.127 275 R CA 1.849 57.639 56.100 -0.516 0.000 0.968 275 R CB -0.642 29.444 30.300 -0.357 0.000 0.861 275 R HN 0.186 nan 8.270 nan 0.000 0.440 276 A N -0.066 122.585 122.820 -0.282 0.000 1.898 276 A HA -0.094 4.226 4.320 -0.000 0.000 0.214 276 A C 2.125 179.569 177.584 -0.233 0.000 1.183 276 A CA 1.659 53.551 52.037 -0.242 0.000 0.622 276 A CB -0.561 18.315 19.000 -0.206 0.000 0.824 276 A HN 0.601 nan 8.150 nan 0.000 0.444 277 T N -4.295 110.123 114.554 -0.227 0.000 3.057 277 T HA 0.049 4.399 4.350 -0.000 0.000 0.254 277 T C 1.291 175.847 174.700 -0.240 0.000 1.094 277 T CA 1.175 63.163 62.100 -0.187 0.000 1.088 277 T CB 0.218 69.020 68.868 -0.110 0.000 0.934 277 T HN 0.311 nan 8.240 nan 0.000 0.497 278 D N 0.320 120.467 120.400 -0.422 0.000 3.194 278 D HA 0.158 4.798 4.640 -0.000 0.000 0.290 278 D C 1.785 177.763 176.300 -0.537 0.000 1.280 278 D CA -0.014 53.702 54.000 -0.473 0.000 1.058 278 D CB -0.235 40.202 40.800 -0.605 0.000 1.241 278 D HN 0.189 nan 8.370 nan 0.000 0.421 279 L N 1.264 121.960 121.223 -0.877 0.000 2.005 279 L HA 0.082 4.422 4.340 -0.000 0.000 0.207 279 L C 2.240 178.885 176.870 -0.375 0.000 1.072 279 L CA 1.455 55.874 54.840 -0.702 0.000 0.744 279 L CB -0.781 40.677 42.059 -1.002 0.000 0.895 279 L HN 0.123 nan 8.230 nan 0.000 0.433 280 L N -0.438 120.604 121.223 -0.302 0.000 2.549 280 L HA -0.135 4.205 4.340 -0.000 0.000 0.230 280 L C 2.220 178.989 176.870 -0.169 0.000 1.162 280 L CA 1.055 55.773 54.840 -0.203 0.000 0.834 280 L CB -0.566 41.348 42.059 -0.243 0.000 0.947 280 L HN 0.534 nan 8.230 nan 0.000 0.452 281 S N -0.374 115.217 115.700 -0.182 0.000 2.524 281 S HA -0.023 4.447 4.470 -0.000 0.000 0.216 281 S C 1.617 176.161 174.600 -0.093 0.000 0.987 281 S CA -0.209 57.914 58.200 -0.127 0.000 0.909 281 S CB 0.103 63.226 63.200 -0.128 0.000 0.781 281 S HN 0.629 nan 8.310 nan 0.000 0.521 282 R N -0.587 119.853 120.500 -0.101 0.000 2.541 282 R HA 0.449 4.789 4.340 -0.000 0.000 0.332 282 R C -0.325 175.958 176.300 -0.028 0.000 0.951 282 R CA -0.494 55.574 56.100 -0.054 0.000 1.136 282 R CB 0.365 30.639 30.300 -0.043 0.000 1.449 282 R HN 0.033 nan 8.270 nan 0.000 0.531 283 K N 1.579 121.952 120.400 -0.045 0.000 2.651 283 K HA 0.183 4.503 4.320 -0.000 0.000 0.259 283 K C -1.608 175.052 176.600 0.101 0.000 1.017 283 K CA -0.160 56.141 56.287 0.023 0.000 0.897 283 K CB 2.203 34.690 32.500 -0.022 0.000 1.262 283 K HN 0.064 nan 8.250 nan 0.000 0.460 284 S N 3.971 119.726 115.700 0.092 0.000 2.549 284 S HA 0.384 4.854 4.470 -0.000 0.000 0.279 284 S C -0.556 174.151 174.600 0.178 0.000 1.321 284 S CA -0.054 58.183 58.200 0.061 0.000 1.054 284 S CB 0.098 63.313 63.200 0.025 0.000 0.899 284 S HN 0.691 nan 8.310 nan 0.000 0.497 285 H N 1.989 121.063 119.070 0.007 0.000 3.060 285 H HA 0.299 4.855 4.556 -0.000 0.000 0.330 285 H C -1.036 174.317 175.328 0.041 0.000 1.305 285 H CA -0.738 55.345 56.048 0.058 0.000 1.209 285 H CB 0.135 29.972 29.762 0.125 0.000 1.913 285 H HN 0.481 nan 8.280 nan 0.000 0.534 286 D N 0.387 120.829 120.400 0.070 0.000 2.249 286 D HA -0.012 4.628 4.640 -0.000 0.000 0.205 286 D C 0.249 176.593 176.300 0.072 0.000 0.962 286 D CA 0.821 54.837 54.000 0.025 0.000 0.860 286 D CB 0.802 41.650 40.800 0.079 0.000 0.955 286 D HN 0.519 nan 8.370 nan 0.000 0.505 287 N N -0.392 118.451 118.700 0.238 0.000 2.446 287 N HA 0.382 5.122 4.740 -0.000 0.000 0.272 287 N C -2.032 173.735 175.510 0.429 0.000 1.127 287 N CA -0.301 52.914 53.050 0.274 0.000 0.896 287 N CB 2.383 40.970 38.487 0.166 0.000 1.658 287 N HN -0.109 nan 8.380 nan 0.000 0.483 288 A N 2.173 125.237 122.820 0.405 0.000 2.371 288 A HA 0.641 4.961 4.320 -0.000 0.000 0.311 288 A C -1.192 176.711 177.584 0.531 0.000 1.068 288 A CA -0.533 51.775 52.037 0.451 0.000 0.744 288 A CB 1.662 20.902 19.000 0.399 0.000 1.239 288 A HN 0.548 nan 8.150 nan 0.000 0.435 289 Q N 0.897 120.966 119.800 0.449 0.000 2.356 289 Q HA 0.442 4.782 4.340 -0.000 0.000 0.270 289 Q C -1.663 174.387 176.000 0.084 0.000 1.058 289 Q CA -0.750 55.228 55.803 0.292 0.000 0.802 289 Q CB 2.478 31.314 28.738 0.164 0.000 1.303 289 Q HN 0.668 nan 8.270 nan 0.000 0.444 290 L N 3.485 124.537 121.223 -0.284 0.000 2.265 290 L HA 0.400 4.740 4.340 -0.000 0.000 0.289 290 L C -1.289 175.418 176.870 -0.272 0.000 1.033 290 L CA -0.594 53.889 54.840 -0.595 0.000 0.814 290 L CB 0.848 42.145 42.059 -1.270 0.000 1.203 290 L HN 0.514 nan 8.230 nan 0.000 0.423 291 L N 5.448 126.534 121.223 -0.228 0.000 2.264 291 L HA 0.556 4.896 4.340 -0.000 0.000 0.287 291 L C -0.089 176.694 176.870 -0.146 0.000 1.039 291 L CA 0.410 55.170 54.840 -0.134 0.000 0.829 291 L CB 1.028 43.014 42.059 -0.121 0.000 1.211 291 L HN 0.788 nan 8.230 nan 0.000 0.427 292 T N 1.986 116.477 114.554 -0.105 0.000 2.918 292 T HA 0.588 4.938 4.350 -0.000 0.000 0.286 292 T C 0.971 175.596 174.700 -0.124 0.000 1.026 292 T CA -0.059 61.977 62.100 -0.107 0.000 1.031 292 T CB 1.548 70.355 68.868 -0.103 0.000 1.046 292 T HN 0.664 nan 8.240 nan 0.000 0.479 293 G N 3.008 111.751 108.800 -0.094 0.000 3.042 293 G HA2 0.207 4.167 3.960 -0.000 0.000 0.212 293 G HA3 0.207 4.167 3.960 -0.000 0.000 0.212 293 G C 0.673 175.479 174.900 -0.156 0.000 1.166 293 G CA -0.264 44.777 45.100 -0.099 0.000 0.767 293 G HN 0.758 nan 8.290 nan 0.000 0.546 294 I N 0.226 120.669 120.570 -0.211 0.000 3.138 294 I HA 0.186 4.356 4.170 -0.000 0.000 0.288 294 I C -0.211 175.672 176.117 -0.391 0.000 1.148 294 I CA -0.642 60.511 61.300 -0.245 0.000 1.315 294 I CB 1.043 38.916 38.000 -0.212 0.000 1.426 294 I HN 0.053 nan 8.210 nan 0.000 0.615 295 N N 3.071 121.600 118.700 -0.286 0.000 2.417 295 N HA 0.329 5.069 4.740 -0.000 0.000 0.274 295 N C -1.345 174.060 175.510 -0.175 0.000 0.987 295 N CA -0.431 52.473 53.050 -0.244 0.000 0.912 295 N CB 0.567 38.993 38.487 -0.102 0.000 1.177 295 N HN 0.203 nan 8.380 nan 0.000 0.490 296 F N 1.592 121.544 119.950 0.003 0.000 2.429 296 F HA 0.303 4.830 4.527 -0.000 0.000 0.348 296 F C 1.138 176.935 175.800 -0.004 0.000 1.109 296 F CA -0.640 57.360 58.000 0.000 0.000 1.232 296 F CB 0.276 39.274 39.000 -0.003 0.000 1.157 296 F HN 0.375 nan 8.300 nan 0.000 0.564 297 N N 1.605 120.432 118.700 0.210 0.000 2.441 297 N HA 0.351 5.091 4.740 -0.000 0.000 0.251 297 N C 0.517 176.079 175.510 0.087 0.000 1.242 297 N CA 0.980 54.094 53.050 0.106 0.000 0.898 297 N CB 0.557 39.090 38.487 0.076 0.000 1.100 297 N HN 0.893 nan 8.380 nan 0.000 0.443 298 G N 1.815 110.646 108.800 0.052 0.000 2.795 298 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.664 298 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.664 298 G C -1.738 173.181 174.900 0.031 0.000 1.381 298 G CA -0.375 44.745 45.100 0.033 0.000 0.853 298 G HN 0.475 nan 8.290 nan 0.000 0.545 299 P HA 0.079 nan 4.420 nan 0.000 0.236 299 P C 1.197 178.481 177.300 -0.026 0.000 1.177 299 P CA 1.357 64.448 63.100 -0.015 0.000 0.773 299 P CB -0.255 31.427 31.700 -0.030 0.000 0.878 300 T N -1.824 112.730 114.554 -0.000 0.000 2.926 300 T HA 0.395 4.745 4.350 -0.000 0.000 0.307 300 T C 0.946 175.681 174.700 0.058 0.000 1.059 300 T CA -0.147 61.951 62.100 -0.005 0.000 1.122 300 T CB 1.169 70.034 68.868 -0.005 0.000 0.972 300 T HN 0.044 nan 8.240 nan 0.000 0.545 301 A N 1.521 124.353 122.820 0.019 0.000 2.564 301 A HA 0.753 5.073 4.320 -0.000 0.000 0.279 301 A C 0.830 178.552 177.584 0.231 0.000 1.232 301 A CA 0.034 52.139 52.037 0.115 0.000 0.950 301 A CB -0.190 18.708 19.000 -0.169 0.000 1.138 301 A HN 1.527 nan 8.150 nan 0.000 0.526 302 G N -1.238 107.642 108.800 0.135 0.000 2.356 302 G HA2 0.530 4.490 3.960 -0.000 0.000 0.294 302 G HA3 0.530 4.490 3.960 -0.000 0.000 0.294 302 G C -2.235 172.641 174.900 -0.040 0.000 1.423 302 G CA -0.407 44.746 45.100 0.087 0.000 0.806 302 G HN 0.778 nan 8.290 nan 0.000 0.527 303 L N -0.522 120.665 121.223 -0.061 0.000 2.545 303 L HA 0.880 5.220 4.340 -0.000 0.000 0.258 303 L C -0.126 176.688 176.870 -0.093 0.000 0.942 303 L CA 0.543 55.310 54.840 -0.122 0.000 0.855 303 L CB 2.237 44.136 42.059 -0.266 0.000 1.374 303 L HN 1.668 nan 8.230 nan 0.000 0.411 304 G N 1.495 110.211 108.800 -0.140 0.000 2.742 304 G HA2 0.459 4.419 3.960 -0.000 0.000 0.296 304 G HA3 0.459 4.419 3.960 -0.000 0.000 0.296 304 G C -2.051 172.732 174.900 -0.195 0.000 1.436 304 G CA -0.537 44.500 45.100 -0.105 0.000 0.928 304 G HN 0.325 nan 8.290 nan 0.000 0.520 305 Y N 0.434 120.764 120.300 0.050 0.000 2.526 305 Y HA 0.272 4.822 4.550 -0.000 0.000 0.330 305 Y C 0.872 176.748 175.900 -0.039 0.000 1.156 305 Y CA -0.316 57.775 58.100 -0.016 0.000 1.419 305 Y CB 1.280 39.770 38.460 0.050 0.000 1.250 305 Y HN 0.429 nan 8.280 nan 0.000 0.540 306 L N 3.839 125.085 121.223 0.037 0.000 2.433 306 L HA 0.391 4.731 4.340 -0.000 0.000 0.275 306 L C 0.986 177.843 176.870 -0.021 0.000 1.128 306 L CA 0.512 55.343 54.840 -0.015 0.000 0.875 306 L CB -0.172 41.850 42.059 -0.062 0.000 1.171 306 L HN 0.859 nan 8.230 nan 0.000 0.463 307 G N 3.222 111.946 108.800 -0.126 0.000 2.176 307 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.252 307 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.252 307 G C 0.733 175.686 174.900 0.088 0.000 1.024 307 G CA 0.297 45.267 45.100 -0.217 0.000 0.755 307 G HN 1.260 nan 8.290 nan 0.000 0.507 308 G N -0.624 108.246 108.800 0.116 0.000 2.985 308 G HA2 0.358 4.318 3.960 -0.000 0.000 0.209 308 G HA3 0.358 4.318 3.960 -0.000 0.000 0.209 308 G C 0.779 175.797 174.900 0.198 0.000 1.165 308 G CA 0.259 45.486 45.100 0.212 0.000 0.776 308 G HN 0.867 nan 8.290 nan 0.000 0.541 309 I N 0.469 121.141 120.570 0.170 0.000 2.906 309 I HA 0.003 4.173 4.170 -0.000 0.000 0.301 309 I C 1.333 177.552 176.117 0.170 0.000 1.221 309 I CA 0.231 61.633 61.300 0.169 0.000 1.435 309 I CB 0.055 38.165 38.000 0.184 0.000 1.345 309 I HN 0.308 nan 8.210 nan 0.000 0.558 310 c N 2.981 121.649 118.600 0.113 0.000 5.809 310 c HA -0.239 4.331 4.570 -0.000 0.000 0.315 310 c C 1.127 175.234 174.090 0.028 0.000 2.330 310 c CA 0.508 56.876 56.329 0.065 0.000 2.087 310 c CB -2.942 39.619 42.510 0.086 0.000 3.097 310 c HN 0.962 nan 8.230 nan 0.000 0.339 311 N N 1.120 119.858 118.700 0.063 0.000 2.458 311 N HA 0.038 4.778 4.740 -0.000 0.000 0.258 311 N C 0.978 176.452 175.510 -0.059 0.000 1.219 311 N CA 1.022 54.088 53.050 0.026 0.000 0.902 311 N CB 1.059 39.611 38.487 0.109 0.000 1.076 311 N HN 0.533 nan 8.380 nan 0.000 0.455 312 T N 3.108 117.595 114.554 -0.112 0.000 2.977 312 T HA -0.096 4.254 4.350 -0.000 0.000 0.271 312 T C 1.533 176.089 174.700 -0.241 0.000 1.105 312 T CA 1.270 63.268 62.100 -0.170 0.000 1.116 312 T CB -0.020 68.755 68.868 -0.156 0.000 0.878 312 T HN 0.696 nan 8.240 nan 0.000 0.509 313 M N -2.611 116.780 119.600 -0.349 0.000 2.289 313 M HA 0.369 4.849 4.480 -0.000 0.000 0.335 313 M C 0.254 176.081 176.300 -0.789 0.000 0.961 313 M CA 0.167 55.115 55.300 -0.586 0.000 1.018 313 M CB 0.671 32.803 32.600 -0.782 0.000 1.678 313 M HN 0.032 nan 8.290 nan 0.000 0.589 314 Y N 0.167 120.369 120.300 -0.165 0.000 2.610 314 Y HA 0.377 4.927 4.550 -0.000 0.000 0.254 314 Y C 1.193 177.155 175.900 0.103 0.000 1.110 314 Y CA -0.833 57.146 58.100 -0.203 0.000 1.238 314 Y CB 0.699 38.964 38.460 -0.325 0.000 1.322 314 Y HN 0.153 nan 8.280 nan 0.000 0.547 315 S N 1.724 117.536 115.700 0.187 0.000 4.120 315 S HA 0.664 5.134 4.470 -0.000 0.000 0.215 315 S C -0.019 174.732 174.600 0.252 0.000 1.347 315 S CA 0.153 58.472 58.200 0.199 0.000 0.889 315 S CB -1.096 62.170 63.200 0.109 0.000 1.585 315 S HN 0.318 nan 8.310 nan 0.000 0.447 316 A N 1.796 124.838 122.820 0.369 0.000 2.606 316 A HA 0.892 5.212 4.320 -0.000 0.000 0.293 316 A C -0.160 177.651 177.584 0.379 0.000 1.082 316 A CA -0.416 51.872 52.037 0.418 0.000 0.685 316 A CB 1.431 20.706 19.000 0.457 0.000 1.284 316 A HN 0.796 nan 8.150 nan 0.000 0.408 317 G N -0.209 108.818 108.800 0.378 0.000 2.718 317 G HA2 0.692 4.652 3.960 -0.000 0.000 0.295 317 G HA3 0.692 4.652 3.960 -0.000 0.000 0.295 317 G C -0.971 174.033 174.900 0.173 0.000 1.421 317 G CA -0.174 45.061 45.100 0.225 0.000 0.902 317 G HN 1.564 nan 8.290 nan 0.000 0.501 318 I N -1.271 119.341 120.570 0.071 0.000 2.646 318 I HA 0.888 5.058 4.170 -0.000 0.000 0.299 318 I C -1.044 175.141 176.117 0.114 0.000 1.036 318 I CA -1.355 59.953 61.300 0.014 0.000 1.074 318 I CB 2.334 40.329 38.000 -0.008 0.000 1.258 318 I HN 0.266 nan 8.210 nan 0.000 0.430 319 V N 4.047 124.051 119.914 0.151 0.000 2.841 319 V HA 0.388 4.508 4.120 -0.000 0.000 0.310 319 V C -0.429 175.790 176.094 0.209 0.000 1.090 319 V CA -0.537 61.887 62.300 0.206 0.000 0.930 319 V CB 1.756 33.657 31.823 0.130 0.000 1.014 319 V HN 0.905 nan 8.190 nan 0.000 0.425 320 Q N 1.490 121.439 119.800 0.249 0.000 2.243 320 Q HA 0.286 4.626 4.340 -0.000 0.000 0.252 320 Q C -0.481 175.556 176.000 0.062 0.000 0.909 320 Q CA -0.465 55.360 55.803 0.038 0.000 0.922 320 Q CB 1.249 29.974 28.738 -0.021 0.000 1.215 320 Q HN 0.821 nan 8.270 nan 0.000 0.427 321 D N 1.728 122.109 120.400 -0.032 0.000 2.801 321 D HA 0.010 4.650 4.640 -0.000 0.000 0.232 321 D C 0.781 177.026 176.300 -0.092 0.000 1.128 321 D CA 0.048 54.013 54.000 -0.058 0.000 1.003 321 D CB -0.153 40.640 40.800 -0.011 0.000 1.110 321 D HN 0.662 nan 8.370 nan 0.000 0.477 322 H N -0.918 118.121 119.070 -0.051 0.000 2.521 322 H HA 0.074 4.630 4.556 -0.000 0.000 0.286 322 H C 0.305 175.597 175.328 -0.062 0.000 1.034 322 H CA 0.485 56.496 56.048 -0.061 0.000 1.278 322 H CB 0.105 29.837 29.762 -0.050 0.000 1.386 322 H HN 0.068 nan 8.280 nan 0.000 0.567 323 S N -1.178 114.247 115.700 -0.457 0.000 2.569 323 S HA 0.263 4.733 4.470 -0.000 0.000 0.280 323 S C 0.611 175.096 174.600 -0.193 0.000 1.111 323 S CA -0.937 57.104 58.200 -0.265 0.000 0.887 323 S CB 1.928 64.944 63.200 -0.306 0.000 1.095 323 S HN 0.346 nan 8.310 nan 0.000 0.476 324 K N 2.141 122.472 120.400 -0.116 0.000 2.148 324 K HA 0.187 4.507 4.320 -0.000 0.000 0.204 324 K C 0.228 176.795 176.600 -0.055 0.000 1.050 324 K CA 0.820 57.070 56.287 -0.063 0.000 0.942 324 K CB -0.190 32.280 32.500 -0.050 0.000 0.724 324 K HN 0.717 nan 8.250 nan 0.000 0.446 325 I N 2.658 123.148 120.570 -0.132 0.000 2.483 325 I HA -0.044 4.126 4.170 -0.000 0.000 0.291 325 I C 1.098 177.064 176.117 -0.251 0.000 1.112 325 I CA -0.146 61.033 61.300 -0.202 0.000 1.350 325 I CB 0.613 38.429 38.000 -0.307 0.000 1.419 325 I HN 0.340 nan 8.210 nan 0.000 0.523 326 H N 4.553 123.569 119.070 -0.090 0.000 2.456 326 H HA -0.244 4.312 4.556 -0.000 0.000 0.296 326 H C 1.951 177.263 175.328 -0.027 0.000 1.079 326 H CA 2.039 58.049 56.048 -0.062 0.000 1.322 326 H CB -0.557 29.201 29.762 -0.007 0.000 1.388 326 H HN 0.777 nan 8.280 nan 0.000 0.538 327 H N -0.152 118.704 119.070 -0.358 0.000 2.495 327 H HA 0.045 4.601 4.556 0.000 0.000 0.287 327 H C 1.717 176.997 175.328 -0.080 0.000 1.033 327 H CA 1.241 57.238 56.048 -0.084 0.000 1.307 327 H CB -0.459 29.292 29.762 -0.018 0.000 1.401 327 H HN 0.444 nan 8.280 nan 0.000 0.555 328 L N -0.009 120.897 121.223 -0.528 0.000 2.341 328 L HA 0.013 4.353 4.340 -0.000 0.000 0.214 328 L C 1.966 178.752 176.870 -0.140 0.000 1.115 328 L CA 0.288 54.924 54.840 -0.340 0.000 0.820 328 L CB 0.074 41.910 42.059 -0.371 0.000 0.944 328 L HN 0.251 nan 8.230 nan 0.000 0.452 329 V N -0.169 119.638 119.914 -0.178 0.000 2.591 329 V HA -0.113 4.007 4.120 -0.000 0.000 0.249 329 V C 2.676 178.787 176.094 0.028 0.000 1.053 329 V CA 1.432 63.665 62.300 -0.112 0.000 1.068 329 V CB -0.424 31.317 31.823 -0.137 0.000 0.689 329 V HN 0.413 nan 8.190 nan 0.000 0.462 330 A N 0.341 123.197 122.820 0.059 0.000 1.877 330 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 330 A C 2.175 179.815 177.584 0.093 0.000 1.186 330 A CA 1.821 53.926 52.037 0.113 0.000 0.620 330 A CB -0.522 18.591 19.000 0.189 0.000 0.822 330 A HN 0.478 nan 8.150 nan 0.000 0.443 331 I N -0.202 120.386 120.570 0.030 0.000 2.208 331 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 331 I C 2.974 179.115 176.117 0.039 0.000 1.097 331 I CA 1.093 62.371 61.300 -0.036 0.000 1.363 331 I CB -0.361 37.540 38.000 -0.165 0.000 1.051 331 I HN 0.374 nan 8.210 nan 0.000 0.413 332 A N 0.380 123.245 122.820 0.076 0.000 1.902 332 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 332 A C 2.399 180.084 177.584 0.170 0.000 1.181 332 A CA 1.921 54.024 52.037 0.109 0.000 0.623 332 A CB -0.632 18.482 19.000 0.191 0.000 0.818 332 A HN 0.459 nan 8.150 nan 0.000 0.443 333 M N -0.517 119.176 119.600 0.154 0.000 2.175 333 M HA -0.073 4.407 4.480 -0.000 0.000 0.264 333 M C 2.214 178.641 176.300 0.212 0.000 1.063 333 M CA 1.520 56.920 55.300 0.166 0.000 1.119 333 M CB -0.191 32.486 32.600 0.128 0.000 1.377 333 M HN 0.414 nan 8.290 nan 0.000 0.415 334 A N -0.993 121.961 122.820 0.224 0.000 1.972 334 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 334 A C 1.777 179.548 177.584 0.312 0.000 1.169 334 A CA 2.077 54.312 52.037 0.330 0.000 0.635 334 A CB -1.161 17.955 19.000 0.194 0.000 0.810 334 A HN 0.777 nan 8.150 nan 0.000 0.446 335 H N -0.279 118.858 119.070 0.112 0.000 2.321 335 H HA -0.102 4.454 4.556 0.000 0.000 0.300 335 H C 1.937 177.319 175.328 0.090 0.000 1.087 335 H CA 1.919 58.005 56.048 0.063 0.000 1.319 335 H CB 0.117 29.893 29.762 0.023 0.000 1.379 335 H HN 0.360 nan 8.280 nan 0.000 0.501 336 E N 0.299 120.674 120.200 0.291 0.000 2.072 336 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 336 E C 2.329 179.043 176.600 0.190 0.000 0.985 336 E CA 1.119 57.686 56.400 0.278 0.000 0.801 336 E CB -0.268 29.584 29.700 0.253 0.000 0.750 336 E HN 0.635 nan 8.360 nan 0.000 0.452 337 M N 0.009 119.720 119.600 0.185 0.000 2.279 337 M HA -0.057 4.423 4.480 -0.000 0.000 0.264 337 M C 2.212 178.588 176.300 0.127 0.000 1.062 337 M CA 1.389 56.770 55.300 0.135 0.000 1.099 337 M CB -0.409 32.245 32.600 0.090 0.000 1.394 337 M HN 0.123 nan 8.290 nan 0.000 0.426 338 G N -0.217 108.673 108.800 0.150 0.000 2.433 338 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 338 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 338 G C 1.268 176.101 174.900 -0.112 0.000 1.186 338 G CA 0.831 45.946 45.100 0.025 0.000 0.779 338 G HN 0.408 nan 8.290 nan 0.000 0.543 339 H N 0.729 119.754 119.070 -0.076 0.000 2.319 339 H HA -0.059 4.497 4.556 0.000 0.000 0.299 339 H C 2.624 177.884 175.328 -0.115 0.000 1.092 339 H CA 1.437 57.418 56.048 -0.112 0.000 1.302 339 H CB -0.593 29.112 29.762 -0.095 0.000 1.373 339 H HN 0.432 nan 8.280 nan 0.000 0.497 340 N N 0.508 119.259 118.700 0.085 0.000 2.192 340 N HA -0.144 4.596 4.740 -0.000 0.000 0.188 340 N C 1.115 176.560 175.510 -0.108 0.000 1.013 340 N CA 0.523 53.597 53.050 0.040 0.000 0.863 340 N CB -0.089 38.453 38.487 0.093 0.000 0.990 340 N HN 0.178 nan 8.380 nan 0.000 0.430 341 L N -0.155 120.988 121.223 -0.134 0.000 2.645 341 L HA 0.211 4.551 4.340 -0.000 0.000 0.234 341 L C 1.176 177.755 176.870 -0.484 0.000 1.165 341 L CA -0.119 54.608 54.840 -0.188 0.000 0.944 341 L CB 0.047 42.094 42.059 -0.020 0.000 1.149 341 L HN 0.222 nan 8.230 nan 0.000 0.446 342 G N -0.401 107.990 108.800 -0.682 0.000 2.157 342 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.248 342 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.248 342 G C 0.248 175.032 174.900 -0.194 0.000 0.979 342 G CA -0.124 44.562 45.100 -0.688 0.000 0.650 342 G HN 0.286 nan 8.290 nan 0.000 0.529 343 M N 0.998 120.520 119.600 -0.130 0.000 2.277 343 M HA 0.425 4.905 4.480 -0.000 0.000 0.350 343 M C -0.007 176.272 176.300 -0.035 0.000 1.180 343 M CA -0.454 54.802 55.300 -0.073 0.000 1.103 343 M CB 0.827 33.353 32.600 -0.125 0.000 1.577 343 M HN 0.051 nan 8.290 nan 0.000 0.459 344 D N -0.088 120.318 120.400 0.009 0.000 2.549 344 D HA 0.304 4.944 4.640 -0.000 0.000 0.270 344 D C -0.594 175.766 176.300 0.100 0.000 1.181 344 D CA -0.384 53.645 54.000 0.049 0.000 1.070 344 D CB 0.644 41.470 40.800 0.043 0.000 1.154 344 D HN 0.572 nan 8.370 nan 0.000 0.602 345 H N 0.204 119.331 119.070 0.095 0.000 2.629 345 H HA 0.078 4.634 4.556 -0.000 0.000 0.357 345 H C -0.235 175.131 175.328 0.063 0.000 1.121 345 H CA -0.659 55.444 56.048 0.091 0.000 1.406 345 H CB 0.826 30.676 29.762 0.147 0.000 1.456 345 H HN 0.130 nan 8.280 nan 0.000 0.579 346 D N 2.656 123.160 120.400 0.173 0.000 2.424 346 D HA 0.009 4.649 4.640 -0.000 0.000 0.244 346 D C 0.153 176.509 176.300 0.093 0.000 1.134 346 D CA 0.201 54.262 54.000 0.102 0.000 0.881 346 D CB 0.936 41.775 40.800 0.064 0.000 1.191 346 D HN 0.501 nan 8.370 nan 0.000 0.445 347 K N 0.235 120.679 120.400 0.073 0.000 2.156 347 K HA 0.251 4.571 4.320 -0.000 0.000 0.254 347 K C 0.475 177.100 176.600 0.041 0.000 0.950 347 K CA -0.700 55.623 56.287 0.060 0.000 0.849 347 K CB 1.687 34.221 32.500 0.057 0.000 1.100 347 K HN 0.113 nan 8.250 nan 0.000 0.434 348 D N 0.986 121.406 120.400 0.033 0.000 5.834 348 D HA -0.421 4.219 4.640 -0.000 0.000 0.205 348 D C 1.183 177.495 176.300 0.021 0.000 1.697 348 D CA 2.974 56.988 54.000 0.023 0.000 0.814 348 D CB -1.077 39.735 40.800 0.020 0.000 0.832 348 D HN 0.800 nan 8.370 nan 0.000 0.753 349 T N -3.873 110.695 114.554 0.024 0.000 3.086 349 T HA 0.298 4.648 4.350 -0.000 0.000 0.250 349 T C 0.797 175.512 174.700 0.026 0.000 1.074 349 T CA -0.247 61.867 62.100 0.022 0.000 0.988 349 T CB -0.656 68.225 68.868 0.022 0.000 0.988 349 T HN 0.333 nan 8.240 nan 0.000 0.530 350 c N 1.983 120.601 118.600 0.031 0.000 2.605 350 c HA 0.763 5.333 4.570 -0.000 0.000 0.404 350 c C 0.785 174.893 174.090 0.029 0.000 1.284 350 c CA -0.464 55.886 56.329 0.035 0.000 2.199 350 c CB 0.443 42.981 42.510 0.046 0.000 2.647 350 c HN 0.601 nan 8.230 nan 0.000 0.604 351 T N -0.285 114.287 114.554 0.031 0.000 2.868 351 T HA 0.541 4.891 4.350 -0.000 0.000 0.306 351 T C 0.104 174.821 174.700 0.029 0.000 1.224 351 T CA -0.273 61.842 62.100 0.024 0.000 1.012 351 T CB 1.081 69.961 68.868 0.019 0.000 1.221 351 T HN 1.008 nan 8.240 nan 0.000 0.499 352 c N 0.454 119.067 118.600 0.021 0.000 4.095 352 c HA 0.826 5.396 4.570 -0.000 0.000 0.327 352 c C 1.031 175.130 174.090 0.015 0.000 1.811 352 c CA 0.331 56.674 56.329 0.023 0.000 1.785 352 c CB -0.637 41.884 42.510 0.018 0.000 3.120 352 c HN 1.346 nan 8.230 nan 0.000 0.621 353 G N 1.449 110.255 108.800 0.011 0.000 2.356 353 G HA2 0.318 4.278 3.960 -0.000 0.000 0.266 353 G HA3 0.318 4.278 3.960 -0.000 0.000 0.266 353 G C 0.356 175.259 174.900 0.004 0.000 1.312 353 G CA 0.681 45.786 45.100 0.009 0.000 0.922 353 G HN 0.698 nan 8.290 nan 0.000 0.480 354 T N -1.334 113.222 114.554 0.003 0.000 3.113 354 T HA 0.323 4.673 4.350 -0.000 0.000 0.256 354 T C 1.006 175.703 174.700 -0.005 0.000 1.131 354 T CA 0.808 62.908 62.100 0.000 0.000 1.074 354 T CB 0.009 68.878 68.868 0.002 0.000 0.944 354 T HN 0.524 nan 8.240 nan 0.000 0.516 355 R N 1.233 121.729 120.500 -0.007 0.000 2.873 355 R HA 0.543 4.883 4.340 -0.000 0.000 0.264 355 R C -2.926 173.357 176.300 -0.030 0.000 1.026 355 R CA -2.490 53.599 56.100 -0.018 0.000 1.002 355 R CB 0.634 30.924 30.300 -0.016 0.000 1.174 355 R HN 0.090 nan 8.270 nan 0.000 0.488 356 P HA 0.029 nan 4.420 nan 0.000 0.269 356 P C -0.651 176.602 177.300 -0.078 0.000 1.215 356 P CA -0.181 62.885 63.100 -0.058 0.000 0.780 356 P CB 0.496 32.153 31.700 -0.072 0.000 0.898 357 c N 0.933 119.491 118.600 -0.070 0.000 2.349 357 c HA 0.192 4.762 4.570 -0.000 0.000 0.361 357 c C 2.319 176.330 174.090 -0.133 0.000 1.189 357 c CA -0.579 55.689 56.329 -0.101 0.000 2.155 357 c CB 0.766 43.251 42.510 -0.042 0.000 2.336 357 c HN 0.460 nan 8.230 nan 0.000 0.540 358 V N 1.289 121.047 119.914 -0.261 0.000 2.313 358 V HA -0.254 3.866 4.120 -0.000 0.000 0.253 358 V C 1.899 178.007 176.094 0.024 0.000 1.070 358 V CA 1.962 64.103 62.300 -0.264 0.000 1.057 358 V CB -0.444 30.943 31.823 -0.726 0.000 0.653 358 V HN 0.813 nan 8.190 nan 0.000 0.450 359 M N -0.073 119.564 119.600 0.061 0.000 2.608 359 M HA 0.319 4.799 4.480 -0.000 0.000 0.224 359 M C 0.722 177.093 176.300 0.118 0.000 1.204 359 M CA -0.653 54.715 55.300 0.114 0.000 0.984 359 M CB -1.494 31.152 32.600 0.078 0.000 1.691 359 M HN 0.325 nan 8.290 nan 0.000 0.469 360 A N -0.095 122.750 122.820 0.041 0.000 2.445 360 A HA 0.482 4.802 4.320 -0.000 0.000 0.242 360 A C 1.569 179.028 177.584 -0.208 0.000 1.075 360 A CA 0.398 52.399 52.037 -0.060 0.000 0.777 360 A CB -0.014 18.930 19.000 -0.093 0.000 1.013 360 A HN 0.591 nan 8.150 nan 0.000 0.493 361 G N 0.684 109.306 108.800 -0.296 0.000 2.443 361 G HA2 0.319 4.279 3.960 -0.000 0.000 0.219 361 G HA3 0.319 4.279 3.960 -0.000 0.000 0.219 361 G C 0.640 175.303 174.900 -0.395 0.000 1.131 361 G CA 1.362 46.112 45.100 -0.583 0.000 0.775 361 G HN 1.413 nan 8.290 nan 0.000 0.547 362 A N -1.178 121.488 122.820 -0.257 0.000 2.486 362 A HA 0.766 5.086 4.320 -0.000 0.000 0.289 362 A C -0.359 177.092 177.584 -0.222 0.000 1.176 362 A CA -0.746 51.164 52.037 -0.212 0.000 0.757 362 A CB 0.919 19.841 19.000 -0.130 0.000 1.337 362 A HN 0.118 nan 8.150 nan 0.000 0.423 363 L N 0.923 122.019 121.223 -0.211 0.000 2.476 363 L HA 0.558 4.898 4.340 -0.000 0.000 0.255 363 L C 0.551 177.335 176.870 -0.143 0.000 1.218 363 L CA 0.566 55.280 54.840 -0.209 0.000 0.819 363 L CB 1.054 42.962 42.059 -0.252 0.000 1.119 363 L HN 1.085 nan 8.230 nan 0.000 0.485 364 S N -1.920 113.707 115.700 -0.120 0.000 2.751 364 S HA 0.001 4.471 4.470 -0.000 0.000 0.289 364 S C -0.235 174.322 174.600 -0.072 0.000 0.965 364 S CA -0.594 57.556 58.200 -0.083 0.000 0.855 364 S CB -0.072 63.081 63.200 -0.080 0.000 1.068 364 S HN 0.839 nan 8.310 nan 0.000 0.462 365 C N -0.122 119.148 119.300 -0.050 0.000 2.626 365 C HA 0.465 4.925 4.460 -0.000 0.000 0.266 365 C C 1.362 176.339 174.990 -0.021 0.000 1.317 365 C CA 0.361 59.355 59.018 -0.040 0.000 1.716 365 C CB -1.767 25.954 27.740 -0.030 0.000 1.819 365 C HN 0.879 nan 8.230 nan 0.000 0.578 366 E N 2.053 122.231 120.200 -0.037 0.000 2.481 366 E HA 0.315 4.665 4.350 -0.000 0.000 0.195 366 E C 1.355 177.919 176.600 -0.061 0.000 1.047 366 E CA 0.600 56.981 56.400 -0.031 0.000 0.867 366 E CB -0.207 29.474 29.700 -0.032 0.000 0.858 366 E HN 0.746 nan 8.360 nan 0.000 0.513 367 A N 1.453 124.215 122.820 -0.097 0.000 2.591 367 A HA 0.146 4.466 4.320 -0.000 0.000 0.244 367 A C 0.817 178.252 177.584 -0.248 0.000 1.031 367 A CA 0.533 52.471 52.037 -0.165 0.000 0.767 367 A CB -0.129 18.756 19.000 -0.191 0.000 0.942 367 A HN 0.250 nan 8.150 nan 0.000 0.514 368 S N 1.417 116.973 115.700 -0.239 0.000 2.690 368 S HA 0.723 5.193 4.470 -0.000 0.000 0.285 368 S C 0.016 174.358 174.600 -0.430 0.000 1.135 368 S CA -0.304 57.765 58.200 -0.219 0.000 1.020 368 S CB 0.409 63.584 63.200 -0.042 0.000 1.159 368 S HN 0.559 nan 8.310 nan 0.000 0.534 369 F N -0.136 119.725 119.950 -0.148 0.000 2.654 369 F HA 0.488 5.015 4.527 0.000 0.000 0.303 369 F C -0.022 175.596 175.800 -0.304 0.000 1.099 369 F CA -0.533 57.342 58.000 -0.208 0.000 1.270 369 F CB -0.128 38.786 39.000 -0.143 0.000 1.024 369 F HN 0.134 nan 8.300 nan 0.000 0.548 370 L N -0.343 120.810 121.223 -0.117 0.000 2.344 370 L HA 0.459 4.799 4.340 -0.000 0.000 0.272 370 L C -0.659 176.048 176.870 -0.272 0.000 1.035 370 L CA -0.858 53.893 54.840 -0.148 0.000 0.807 370 L CB 1.078 43.123 42.059 -0.023 0.000 1.237 370 L HN -0.175 nan 8.230 nan 0.000 0.442 371 F N 0.160 120.070 119.950 -0.066 0.000 2.385 371 F HA 0.290 4.817 4.527 -0.000 0.000 0.336 371 F C 0.938 176.715 175.800 -0.038 0.000 1.100 371 F CA -0.348 57.606 58.000 -0.077 0.000 1.116 371 F CB 1.722 40.653 39.000 -0.115 0.000 1.166 371 F HN 0.497 nan 8.300 nan 0.000 0.511 372 S N 1.328 117.132 115.700 0.175 0.000 2.600 372 S HA 0.051 4.521 4.470 -0.000 0.000 0.265 372 S C 1.093 175.753 174.600 0.100 0.000 1.325 372 S CA -0.294 57.967 58.200 0.102 0.000 1.002 372 S CB 0.736 63.983 63.200 0.078 0.000 0.921 372 S HN 0.716 nan 8.310 nan 0.000 0.554 373 D N 0.591 121.033 120.400 0.069 0.000 2.149 373 D HA -0.162 4.478 4.640 -0.000 0.000 0.198 373 D C 1.930 178.263 176.300 0.056 0.000 0.990 373 D CA 1.336 55.371 54.000 0.058 0.000 0.839 373 D CB -1.244 39.583 40.800 0.045 0.000 0.948 373 D HN 0.538 nan 8.370 nan 0.000 0.460 374 c N 0.744 119.378 118.600 0.057 0.000 2.432 374 c HA -0.082 4.488 4.570 -0.000 0.000 0.277 374 c C 3.223 177.346 174.090 0.055 0.000 1.249 374 c CA 1.112 57.474 56.329 0.055 0.000 1.725 374 c CB -1.131 41.412 42.510 0.056 0.000 2.028 374 c HN 0.389 nan 8.230 nan 0.000 0.477 375 S N 0.332 116.068 115.700 0.061 0.000 2.383 375 S HA -0.206 4.264 4.470 -0.000 0.000 0.229 375 S C 1.961 176.561 174.600 0.001 0.000 1.030 375 S CA 1.243 59.460 58.200 0.028 0.000 1.002 375 S CB -0.366 62.872 63.200 0.065 0.000 0.829 375 S HN 0.642 nan 8.310 nan 0.000 0.467 376 Q N 1.282 121.095 119.800 0.021 0.000 2.061 376 Q HA -0.100 4.240 4.340 -0.000 0.000 0.204 376 Q C 2.141 178.184 176.000 0.071 0.000 0.984 376 Q CA 1.274 57.098 55.803 0.035 0.000 0.846 376 Q CB -0.349 28.416 28.738 0.045 0.000 0.902 376 Q HN 0.563 nan 8.270 nan 0.000 0.421 377 K N 0.509 120.944 120.400 0.060 0.000 2.025 377 K HA -0.123 4.197 4.320 -0.000 0.000 0.207 377 K C 1.806 178.449 176.600 0.071 0.000 1.049 377 K CA 1.196 57.517 56.287 0.058 0.000 0.933 377 K CB -0.051 32.477 32.500 0.047 0.000 0.714 377 K HN 0.152 nan 8.250 nan 0.000 0.438 378 D N 0.231 120.676 120.400 0.075 0.000 2.106 378 D HA -0.228 4.412 4.640 -0.000 0.000 0.191 378 D C 1.890 178.273 176.300 0.139 0.000 0.997 378 D CA 1.287 55.341 54.000 0.091 0.000 0.834 378 D CB -0.575 40.266 40.800 0.068 0.000 0.956 378 D HN 0.347 nan 8.370 nan 0.000 0.448 379 H N 1.055 120.141 119.070 0.026 0.000 2.319 379 H HA -0.111 4.445 4.556 -0.000 0.000 0.299 379 H C 2.325 177.737 175.328 0.140 0.000 1.092 379 H CA 1.768 57.849 56.048 0.055 0.000 1.302 379 H CB 0.157 29.883 29.762 -0.060 0.000 1.373 379 H HN 0.023 nan 8.280 nan 0.000 0.497 380 R N 0.730 121.222 120.500 -0.012 0.000 2.073 380 R HA -0.138 4.202 4.340 -0.000 0.000 0.234 380 R C 2.254 178.540 176.300 -0.023 0.000 1.134 380 R CA 1.915 57.982 56.100 -0.055 0.000 0.952 380 R CB -0.089 30.221 30.300 0.018 0.000 0.850 380 R HN 0.518 nan 8.270 nan 0.000 0.433 381 E N -0.296 119.920 120.200 0.028 0.000 2.085 381 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 381 E C 1.799 178.412 176.600 0.022 0.000 0.994 381 E CA 1.462 57.879 56.400 0.027 0.000 0.801 381 E CB -0.320 29.408 29.700 0.048 0.000 0.743 381 E HN 0.329 nan 8.360 nan 0.000 0.453 382 F N 1.740 121.656 119.950 -0.056 0.000 2.095 382 F HA -0.224 4.303 4.527 0.000 0.000 0.298 382 F C 1.909 177.668 175.800 -0.067 0.000 1.104 382 F CA 1.412 59.382 58.000 -0.049 0.000 1.232 382 F CB -0.171 38.814 39.000 -0.025 0.000 0.987 382 F HN -0.086 nan 8.300 nan 0.000 0.475 383 L N -0.151 120.996 121.223 -0.128 0.000 2.046 383 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 383 L C 2.561 179.330 176.870 -0.169 0.000 1.077 383 L CA 1.459 56.219 54.840 -0.134 0.000 0.747 383 L CB -0.781 41.291 42.059 0.022 0.000 0.896 383 L HN 0.196 nan 8.230 nan 0.000 0.432 384 I N -0.003 120.504 120.570 -0.105 0.000 2.163 384 I HA -0.335 3.835 4.170 -0.000 0.000 0.243 384 I C 2.529 178.544 176.117 -0.170 0.000 1.085 384 I CA 1.613 62.857 61.300 -0.094 0.000 1.347 384 I CB -0.254 37.718 38.000 -0.046 0.000 1.044 384 I HN 0.242 nan 8.210 nan 0.000 0.408 385 K N 0.148 120.424 120.400 -0.206 0.000 2.228 385 K HA -0.026 4.294 4.320 -0.000 0.000 0.202 385 K C 1.434 177.847 176.600 -0.312 0.000 1.051 385 K CA 0.916 57.071 56.287 -0.220 0.000 0.960 385 K CB 0.025 32.419 32.500 -0.175 0.000 0.743 385 K HN 0.412 nan 8.250 nan 0.000 0.458 386 N N 0.060 118.467 118.700 -0.489 0.000 2.332 386 N HA 0.126 4.866 4.740 -0.000 0.000 0.190 386 N C -0.005 175.232 175.510 -0.456 0.000 1.117 386 N CA 0.065 52.807 53.050 -0.513 0.000 0.883 386 N CB 0.519 38.504 38.487 -0.836 0.000 1.089 386 N HN 0.020 nan 8.380 nan 0.000 0.480 387 M N 1.847 121.121 119.600 -0.543 0.000 2.176 387 M HA -0.122 4.358 4.480 -0.000 0.000 0.186 387 M C -2.368 173.624 176.300 -0.514 0.000 0.619 387 M CA 0.205 54.978 55.300 -0.877 0.000 0.438 387 M CB -1.386 30.619 32.600 -0.991 0.000 1.020 387 M HN -0.051 nan 8.290 nan 0.000 0.920 388 P HA -0.054 nan 4.420 nan 0.000 0.263 388 P C 0.344 177.724 177.300 0.134 0.000 1.195 388 P CA 0.358 63.471 63.100 0.023 0.000 0.762 388 P CB 0.652 32.448 31.700 0.159 0.000 0.799 389 Q N 2.481 122.330 119.800 0.082 0.000 2.083 389 Q HA -0.097 4.243 4.340 -0.000 0.000 0.198 389 Q C 2.255 178.351 176.000 0.161 0.000 0.969 389 Q CA 1.656 57.544 55.803 0.142 0.000 0.838 389 Q CB -1.372 27.406 28.738 0.066 0.000 0.900 389 Q HN 0.731 nan 8.270 nan 0.000 0.436 390 c N 1.130 119.799 118.600 0.115 0.000 2.403 390 c HA -0.104 4.466 4.570 -0.000 0.000 0.279 390 c C 2.403 176.576 174.090 0.138 0.000 1.269 390 c CA 0.661 57.051 56.329 0.102 0.000 1.774 390 c CB -1.552 40.995 42.510 0.062 0.000 1.993 390 c HN 0.577 nan 8.230 nan 0.000 0.496 391 I N -1.211 119.465 120.570 0.177 0.000 3.550 391 I HA 0.164 4.334 4.170 -0.000 0.000 0.295 391 I C 1.712 177.971 176.117 0.237 0.000 1.291 391 I CA 0.774 62.192 61.300 0.197 0.000 1.298 391 I CB -0.487 37.623 38.000 0.183 0.000 1.026 391 I HN 0.332 nan 8.210 nan 0.000 0.491 392 L N 0.652 122.008 121.223 0.222 0.000 2.463 392 L HA 0.189 4.529 4.340 -0.000 0.000 0.219 392 L C 1.142 178.145 176.870 0.222 0.000 1.088 392 L CA 0.101 55.076 54.840 0.225 0.000 0.849 392 L CB -0.075 42.096 42.059 0.187 0.000 1.012 392 L HN 0.120 nan 8.230 nan 0.000 0.468 393 K N 2.325 122.812 120.400 0.145 0.000 2.378 393 K HA 0.029 4.349 4.320 -0.000 0.000 0.288 393 K C 0.084 176.624 176.600 -0.099 0.000 1.057 393 K CA -0.039 56.274 56.287 0.043 0.000 0.971 393 K CB 0.479 33.006 32.500 0.046 0.000 0.975 393 K HN -0.150 nan 8.250 nan 0.000 0.475 394 K N 6.478 126.692 120.400 -0.310 0.000 2.276 394 K HA 0.233 4.553 4.320 -0.000 0.000 0.283 394 K C -2.103 174.338 176.600 -0.264 0.000 1.044 394 K CA -1.775 54.068 56.287 -0.740 0.000 0.944 394 K CB 0.606 32.658 32.500 -0.748 0.000 1.012 394 K HN 0.482 nan 8.250 nan 0.000 0.472 395 P HA 0.064 nan 4.420 nan 0.000 0.275 395 P C -0.523 176.861 177.300 0.140 0.000 1.228 395 P CA -0.226 62.890 63.100 0.026 0.000 0.786 395 P CB 0.698 32.416 31.700 0.029 0.000 0.927 396 L N 2.912 124.199 121.223 0.106 0.000 2.426 396 L HA 0.115 4.455 4.340 -0.000 0.000 0.271 396 L C 2.021 178.990 176.870 0.165 0.000 1.169 396 L CA -0.312 54.589 54.840 0.102 0.000 0.836 396 L CB 0.100 42.196 42.059 0.062 0.000 1.112 396 L HN 0.407 nan 8.230 nan 0.000 0.465 397 K N 0.583 121.062 120.400 0.131 0.000 2.160 397 K HA -0.175 4.145 4.320 -0.000 0.000 0.206 397 K C 1.721 178.399 176.600 0.129 0.000 1.047 397 K CA 1.927 58.303 56.287 0.149 0.000 0.930 397 K CB -0.309 32.203 32.500 0.020 0.000 0.720 397 K HN 0.859 nan 8.250 nan 0.000 0.450 398 T N -1.134 113.471 114.554 0.085 0.000 3.118 398 T HA -0.022 4.328 4.350 -0.000 0.000 0.260 398 T C 1.121 175.867 174.700 0.076 0.000 1.139 398 T CA 0.681 62.821 62.100 0.068 0.000 1.085 398 T CB 0.062 68.958 68.868 0.047 0.000 0.934 398 T HN 0.012 nan 8.240 nan 0.000 0.518 399 D N 1.014 121.471 120.400 0.096 0.000 2.346 399 D HA 0.138 4.778 4.640 -0.000 0.000 0.206 399 D C 0.274 176.628 176.300 0.089 0.000 1.001 399 D CA 0.159 54.214 54.000 0.091 0.000 0.871 399 D CB 0.369 41.225 40.800 0.093 0.000 0.943 399 D HN 0.304 nan 8.370 nan 0.000 0.518 400 V N 2.431 122.408 119.914 0.106 0.000 2.455 400 V HA 0.016 4.136 4.120 -0.000 0.000 0.273 400 V C 1.638 177.760 176.094 0.047 0.000 1.045 400 V CA -0.187 62.162 62.300 0.083 0.000 0.976 400 V CB 1.521 33.429 31.823 0.141 0.000 0.993 400 V HN 0.010 nan 8.190 nan 0.000 0.475 401 V N 2.038 121.963 119.914 0.019 0.000 3.647 401 V HA 0.182 4.302 4.120 -0.000 0.000 0.279 401 V C 0.963 177.016 176.094 -0.068 0.000 1.314 401 V CA 0.391 62.693 62.300 0.003 0.000 1.125 401 V CB -0.006 31.831 31.823 0.023 0.000 0.907 401 V HN 0.783 nan 8.190 nan 0.000 0.434 402 S N 0.794 116.424 115.700 -0.117 0.000 2.562 402 S HA 0.624 5.094 4.470 -0.000 0.000 0.275 402 S C -2.546 171.852 174.600 -0.337 0.000 1.281 402 S CA -1.296 56.691 58.200 -0.356 0.000 1.045 402 S CB 0.598 63.687 63.200 -0.185 0.000 0.962 402 S HN 0.302 nan 8.310 nan 0.000 0.503 403 P HA 0.193 nan 4.420 nan 0.000 0.262 403 P C -0.220 177.000 177.300 -0.132 0.000 1.182 403 P CA 0.153 63.084 63.100 -0.281 0.000 0.761 403 P CB 0.066 31.581 31.700 -0.310 0.000 0.795 404 A N 3.442 126.230 122.820 -0.054 0.000 2.561 404 A HA 0.213 4.533 4.320 -0.000 0.000 0.234 404 A C -0.017 177.574 177.584 0.011 0.000 1.055 404 A CA 0.260 52.303 52.037 0.010 0.000 0.756 404 A CB -0.111 18.897 19.000 0.015 0.000 0.986 404 A HN 0.396 nan 8.150 nan 0.000 0.505 405 V N 2.964 122.910 119.914 0.053 0.000 2.443 405 V HA 0.224 4.344 4.120 -0.000 0.000 0.293 405 V C 0.076 176.195 176.094 0.043 0.000 1.021 405 V CA -0.718 61.611 62.300 0.049 0.000 0.848 405 V CB 1.223 33.094 31.823 0.081 0.000 0.998 405 V HN 1.073 nan 8.190 nan 0.000 0.424 406 c N 5.351 123.955 118.600 0.006 0.000 2.540 406 c HA 0.616 5.186 4.570 -0.000 0.000 0.377 406 c C 1.407 175.466 174.090 -0.051 0.000 1.274 406 c CA 1.012 57.326 56.329 -0.025 0.000 1.718 406 c CB -1.308 41.181 42.510 -0.034 0.000 2.391 406 c HN 1.462 nan 8.230 nan 0.000 0.565 407 G N 5.561 114.299 108.800 -0.102 0.000 2.164 407 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.154 407 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.154 407 G C 0.250 175.023 174.900 -0.212 0.000 1.014 407 G CA 0.262 45.240 45.100 -0.203 0.000 0.683 407 G HN 0.971 nan 8.290 nan 0.000 0.500 408 N N 0.089 118.774 118.700 -0.025 0.000 2.251 408 N HA 0.247 4.987 4.740 -0.000 0.000 0.217 408 N C 0.842 176.555 175.510 0.340 0.000 1.124 408 N CA -0.248 52.955 53.050 0.255 0.000 0.843 408 N CB -0.440 38.282 38.487 0.391 0.000 1.024 408 N HN 0.730 nan 8.380 nan 0.000 0.501 409 Y N -1.813 118.471 120.300 -0.026 0.000 4.604 409 Y HA -0.253 4.297 4.550 -0.000 0.000 0.230 409 Y C -0.628 175.263 175.900 -0.014 0.000 1.066 409 Y CA 0.627 58.675 58.100 -0.087 0.000 1.990 409 Y CB -2.608 35.690 38.460 -0.270 0.000 1.619 409 Y HN 0.297 nan 8.280 nan 0.000 0.649 410 F N -0.463 119.457 119.950 -0.050 0.000 2.561 410 F HA 0.677 5.204 4.527 0.000 0.000 0.313 410 F C -0.486 175.287 175.800 -0.046 0.000 1.126 410 F CA -1.780 56.135 58.000 -0.142 0.000 0.918 410 F CB 1.142 39.873 39.000 -0.448 0.000 1.199 410 F HN -0.303 nan 8.300 nan 0.000 0.444 411 V N 5.744 125.242 119.914 -0.694 0.000 2.405 411 V HA 0.214 4.334 4.120 -0.000 0.000 0.264 411 V C -0.264 175.588 176.094 -0.403 0.000 1.048 411 V CA -0.031 62.008 62.300 -0.434 0.000 0.966 411 V CB 0.457 32.062 31.823 -0.363 0.000 1.015 411 V HN 0.720 nan 8.190 nan 0.000 0.477 412 E N 2.918 123.061 120.200 -0.094 0.000 2.235 412 E HA 0.511 4.861 4.350 -0.000 0.000 0.265 412 E C -0.737 175.866 176.600 0.004 0.000 0.940 412 E CA -1.061 55.363 56.400 0.041 0.000 0.819 412 E CB 2.053 31.844 29.700 0.153 0.000 1.206 412 E HN 0.401 nan 8.360 nan 0.000 0.409 413 V N 2.150 122.079 119.914 0.026 0.000 2.678 413 V HA 0.054 4.174 4.120 -0.000 0.000 0.304 413 V C 1.389 177.483 176.094 -0.001 0.000 1.086 413 V CA 2.095 64.400 62.300 0.009 0.000 1.246 413 V CB -0.228 31.607 31.823 0.019 0.000 0.861 413 V HN 1.076 nan 8.190 nan 0.000 0.491 414 G N 3.657 112.451 108.800 -0.009 0.000 2.232 414 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.226 414 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.226 414 G C -0.028 174.860 174.900 -0.020 0.000 0.996 414 G CA 0.116 45.209 45.100 -0.012 0.000 0.626 414 G HN 0.674 nan 8.290 nan 0.000 0.509 415 E N -0.093 120.090 120.200 -0.029 0.000 2.212 415 E HA 0.608 4.958 4.350 -0.000 0.000 0.270 415 E C 0.399 176.968 176.600 -0.051 0.000 0.956 415 E CA -0.619 55.756 56.400 -0.042 0.000 0.825 415 E CB 1.686 31.356 29.700 -0.050 0.000 1.167 415 E HN 0.344 nan 8.360 nan 0.000 0.400 416 E N -0.039 120.129 120.200 -0.053 0.000 2.340 416 E HA 0.086 4.436 4.350 -0.000 0.000 0.198 416 E C 0.199 176.760 176.600 -0.066 0.000 0.961 416 E CA 0.339 56.708 56.400 -0.051 0.000 0.905 416 E CB 0.519 30.194 29.700 -0.043 0.000 0.884 416 E HN 0.584 nan 8.360 nan 0.000 0.491 417 c N -1.238 117.318 118.600 -0.074 0.000 3.306 417 c HA 0.658 5.228 4.570 -0.000 0.000 0.335 417 c C -1.812 172.221 174.090 -0.094 0.000 1.382 417 c CA -1.211 55.068 56.329 -0.084 0.000 1.254 417 c CB 1.991 44.459 42.510 -0.070 0.000 1.555 417 c HN 0.038 nan 8.230 nan 0.000 0.463 418 D N 0.197 120.534 120.400 -0.105 0.000 2.354 418 D HA 0.309 4.949 4.640 -0.000 0.000 0.230 418 D C 0.229 176.432 176.300 -0.161 0.000 1.361 418 D CA -0.092 53.828 54.000 -0.134 0.000 0.992 418 D CB 1.213 41.942 40.800 -0.118 0.000 1.409 418 D HN 1.047 nan 8.370 nan 0.000 0.573 419 c N 2.165 120.650 118.600 -0.192 0.000 2.884 419 c HA 0.829 5.399 4.570 -0.000 0.000 0.287 419 c C 1.218 175.061 174.090 -0.411 0.000 1.310 419 c CA 0.338 56.559 56.329 -0.179 0.000 1.725 419 c CB -0.948 41.511 42.510 -0.086 0.000 2.060 419 c HN 0.765 nan 8.230 nan 0.000 0.618 420 G N 1.738 110.104 108.800 -0.723 0.000 2.548 420 G HA2 0.116 4.076 3.960 -0.000 0.000 0.208 420 G HA3 0.116 4.076 3.960 -0.000 0.000 0.208 420 G C -0.181 174.490 174.900 -0.382 0.000 1.308 420 G CA -0.115 44.405 45.100 -0.967 0.000 0.924 420 G HN 1.457 nan 8.290 nan 0.000 0.540 421 S N 0.115 115.676 115.700 -0.232 0.000 2.608 421 S HA 0.564 5.034 4.470 -0.000 0.000 0.261 421 S C -1.172 173.378 174.600 -0.083 0.000 1.314 421 S CA -0.088 58.044 58.200 -0.113 0.000 0.992 421 S CB 1.664 64.832 63.200 -0.053 0.000 0.935 421 S HN 0.486 nan 8.310 nan 0.000 0.564 422 P HA -0.015 nan 4.420 nan 0.000 0.222 422 P C 1.433 178.717 177.300 -0.028 0.000 1.147 422 P CA 0.840 63.914 63.100 -0.044 0.000 0.790 422 P CB 0.063 31.741 31.700 -0.036 0.000 0.780 423 R N -0.399 120.089 120.500 -0.021 0.000 2.127 423 R HA -0.023 4.317 4.340 -0.000 0.000 0.217 423 R C 1.580 177.883 176.300 0.006 0.000 1.074 423 R CA 1.771 57.867 56.100 -0.007 0.000 0.991 423 R CB -0.232 30.067 30.300 -0.002 0.000 0.895 423 R HN 0.223 nan 8.270 nan 0.000 0.450 424 T N -2.954 111.608 114.554 0.013 0.000 3.022 424 T HA 0.077 4.427 4.350 -0.000 0.000 0.250 424 T C 0.909 175.633 174.700 0.041 0.000 1.060 424 T CA -0.300 61.828 62.100 0.047 0.000 1.013 424 T CB -0.461 68.475 68.868 0.113 0.000 0.982 424 T HN 0.184 nan 8.240 nan 0.000 0.508 425 c N 3.155 121.752 118.600 -0.005 0.000 2.592 425 c HA 0.326 4.896 4.570 -0.000 0.000 0.408 425 c C 1.558 175.648 174.090 0.001 0.000 1.436 425 c CA -0.226 56.092 56.329 -0.018 0.000 1.595 425 c CB -1.043 41.435 42.510 -0.053 0.000 2.487 425 c HN 0.574 nan 8.230 nan 0.000 0.610 426 R N 2.084 122.592 120.500 0.014 0.000 2.508 426 R HA 0.154 4.494 4.340 -0.000 0.000 0.300 426 R C -0.423 175.879 176.300 0.003 0.000 0.970 426 R CA -0.175 55.932 56.100 0.012 0.000 1.102 426 R CB 0.119 30.433 30.300 0.024 0.000 1.246 426 R HN 0.710 nan 8.270 nan 0.000 0.539 427 D N 1.498 121.894 120.400 -0.007 0.000 2.443 427 D HA 0.114 4.754 4.640 -0.000 0.000 0.221 427 D C -1.414 174.871 176.300 -0.024 0.000 1.097 427 D CA -2.420 51.571 54.000 -0.014 0.000 0.865 427 D CB 1.589 42.378 40.800 -0.017 0.000 1.034 427 D HN -0.056 nan 8.370 nan 0.000 0.511 428 P HA -0.118 nan 4.420 nan 0.000 0.223 428 P C 1.065 178.345 177.300 -0.034 0.000 1.144 428 P CA 0.538 63.623 63.100 -0.026 0.000 0.783 428 P CB 0.192 31.879 31.700 -0.022 0.000 0.771 429 c N -1.165 117.412 118.600 -0.038 0.000 2.468 429 c HA 0.121 4.691 4.570 -0.000 0.000 0.277 429 c C 1.842 175.900 174.090 -0.052 0.000 1.400 429 c CA -0.284 56.016 56.329 -0.050 0.000 1.770 429 c CB -1.483 40.994 42.510 -0.056 0.000 1.905 429 c HN 0.301 nan 8.230 nan 0.000 0.519 430 c N 1.875 120.446 118.600 -0.049 0.000 2.391 430 c HA 0.524 5.093 4.570 -0.000 0.000 0.339 430 c C -0.473 173.587 174.090 -0.051 0.000 1.205 430 c CA -0.475 55.822 56.329 -0.054 0.000 1.937 430 c CB 0.385 42.859 42.510 -0.059 0.000 2.341 430 c HN 0.581 nan 8.230 nan 0.000 0.516 431 D N 2.867 123.236 120.400 -0.052 0.000 2.485 431 D HA 0.432 5.072 4.640 -0.000 0.000 0.221 431 D C 0.881 177.148 176.300 -0.056 0.000 1.112 431 D CA 0.066 54.037 54.000 -0.048 0.000 0.911 431 D CB 1.123 41.898 40.800 -0.042 0.000 1.019 431 D HN 0.680 nan 8.370 nan 0.000 0.516 432 A N 2.841 125.623 122.820 -0.064 0.000 2.148 432 A HA -0.188 4.132 4.320 -0.000 0.000 0.222 432 A C 1.985 179.527 177.584 -0.071 0.000 1.161 432 A CA 1.734 53.722 52.037 -0.082 0.000 0.662 432 A CB -0.497 18.448 19.000 -0.092 0.000 0.799 432 A HN 0.586 nan 8.150 nan 0.000 0.466 433 T N -0.740 113.782 114.554 -0.054 0.000 2.942 433 T HA -0.052 4.298 4.350 -0.000 0.000 0.265 433 T C 1.933 176.608 174.700 -0.041 0.000 1.062 433 T CA 1.847 63.920 62.100 -0.044 0.000 1.139 433 T CB -0.215 68.632 68.868 -0.035 0.000 0.883 433 T HN 0.817 nan 8.240 nan 0.000 0.468 434 T N -2.215 112.314 114.554 -0.042 0.000 2.985 434 T HA 0.160 4.510 4.350 -0.000 0.000 0.254 434 T C 1.110 175.785 174.700 -0.042 0.000 1.021 434 T CA 0.061 62.139 62.100 -0.037 0.000 0.957 434 T CB -0.690 68.159 68.868 -0.032 0.000 1.047 434 T HN 0.283 nan 8.240 nan 0.000 0.511 435 c N 2.251 120.819 118.600 -0.052 0.000 4.454 435 c HA -0.072 4.498 4.570 -0.000 0.000 0.298 435 c C -0.013 174.046 174.090 -0.052 0.000 1.384 435 c CA 0.345 56.639 56.329 -0.059 0.000 2.002 435 c CB -2.129 40.347 42.510 -0.056 0.000 1.249 435 c HN 0.547 nan 8.230 nan 0.000 0.783 436 K N -0.262 120.108 120.400 -0.048 0.000 2.375 436 K HA 0.692 5.012 4.320 -0.000 0.000 0.249 436 K C -0.023 176.548 176.600 -0.048 0.000 0.942 436 K CA -0.614 55.646 56.287 -0.044 0.000 0.806 436 K CB 1.336 33.815 32.500 -0.037 0.000 1.227 436 K HN 0.303 nan 8.250 nan 0.000 0.430 437 L N 2.226 123.419 121.223 -0.050 0.000 2.461 437 L HA 0.181 4.521 4.340 -0.000 0.000 0.272 437 L C 0.906 177.744 176.870 -0.053 0.000 1.197 437 L CA 0.037 54.843 54.840 -0.057 0.000 0.836 437 L CB 0.198 42.216 42.059 -0.067 0.000 1.105 437 L HN 0.248 nan 8.230 nan 0.000 0.477 438 R N 2.162 122.630 120.500 -0.054 0.000 2.340 438 R HA 0.113 4.453 4.340 -0.000 0.000 0.300 438 R C -0.179 176.091 176.300 -0.051 0.000 1.069 438 R CA -0.555 55.516 56.100 -0.048 0.000 0.984 438 R CB 0.710 30.983 30.300 -0.044 0.000 1.003 438 R HN 0.541 nan 8.270 nan 0.000 0.459 439 Q N 1.153 120.927 119.800 -0.043 0.000 3.002 439 Q HA -0.225 4.115 4.340 -0.000 0.000 0.384 439 Q C 0.796 176.766 176.000 -0.049 0.000 1.084 439 Q CA 1.664 57.441 55.803 -0.042 0.000 1.189 439 Q CB 0.185 28.904 28.738 -0.033 0.000 1.072 439 Q HN 0.910 nan 8.270 nan 0.000 0.443 440 G N 2.325 111.091 108.800 -0.056 0.000 3.642 440 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.205 440 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.205 440 G C 0.156 175.000 174.900 -0.094 0.000 1.526 440 G CA 0.014 45.076 45.100 -0.064 0.000 1.097 440 G HN 1.283 nan 8.290 nan 0.000 0.596 441 A N 0.514 123.273 122.820 -0.101 0.000 2.583 441 A HA 0.473 4.793 4.320 -0.000 0.000 0.231 441 A C 1.129 178.593 177.584 -0.200 0.000 1.065 441 A CA 1.885 53.837 52.037 -0.143 0.000 0.760 441 A CB 0.082 19.013 19.000 -0.116 0.000 1.001 441 A HN 0.786 nan 8.150 nan 0.000 0.509 442 Q N -0.496 119.104 119.800 -0.333 0.000 2.322 442 Q HA 0.225 4.565 4.340 -0.000 0.000 0.250 442 Q C 0.091 175.804 176.000 -0.479 0.000 0.853 442 Q CA 0.664 56.158 55.803 -0.515 0.000 0.951 442 Q CB 0.616 28.730 28.738 -1.040 0.000 1.114 442 Q HN 0.971 nan 8.270 nan 0.000 0.523 443 c N -3.706 114.686 118.600 -0.347 0.000 3.336 443 c HA 0.951 5.521 4.570 -0.000 0.000 0.339 443 c C 0.381 174.412 174.090 -0.098 0.000 1.468 443 c CA -0.289 55.948 56.329 -0.153 0.000 1.287 443 c CB 1.184 43.660 42.510 -0.057 0.000 1.682 443 c HN 0.199 nan 8.230 nan 0.000 0.451 444 A N 0.135 122.928 122.820 -0.046 0.000 1.808 444 A HA 0.558 4.878 4.320 -0.000 0.000 0.190 444 A C 0.221 177.795 177.584 -0.016 0.000 1.822 444 A CA 0.379 52.392 52.037 -0.039 0.000 1.090 444 A CB -0.351 18.622 19.000 -0.045 0.000 1.004 444 A HN 1.006 nan 8.150 nan 0.000 0.602 445 E N -0.179 120.016 120.200 -0.009 0.000 2.204 445 E HA 0.566 4.916 4.350 -0.000 0.000 0.276 445 E C 0.022 176.633 176.600 0.019 0.000 0.974 445 E CA -0.426 55.978 56.400 0.006 0.000 0.815 445 E CB 1.655 31.357 29.700 0.004 0.000 1.119 445 E HN 1.273 nan 8.360 nan 0.000 0.393 446 G N 0.961 109.778 108.800 0.028 0.000 2.326 446 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.413 446 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.413 446 G C -0.090 174.832 174.900 0.035 0.000 1.444 446 G CA -0.795 44.327 45.100 0.035 0.000 1.002 446 G HN 0.465 nan 8.290 nan 0.000 0.649 447 L N -0.714 120.527 121.223 0.031 0.000 2.395 447 L HA 0.134 4.474 4.340 -0.000 0.000 0.218 447 L C 1.376 178.264 176.870 0.030 0.000 1.130 447 L CA 0.665 55.520 54.840 0.025 0.000 0.826 447 L CB 0.228 42.296 42.059 0.016 0.000 0.941 447 L HN 0.476 nan 8.230 nan 0.000 0.451 448 c N -0.333 118.293 118.600 0.045 0.000 2.429 448 c HA 0.400 4.970 4.570 -0.000 0.000 0.310 448 c C 0.250 174.418 174.090 0.130 0.000 1.446 448 c CA -0.951 55.416 56.329 0.065 0.000 1.747 448 c CB -0.838 41.694 42.510 0.037 0.000 2.865 448 c HN 0.510 nan 8.230 nan 0.000 0.554 449 c N 1.622 120.276 118.600 0.091 0.000 2.642 449 c HA 0.619 5.189 4.570 -0.000 0.000 0.344 449 c C -1.688 172.422 174.090 0.034 0.000 1.110 449 c CA -0.186 56.190 56.329 0.079 0.000 1.298 449 c CB 0.758 43.302 42.510 0.058 0.000 1.827 449 c HN 0.675 nan 8.230 nan 0.000 0.467 450 D N 3.319 123.730 120.400 0.019 0.000 2.780 450 D HA 0.307 4.947 4.640 -0.000 0.000 0.242 450 D C -0.346 175.945 176.300 -0.015 0.000 1.135 450 D CA 0.138 54.142 54.000 0.005 0.000 0.859 450 D CB 1.757 42.565 40.800 0.013 0.000 1.530 450 D HN 0.792 nan 8.370 nan 0.000 0.493 451 Q N 1.985 121.774 119.800 -0.018 0.000 2.411 451 Q HA -0.238 4.102 4.340 -0.000 0.000 0.305 451 Q C 0.127 176.098 176.000 -0.049 0.000 1.273 451 Q CA 0.757 56.544 55.803 -0.028 0.000 0.895 451 Q CB -1.818 26.906 28.738 -0.022 0.000 1.198 451 Q HN 0.743 nan 8.270 nan 0.000 0.470 452 c N -1.820 116.745 118.600 -0.060 0.000 4.417 452 c HA -0.227 4.343 4.570 -0.000 0.000 0.284 452 c C 0.450 174.445 174.090 -0.158 0.000 1.379 452 c CA 1.043 57.313 56.329 -0.098 0.000 1.918 452 c CB -2.188 40.269 42.510 -0.089 0.000 1.280 452 c HN 0.516 nan 8.230 nan 0.000 0.783 453 R N -1.377 119.042 120.500 -0.136 0.000 2.673 453 R HA 0.572 4.912 4.340 -0.000 0.000 0.281 453 R C -0.372 175.880 176.300 -0.080 0.000 0.991 453 R CA -0.790 55.200 56.100 -0.184 0.000 0.896 453 R CB 1.018 31.260 30.300 -0.097 0.000 1.201 453 R HN 0.291 nan 8.270 nan 0.000 0.457 454 F N 2.627 122.568 119.950 -0.014 0.000 2.612 454 F HA -0.035 4.492 4.527 -0.000 0.000 0.389 454 F C 1.398 177.190 175.800 -0.013 0.000 1.055 454 F CA 0.338 58.329 58.000 -0.015 0.000 1.232 454 F CB 0.332 39.323 39.000 -0.015 0.000 1.044 454 F HN 0.148 nan 8.300 nan 0.000 0.560 455 K N 2.439 122.955 120.400 0.193 0.000 2.397 455 K HA 0.069 4.389 4.320 -0.000 0.000 0.265 455 K C 0.631 177.278 176.600 0.078 0.000 0.982 455 K CA -0.039 56.306 56.287 0.095 0.000 0.931 455 K CB 0.343 32.879 32.500 0.060 0.000 0.943 455 K HN 0.805 nan 8.250 nan 0.000 0.501 456 G N 0.560 109.388 108.800 0.047 0.000 2.353 456 G HA2 0.240 4.200 3.960 -0.000 0.000 0.239 456 G HA3 0.240 4.200 3.960 -0.000 0.000 0.239 456 G C -0.131 174.776 174.900 0.012 0.000 1.295 456 G CA -0.347 44.772 45.100 0.031 0.000 0.884 456 G HN 0.690 nan 8.290 nan 0.000 0.537 457 A N 1.397 124.219 122.820 0.003 0.000 2.567 457 A HA 0.510 4.830 4.320 -0.000 0.000 0.240 457 A C 1.718 179.293 177.584 -0.015 0.000 1.053 457 A CA 1.206 53.233 52.037 -0.018 0.000 0.755 457 A CB -0.249 18.738 19.000 -0.022 0.000 0.978 457 A HN 2.628 nan 8.150 nan 0.000 0.507 458 G N 2.104 110.890 108.800 -0.022 0.000 2.176 458 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.253 458 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.253 458 G C 0.405 175.296 174.900 -0.014 0.000 0.979 458 G CA 0.491 45.580 45.100 -0.019 0.000 0.641 458 G HN 1.215 nan 8.290 nan 0.000 0.530 459 T N 0.735 115.283 114.554 -0.011 0.000 2.897 459 T HA 0.447 4.797 4.350 -0.000 0.000 0.294 459 T C 0.289 174.983 174.700 -0.010 0.000 1.004 459 T CA 0.061 62.158 62.100 -0.005 0.000 1.106 459 T CB 1.908 70.778 68.868 0.004 0.000 0.949 459 T HN 0.416 nan 8.240 nan 0.000 0.520 460 E N 1.016 121.211 120.200 -0.008 0.000 2.290 460 E HA 0.151 4.501 4.350 -0.000 0.000 0.277 460 E C 0.870 177.465 176.600 -0.008 0.000 1.035 460 E CA -0.668 55.725 56.400 -0.012 0.000 0.873 460 E CB 0.288 29.982 29.700 -0.009 0.000 1.029 460 E HN 0.878 nan 8.360 nan 0.000 0.419 461 c N 4.178 122.770 118.600 -0.013 0.000 2.469 461 c HA 0.380 4.950 4.570 -0.000 0.000 0.309 461 c C 1.006 175.091 174.090 -0.007 0.000 1.385 461 c CA -0.444 55.881 56.329 -0.007 0.000 1.890 461 c CB -0.309 42.194 42.510 -0.011 0.000 2.245 461 c HN 0.682 nan 8.230 nan 0.000 0.530 462 R N 1.432 121.922 120.500 -0.017 0.000 2.409 462 R HA 0.631 4.971 4.340 -0.000 0.000 0.313 462 R C -0.292 175.997 176.300 -0.018 0.000 0.953 462 R CA -0.038 56.053 56.100 -0.015 0.000 0.849 462 R CB 1.442 31.728 30.300 -0.023 0.000 1.171 462 R HN 0.588 nan 8.270 nan 0.000 0.458 463 A N 3.051 125.868 122.820 -0.006 0.000 2.346 463 A HA 0.551 4.871 4.320 -0.000 0.000 0.252 463 A C -0.039 177.545 177.584 0.000 0.000 1.089 463 A CA -0.128 51.908 52.037 -0.002 0.000 0.797 463 A CB 0.525 19.529 19.000 0.005 0.000 1.047 463 A HN 0.876 nan 8.150 nan 0.000 0.494 464 A N 0.421 123.244 122.820 0.005 0.000 2.488 464 A HA 0.391 4.711 4.320 -0.000 0.000 0.249 464 A C 1.164 178.767 177.584 0.032 0.000 1.083 464 A CA 0.287 52.335 52.037 0.017 0.000 0.768 464 A CB 0.047 19.061 19.000 0.022 0.000 1.017 464 A HN 0.906 nan 8.150 nan 0.000 0.496 465 K N 0.986 121.416 120.400 0.049 0.000 2.262 465 K HA 0.097 4.417 4.320 -0.000 0.000 0.200 465 K C -0.524 176.109 176.600 0.054 0.000 1.049 465 K CA 1.088 57.407 56.287 0.054 0.000 0.979 465 K CB -0.032 32.509 32.500 0.069 0.000 0.773 465 K HN 0.784 nan 8.250 nan 0.000 0.474 466 D N -0.609 119.830 120.400 0.064 0.000 2.639 466 D HA -0.064 4.576 4.640 -0.000 0.000 0.271 466 D C 0.081 176.418 176.300 0.060 0.000 1.254 466 D CA -0.862 53.172 54.000 0.057 0.000 0.810 466 D CB 0.787 41.621 40.800 0.057 0.000 1.351 466 D HN 0.129 nan 8.370 nan 0.000 0.427 467 E N -0.818 119.411 120.200 0.049 0.000 2.394 467 E HA -0.218 4.132 4.350 -0.000 0.000 0.202 467 E C 0.245 176.884 176.600 0.064 0.000 1.029 467 E CA 0.966 57.395 56.400 0.049 0.000 0.855 467 E CB -0.427 29.296 29.700 0.038 0.000 0.770 467 E HN 0.366 nan 8.360 nan 0.000 0.527 468 c N 0.949 119.596 118.600 0.079 0.000 3.000 468 c HA 0.270 4.840 4.570 -0.000 0.000 0.286 468 c C 0.187 174.378 174.090 0.168 0.000 1.343 468 c CA -0.694 55.695 56.329 0.100 0.000 1.742 468 c CB -0.921 41.633 42.510 0.074 0.000 2.200 468 c HN 0.361 nan 8.230 nan 0.000 0.621 469 D N 0.549 121.042 120.400 0.156 0.000 2.299 469 D HA 0.510 5.150 4.640 -0.000 0.000 0.243 469 D C -0.754 175.593 176.300 0.078 0.000 0.982 469 D CA -0.181 53.928 54.000 0.181 0.000 0.924 469 D CB 1.130 42.021 40.800 0.152 0.000 1.238 469 D HN 0.129 nan 8.370 nan 0.000 0.484 470 M N 2.087 121.695 119.600 0.013 0.000 2.321 470 M HA 0.584 5.064 4.480 -0.000 0.000 0.315 470 M C -0.840 175.427 176.300 -0.056 0.000 1.052 470 M CA -0.741 54.548 55.300 -0.019 0.000 0.936 470 M CB 1.702 34.287 32.600 -0.025 0.000 1.639 470 M HN 0.503 nan 8.290 nan 0.000 0.433 471 A N 3.895 126.694 122.820 -0.034 0.000 2.584 471 A HA 0.073 4.393 4.320 -0.000 0.000 0.239 471 A C -0.517 177.031 177.584 -0.060 0.000 1.043 471 A CA 0.439 52.453 52.037 -0.039 0.000 0.756 471 A CB -0.206 18.781 19.000 -0.022 0.000 0.963 471 A HN 0.824 nan 8.150 nan 0.000 0.511 472 D N 1.237 121.596 120.400 -0.069 0.000 2.255 472 D HA 0.456 5.096 4.640 -0.000 0.000 0.249 472 D C -0.507 175.760 176.300 -0.055 0.000 1.078 472 D CA 0.066 54.018 54.000 -0.080 0.000 0.896 472 D CB 1.783 42.526 40.800 -0.094 0.000 1.194 472 D HN 0.195 nan 8.370 nan 0.000 0.429 473 V N 1.734 121.615 119.914 -0.056 0.000 2.735 473 V HA 0.179 4.299 4.120 -0.000 0.000 0.310 473 V C 0.172 176.237 176.094 -0.048 0.000 1.061 473 V CA -0.800 61.474 62.300 -0.044 0.000 0.913 473 V CB 2.243 34.043 31.823 -0.039 0.000 1.005 473 V HN 0.761 nan 8.190 nan 0.000 0.428 474 c N 2.413 120.989 118.600 -0.040 0.000 2.657 474 c HA 0.314 4.883 4.570 -0.000 0.000 0.404 474 c C 1.964 176.014 174.090 -0.066 0.000 1.291 474 c CA 0.329 56.628 56.329 -0.051 0.000 2.218 474 c CB 0.670 43.161 42.510 -0.030 0.000 2.687 474 c HN 1.041 nan 8.230 nan 0.000 0.634 475 T N -1.707 112.786 114.554 -0.101 0.000 3.060 475 T HA 0.357 4.707 4.350 -0.000 0.000 0.249 475 T C 1.388 176.012 174.700 -0.128 0.000 1.079 475 T CA 0.960 62.994 62.100 -0.109 0.000 1.013 475 T CB 0.050 68.843 68.868 -0.125 0.000 0.975 475 T HN 1.582 nan 8.240 nan 0.000 0.518 476 G N 2.316 111.029 108.800 -0.145 0.000 2.498 476 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.229 476 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.229 476 G C 1.250 175.962 174.900 -0.313 0.000 1.156 476 G CA 0.312 45.337 45.100 -0.125 0.000 0.680 476 G HN 0.541 nan 8.290 nan 0.000 0.512 477 R N 0.550 120.793 120.500 -0.429 0.000 2.265 477 R HA 0.411 4.751 4.340 -0.000 0.000 0.194 477 R C 1.494 177.134 176.300 -1.101 0.000 0.931 477 R CA 0.753 56.471 56.100 -0.637 0.000 1.032 477 R CB 0.363 30.500 30.300 -0.272 0.000 0.980 477 R HN 0.393 nan 8.270 nan 0.000 0.497 478 S N -0.698 114.529 115.700 -0.787 0.000 2.693 478 S HA 0.496 4.966 4.470 -0.000 0.000 0.276 478 S C 0.645 174.938 174.600 -0.513 0.000 1.192 478 S CA -0.241 57.626 58.200 -0.555 0.000 0.994 478 S CB 1.794 64.837 63.200 -0.261 0.000 1.012 478 S HN 0.228 nan 8.310 nan 0.000 0.550 479 A N 1.212 123.960 122.820 -0.120 0.000 2.108 479 A HA 0.321 4.641 4.320 -0.000 0.000 0.206 479 A C 0.579 178.186 177.584 0.039 0.000 1.212 479 A CA 0.081 52.188 52.037 0.116 0.000 0.843 479 A CB -0.416 18.727 19.000 0.239 0.000 0.902 479 A HN 0.890 nan 8.150 nan 0.000 0.477 480 E N -1.524 118.668 120.200 -0.013 0.000 2.280 480 E HA 0.460 4.810 4.350 -0.000 0.000 0.261 480 E C -0.959 175.620 176.600 -0.035 0.000 1.088 480 E CA -0.835 55.555 56.400 -0.016 0.000 0.915 480 E CB 1.291 30.978 29.700 -0.023 0.000 1.141 480 E HN 0.051 nan 8.360 nan 0.000 0.433 481 c N 2.868 121.450 118.600 -0.030 0.000 2.521 481 c HA 0.329 4.899 4.570 -0.000 0.000 0.291 481 c C -0.086 173.971 174.090 -0.056 0.000 1.074 481 c CA -0.288 56.015 56.329 -0.043 0.000 1.495 481 c CB -0.747 41.744 42.510 -0.032 0.000 1.862 481 c HN 0.789 nan 8.230 nan 0.000 0.418 482 T N 3.483 117.997 114.554 -0.067 0.000 2.939 482 T HA -0.043 4.307 4.350 -0.000 0.000 0.312 482 T C -0.090 174.537 174.700 -0.122 0.000 1.064 482 T CA 1.008 63.059 62.100 -0.081 0.000 1.136 482 T CB 0.122 68.943 68.868 -0.079 0.000 1.035 482 T HN 0.722 nan 8.240 nan 0.000 0.538 483 D N 2.010 122.313 120.400 -0.161 0.000 2.233 483 D HA 0.315 4.955 4.640 -0.000 0.000 0.240 483 D C -0.008 175.988 176.300 -0.507 0.000 1.074 483 D CA -0.775 53.045 54.000 -0.300 0.000 0.838 483 D CB 0.715 41.352 40.800 -0.272 0.000 1.124 483 D HN 0.585 nan 8.370 nan 0.000 0.475 484 R N 1.737 121.890 120.500 -0.580 0.000 2.807 484 R HA 0.703 5.043 4.340 -0.000 0.000 0.276 484 R C -0.951 174.918 176.300 -0.718 0.000 0.979 484 R CA -0.745 55.012 56.100 -0.572 0.000 0.928 484 R CB 1.035 31.194 30.300 -0.235 0.000 1.191 484 R HN 0.111 nan 8.270 nan 0.000 0.471 485 F N -0.362 119.570 119.950 -0.030 0.000 2.661 485 F HA 0.380 4.907 4.527 -0.000 0.000 0.347 485 F C 0.673 176.455 175.800 -0.031 0.000 1.086 485 F CA -1.424 56.560 58.000 -0.026 0.000 1.016 485 F CB 0.639 39.620 39.000 -0.031 0.000 1.368 485 F HN 0.252 nan 8.300 nan 0.000 0.505 486 Q N 0.628 120.544 119.800 0.193 0.000 2.584 486 Q HA 0.092 4.432 4.340 -0.000 0.000 0.235 486 Q C -0.026 176.009 176.000 0.058 0.000 1.079 486 Q CA -0.089 55.769 55.803 0.092 0.000 0.977 486 Q CB 0.458 29.245 28.738 0.082 0.000 1.293 486 Q HN 0.552 nan 8.270 nan 0.000 0.553 487 R N 1.430 121.938 120.500 0.013 0.000 2.389 487 R HA 0.061 4.402 4.340 -0.000 0.000 0.295 487 R C -0.321 175.933 176.300 -0.078 0.000 1.075 487 R CA -0.040 56.035 56.100 -0.040 0.000 1.005 487 R CB 0.301 30.575 30.300 -0.044 0.000 0.987 487 R HN 0.554 nan 8.270 nan 0.000 0.452 488 N N 2.110 120.701 118.700 -0.182 0.000 2.359 488 N HA -0.032 4.708 4.740 -0.000 0.000 0.261 488 N C 0.607 175.949 175.510 -0.279 0.000 1.267 488 N CA 1.063 53.942 53.050 -0.285 0.000 0.864 488 N CB 0.526 38.624 38.487 -0.648 0.000 1.063 488 N HN 0.909 nan 8.380 nan 0.000 0.474 489 G N 1.339 110.146 108.800 0.010 0.000 2.255 489 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.196 489 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.196 489 G C 0.088 175.082 174.900 0.157 0.000 0.998 489 G CA -0.454 44.702 45.100 0.093 0.000 0.656 489 G HN 0.609 nan 8.290 nan 0.000 0.490 490 Q N 2.836 122.726 119.800 0.150 0.000 2.271 490 Q HA 0.449 4.789 4.340 -0.000 0.000 0.273 490 Q C -1.910 174.242 176.000 0.253 0.000 1.051 490 Q CA -1.437 54.462 55.803 0.159 0.000 0.901 490 Q CB 0.651 29.449 28.738 0.100 0.000 1.174 490 Q HN 0.336 nan 8.270 nan 0.000 0.385 491 P HA -0.028 nan 4.420 nan 0.000 0.264 491 P C -0.729 176.610 177.300 0.065 0.000 1.193 491 P CA -0.098 63.127 63.100 0.209 0.000 0.763 491 P CB 0.295 32.110 31.700 0.191 0.000 0.810 492 c N 0.593 119.179 118.600 -0.023 0.000 3.154 492 c HA 0.549 5.119 4.570 -0.000 0.000 0.312 492 c C 0.083 174.139 174.090 -0.056 0.000 1.349 492 c CA -1.170 55.150 56.329 -0.016 0.000 1.518 492 c CB 0.743 43.261 42.510 0.014 0.000 1.934 492 c HN 0.621 nan 8.230 nan 0.000 0.462 493 K N 2.015 122.398 120.400 -0.028 0.000 3.730 493 K HA -0.192 4.128 4.320 -0.000 0.000 0.276 493 K C -0.137 176.437 176.600 -0.044 0.000 0.904 493 K CA 1.022 57.290 56.287 -0.032 0.000 0.741 493 K CB -1.441 31.038 32.500 -0.035 0.000 1.542 493 K HN 0.816 nan 8.250 nan 0.000 0.446 494 N N 1.439 120.120 118.700 -0.032 0.000 2.714 494 N HA -0.207 4.533 4.740 -0.000 0.000 0.253 494 N C -0.671 174.808 175.510 -0.052 0.000 1.024 494 N CA 1.214 54.245 53.050 -0.031 0.000 0.726 494 N CB -0.799 37.674 38.487 -0.023 0.000 0.908 494 N HN 0.644 nan 8.380 nan 0.000 0.542 495 N N -0.899 117.756 118.700 -0.075 0.000 2.727 495 N HA -0.197 4.543 4.740 -0.000 0.000 0.249 495 N C 0.121 175.534 175.510 -0.161 0.000 1.048 495 N CA 0.701 53.680 53.050 -0.118 0.000 0.714 495 N CB -0.790 37.665 38.487 -0.053 0.000 0.959 495 N HN 0.586 nan 8.380 nan 0.000 0.544 496 N N -0.683 117.910 118.700 -0.178 0.000 2.273 496 N HA 0.159 4.899 4.740 -0.000 0.000 0.192 496 N C 1.061 176.430 175.510 -0.234 0.000 1.132 496 N CA 0.904 53.858 53.050 -0.160 0.000 0.887 496 N CB 1.291 39.723 38.487 -0.092 0.000 1.048 496 N HN 0.414 nan 8.380 nan 0.000 0.490 497 G N -0.622 107.974 108.800 -0.341 0.000 2.687 497 G HA2 0.607 4.567 3.960 -0.000 0.000 0.291 497 G HA3 0.607 4.567 3.960 -0.000 0.000 0.291 497 G C -2.123 172.430 174.900 -0.579 0.000 1.420 497 G CA -0.452 44.417 45.100 -0.385 0.000 0.796 497 G HN 0.015 nan 8.290 nan 0.000 0.485 498 Y N -0.908 119.431 120.300 0.066 0.000 2.442 498 Y HA 0.421 4.971 4.550 -0.000 0.000 0.344 498 Y C 0.593 176.576 175.900 0.139 0.000 0.976 498 Y CA -0.920 57.244 58.100 0.107 0.000 1.040 498 Y CB 1.951 40.501 38.460 0.150 0.000 1.228 498 Y HN 0.610 nan 8.280 nan 0.000 0.451 499 c N 2.606 121.367 118.600 0.268 0.000 2.634 499 c HA 0.025 4.595 4.570 -0.000 0.000 0.417 499 c C -0.277 173.972 174.090 0.266 0.000 1.334 499 c CA 0.075 56.519 56.329 0.192 0.000 1.829 499 c CB -1.367 41.214 42.510 0.118 0.000 2.665 499 c HN 0.701 nan 8.230 nan 0.000 0.614 500 Y N 2.781 123.112 120.300 0.052 0.000 2.317 500 Y HA 0.288 4.838 4.550 -0.000 0.000 0.325 500 Y C 0.504 176.362 175.900 -0.070 0.000 1.066 500 Y CA -0.792 57.339 58.100 0.051 0.000 1.203 500 Y CB 0.089 38.620 38.460 0.119 0.000 1.127 500 Y HN 0.964 nan 8.280 nan 0.000 0.451 501 N N 4.059 122.460 118.700 -0.498 0.000 2.708 501 N HA -0.280 4.460 4.740 -0.000 0.000 0.249 501 N C 0.908 175.967 175.510 -0.752 0.000 1.097 501 N CA 0.931 53.645 53.050 -0.560 0.000 0.710 501 N CB -0.861 37.245 38.487 -0.634 0.000 1.032 501 N HN 1.217 nan 8.380 nan 0.000 0.551 502 G N -1.199 107.262 108.800 -0.566 0.000 2.238 502 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.217 502 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.217 502 G C 0.065 174.817 174.900 -0.247 0.000 0.996 502 G CA 0.582 45.275 45.100 -0.678 0.000 0.632 502 G HN 0.391 nan 8.290 nan 0.000 0.503 503 K N -0.991 119.318 120.400 -0.151 0.000 2.280 503 K HA 0.694 5.014 4.320 -0.000 0.000 0.234 503 K C -0.624 176.002 176.600 0.044 0.000 1.028 503 K CA -0.343 55.925 56.287 -0.031 0.000 0.882 503 K CB 2.145 34.634 32.500 -0.019 0.000 1.194 503 K HN 0.238 nan 8.250 nan 0.000 0.458 504 c N 3.625 122.249 118.600 0.041 0.000 2.955 504 c HA 0.354 4.924 4.570 -0.000 0.000 0.262 504 c C -2.452 171.656 174.090 0.029 0.000 1.279 504 c CA -2.297 54.060 56.329 0.046 0.000 1.615 504 c CB -0.599 41.924 42.510 0.021 0.000 1.755 504 c HN 0.456 nan 8.230 nan 0.000 0.452 505 P HA 0.115 nan 4.420 nan 0.000 0.260 505 P C -0.483 176.811 177.300 -0.009 0.000 1.207 505 P CA 0.800 63.907 63.100 0.012 0.000 0.780 505 P CB 0.392 32.091 31.700 -0.000 0.000 0.789 506 I N 4.223 124.786 120.570 -0.012 0.000 2.530 506 I HA 0.268 4.438 4.170 -0.000 0.000 0.297 506 I C 1.973 178.090 176.117 0.000 0.000 1.011 506 I CA -1.394 59.896 61.300 -0.017 0.000 1.107 506 I CB 1.649 39.637 38.000 -0.021 0.000 1.285 506 I HN 0.326 nan 8.210 nan 0.000 0.436 507 M N 3.247 122.853 119.600 0.010 0.000 2.229 507 M HA -0.130 4.350 4.480 -0.000 0.000 0.264 507 M C 1.938 178.276 176.300 0.063 0.000 1.063 507 M CA 1.799 57.128 55.300 0.049 0.000 1.114 507 M CB 0.227 32.865 32.600 0.063 0.000 1.387 507 M HN 0.812 nan 8.290 nan 0.000 0.420 508 A N 0.004 122.849 122.820 0.042 0.000 1.929 508 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 508 A C 1.649 179.256 177.584 0.040 0.000 1.176 508 A CA 1.699 53.765 52.037 0.048 0.000 0.628 508 A CB -0.589 18.430 19.000 0.031 0.000 0.816 508 A HN 0.460 nan 8.150 nan 0.000 0.444 509 D N -0.330 120.083 120.400 0.020 0.000 2.183 509 D HA -0.120 4.520 4.640 -0.000 0.000 0.203 509 D C 2.080 178.383 176.300 0.005 0.000 0.969 509 D CA 1.156 55.161 54.000 0.008 0.000 0.842 509 D CB -0.300 40.498 40.800 -0.005 0.000 0.957 509 D HN 0.614 nan 8.370 nan 0.000 0.484 510 Q N -0.020 119.786 119.800 0.011 0.000 2.079 510 Q HA -0.086 4.254 4.340 -0.000 0.000 0.200 510 Q C 2.433 178.448 176.000 0.025 0.000 0.974 510 Q CA 0.918 56.718 55.803 -0.005 0.000 0.840 510 Q CB -0.086 28.652 28.738 0.000 0.000 0.898 510 Q HN 0.264 nan 8.270 nan 0.000 0.430 511 c N 0.361 119.015 118.600 0.090 0.000 2.425 511 c HA -0.111 4.459 4.570 -0.000 0.000 0.277 511 c C 2.494 176.695 174.090 0.185 0.000 1.280 511 c CA 0.490 56.931 56.329 0.187 0.000 1.744 511 c CB -0.759 41.846 42.510 0.159 0.000 1.989 511 c HN 0.486 nan 8.230 nan 0.000 0.491 512 I N 1.113 121.737 120.570 0.091 0.000 2.315 512 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 512 I C 2.688 178.819 176.117 0.023 0.000 1.117 512 I CA 1.505 62.843 61.300 0.063 0.000 1.404 512 I CB -0.486 37.532 38.000 0.029 0.000 1.071 512 I HN 0.272 nan 8.210 nan 0.000 0.419 513 A N 0.637 123.444 122.820 -0.021 0.000 2.015 513 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 513 A C 2.228 179.716 177.584 -0.161 0.000 1.163 513 A CA 1.208 53.195 52.037 -0.085 0.000 0.646 513 A CB -0.454 18.484 19.000 -0.103 0.000 0.806 513 A HN 0.393 nan 8.150 nan 0.000 0.448 514 L N -3.023 118.081 121.223 -0.200 0.000 2.202 514 L HA 0.128 4.468 4.340 -0.000 0.000 0.205 514 L C 1.453 178.034 176.870 -0.483 0.000 1.083 514 L CA 0.740 55.285 54.840 -0.493 0.000 0.790 514 L CB -0.111 41.538 42.059 -0.682 0.000 0.942 514 L HN 0.379 nan 8.230 nan 0.000 0.452 515 F N -0.272 119.688 119.950 0.016 0.000 2.682 515 F HA 0.470 4.997 4.527 -0.000 0.000 0.308 515 F C 1.211 177.008 175.800 -0.004 0.000 1.093 515 F CA 0.035 58.053 58.000 0.030 0.000 1.244 515 F CB 0.335 39.344 39.000 0.016 0.000 1.052 515 F HN 0.054 nan 8.300 nan 0.000 0.573 516 G N 0.873 109.737 108.800 0.106 0.000 2.756 516 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.678 516 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.678 516 G C -2.887 172.042 174.900 0.049 0.000 1.349 516 G CA -1.603 43.529 45.100 0.053 0.000 0.847 516 G HN -0.062 nan 8.290 nan 0.000 0.548 517 P HA 0.323 nan 4.420 nan 0.000 0.263 517 P C 1.196 178.499 177.300 0.006 0.000 1.175 517 P CA 2.387 65.493 63.100 0.010 0.000 0.761 517 P CB 0.531 32.231 31.700 -0.000 0.000 0.794 518 G N 1.903 110.705 108.800 0.003 0.000 2.279 518 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.223 518 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.223 518 G C 0.435 175.321 174.900 -0.022 0.000 1.015 518 G CA -0.063 45.029 45.100 -0.013 0.000 0.621 518 G HN 0.842 nan 8.290 nan 0.000 0.506 519 A N 1.190 124.009 122.820 -0.001 0.000 2.520 519 A HA 0.593 4.913 4.320 -0.000 0.000 0.245 519 A C 0.884 178.489 177.584 0.035 0.000 1.072 519 A CA 1.784 53.820 52.037 -0.001 0.000 0.761 519 A CB -0.045 19.012 19.000 0.094 0.000 1.004 519 A HN 1.877 nan 8.150 nan 0.000 0.499 520 T N -0.673 113.913 114.554 0.054 0.000 2.916 520 T HA 0.611 4.961 4.350 -0.000 0.000 0.292 520 T C -0.308 174.482 174.700 0.149 0.000 1.064 520 T CA -0.824 61.345 62.100 0.116 0.000 1.011 520 T CB 1.039 70.007 68.868 0.166 0.000 1.152 520 T HN 0.564 nan 8.240 nan 0.000 0.510 521 V N 2.423 122.430 119.914 0.154 0.000 2.555 521 V HA 0.290 4.410 4.120 -0.000 0.000 0.286 521 V C 0.973 177.202 176.094 0.225 0.000 1.044 521 V CA -0.433 61.988 62.300 0.202 0.000 1.026 521 V CB 0.890 32.831 31.823 0.195 0.000 0.981 521 V HN 1.079 nan 8.190 nan 0.000 0.480 522 S N 3.631 119.492 115.700 0.269 0.000 2.576 522 S HA 0.143 4.613 4.470 -0.000 0.000 0.272 522 S C 0.270 175.021 174.600 0.251 0.000 1.352 522 S CA -0.543 57.785 58.200 0.213 0.000 1.021 522 S CB 0.360 63.660 63.200 0.167 0.000 0.887 522 S HN 0.883 nan 8.310 nan 0.000 0.542 523 Q N 1.202 121.065 119.800 0.105 0.000 2.421 523 Q HA 0.116 4.456 4.340 -0.000 0.000 0.255 523 Q C -0.168 175.936 176.000 0.173 0.000 1.013 523 Q CA -0.433 55.416 55.803 0.076 0.000 0.895 523 Q CB 0.323 29.050 28.738 -0.019 0.000 1.271 523 Q HN 0.452 nan 8.270 nan 0.000 0.460 524 D N 2.005 122.459 120.400 0.089 0.000 2.126 524 D HA -0.255 4.385 4.640 -0.000 0.000 0.190 524 D C 1.886 178.255 176.300 0.115 0.000 1.001 524 D CA 2.258 56.299 54.000 0.068 0.000 0.841 524 D CB -0.645 40.128 40.800 -0.045 0.000 0.949 524 D HN 0.761 nan 8.370 nan 0.000 0.446 525 A N 0.189 123.018 122.820 0.014 0.000 2.042 525 A HA -0.265 4.055 4.320 -0.000 0.000 0.222 525 A C 2.481 179.990 177.584 -0.125 0.000 1.167 525 A CA 1.582 53.583 52.037 -0.060 0.000 0.649 525 A CB -1.025 17.925 19.000 -0.083 0.000 0.809 525 A HN 0.404 nan 8.150 nan 0.000 0.457 526 c N -2.074 116.485 118.600 -0.067 0.000 2.440 526 c HA -0.029 4.541 4.570 -0.000 0.000 0.278 526 c C 2.209 175.935 174.090 -0.608 0.000 1.295 526 c CA 0.647 56.827 56.329 -0.250 0.000 1.738 526 c CB -1.659 40.721 42.510 -0.216 0.000 1.987 526 c HN 0.668 nan 8.230 nan 0.000 0.492 527 F N 0.796 120.488 119.950 -0.431 0.000 2.546 527 F HA -0.106 4.421 4.527 0.000 0.000 0.298 527 F C 2.469 178.148 175.800 -0.203 0.000 1.120 527 F CA 0.911 58.715 58.000 -0.327 0.000 1.456 527 F CB -0.708 38.265 39.000 -0.044 0.000 1.088 527 F HN 0.275 nan 8.300 nan 0.000 0.572 528 Q N -0.544 119.186 119.800 -0.116 0.000 2.364 528 Q HA -0.166 4.174 4.340 -0.000 0.000 0.209 528 Q C 2.050 177.966 176.000 -0.140 0.000 0.977 528 Q CA 1.115 56.833 55.803 -0.143 0.000 0.885 528 Q CB -0.707 27.883 28.738 -0.246 0.000 0.941 528 Q HN 0.460 nan 8.270 nan 0.000 0.464 529 F N 0.680 120.562 119.950 -0.113 0.000 2.408 529 F HA -0.132 4.395 4.527 0.000 0.000 0.300 529 F C 1.773 177.636 175.800 0.105 0.000 1.090 529 F CA 0.592 58.604 58.000 0.020 0.000 1.427 529 F CB -0.052 39.020 39.000 0.120 0.000 1.070 529 F HN 0.231 nan 8.300 nan 0.000 0.549 530 N N -0.171 118.703 118.700 0.290 0.000 2.457 530 N HA -0.062 4.678 4.740 -0.000 0.000 0.180 530 N C 1.417 177.016 175.510 0.149 0.000 1.050 530 N CA 0.068 53.264 53.050 0.242 0.000 0.906 530 N CB 0.002 38.651 38.487 0.271 0.000 0.968 530 N HN 0.256 nan 8.380 nan 0.000 0.445 531 R N 0.589 121.152 120.500 0.105 0.000 2.299 531 R HA 0.044 4.384 4.340 -0.000 0.000 0.197 531 R C 1.069 177.404 176.300 0.058 0.000 0.971 531 R CA 0.421 56.560 56.100 0.065 0.000 1.030 531 R CB 0.226 30.543 30.300 0.028 0.000 0.932 531 R HN 0.244 nan 8.270 nan 0.000 0.477 532 E N -0.021 120.223 120.200 0.074 0.000 2.107 532 E HA -0.043 4.307 4.350 -0.000 0.000 0.191 532 E C 1.421 178.042 176.600 0.035 0.000 0.982 532 E CA 1.086 57.517 56.400 0.052 0.000 0.809 532 E CB -0.096 29.641 29.700 0.062 0.000 0.756 532 E HN 0.445 nan 8.360 nan 0.000 0.459 533 G N 2.625 111.460 108.800 0.059 0.000 2.153 533 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.252 533 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.252 533 G C 0.292 175.198 174.900 0.009 0.000 0.994 533 G CA 0.714 45.853 45.100 0.064 0.000 0.698 533 G HN 0.462 nan 8.290 nan 0.000 0.521 534 N N -1.309 117.365 118.700 -0.043 0.000 2.332 534 N HA 0.211 4.951 4.740 -0.000 0.000 0.285 534 N C 1.348 176.815 175.510 -0.072 0.000 1.292 534 N CA 0.322 53.313 53.050 -0.098 0.000 0.947 534 N CB -0.193 38.166 38.487 -0.213 0.000 1.084 534 N HN 0.096 nan 8.380 nan 0.000 0.529 535 H N -1.201 117.780 119.070 -0.149 0.000 2.422 535 H HA -0.159 4.397 4.556 -0.000 0.000 0.298 535 H C 0.713 176.104 175.328 0.104 0.000 1.098 535 H CA 2.126 58.151 56.048 -0.038 0.000 1.315 535 H CB 0.167 29.908 29.762 -0.035 0.000 1.382 535 H HN 0.798 nan 8.280 nan 0.000 0.523 536 Y N -2.400 118.043 120.300 0.239 0.000 2.526 536 Y HA 0.417 4.967 4.550 -0.000 0.000 0.265 536 Y C 1.405 177.347 175.900 0.071 0.000 1.092 536 Y CA -0.016 58.183 58.100 0.164 0.000 1.277 536 Y CB -0.292 38.172 38.460 0.008 0.000 1.228 536 Y HN 0.008 nan 8.280 nan 0.000 0.507 537 G N 1.671 110.253 108.800 -0.365 0.000 2.696 537 G HA2 0.460 4.420 3.960 -0.000 0.000 0.329 537 G HA3 0.460 4.420 3.960 -0.000 0.000 0.329 537 G C -1.236 173.729 174.900 0.108 0.000 0.973 537 G CA -0.199 44.875 45.100 -0.044 0.000 1.257 537 G HN 0.512 nan 8.290 nan 0.000 0.456 538 Y N -1.489 118.847 120.300 0.059 0.000 2.840 538 Y HA 0.590 5.140 4.550 -0.000 0.000 0.324 538 Y C 0.168 176.113 175.900 0.074 0.000 1.378 538 Y CA -1.269 56.858 58.100 0.044 0.000 1.077 538 Y CB 0.644 39.105 38.460 0.001 0.000 1.361 538 Y HN 0.083 nan 8.280 nan 0.000 0.459 539 c N -0.040 118.721 118.600 0.268 0.000 2.800 539 c HA 0.492 5.062 4.570 -0.000 0.000 0.379 539 c C 0.306 174.528 174.090 0.220 0.000 1.304 539 c CA 0.771 57.194 56.329 0.156 0.000 1.960 539 c CB -0.223 42.355 42.510 0.114 0.000 2.599 539 c HN 0.884 nan 8.230 nan 0.000 0.578 540 R N -0.474 120.228 120.500 0.336 0.000 2.764 540 R HA 0.471 4.811 4.340 -0.000 0.000 0.276 540 R C -1.997 174.376 176.300 0.121 0.000 1.021 540 R CA -0.733 55.510 56.100 0.237 0.000 0.870 540 R CB 0.744 31.111 30.300 0.112 0.000 1.293 540 R HN -0.042 nan 8.270 nan 0.000 0.469 541 K N 0.045 120.466 120.400 0.035 0.000 2.316 541 K HA 0.268 4.588 4.320 -0.000 0.000 0.251 541 K C -0.110 176.472 176.600 -0.030 0.000 0.934 541 K CA -0.935 55.314 56.287 -0.065 0.000 0.802 541 K CB 2.109 34.551 32.500 -0.096 0.000 1.171 541 K HN 0.518 nan 8.250 nan 0.000 0.426 542 E N 1.300 121.474 120.200 -0.042 0.000 2.122 542 E HA -0.080 4.270 4.350 -0.000 0.000 0.190 542 E C 0.667 177.252 176.600 -0.025 0.000 0.977 542 E CA 1.415 57.800 56.400 -0.025 0.000 0.820 542 E CB 0.517 30.202 29.700 -0.025 0.000 0.770 542 E HN 0.561 nan 8.360 nan 0.000 0.462 543 Q N -2.042 117.736 119.800 -0.037 0.000 2.340 543 Q HA 0.178 4.518 4.340 -0.000 0.000 0.173 543 Q C 0.718 176.691 176.000 -0.045 0.000 0.692 543 Q CA 0.013 55.797 55.803 -0.032 0.000 0.904 543 Q CB 0.824 29.546 28.738 -0.027 0.000 1.228 543 Q HN 0.024 nan 8.270 nan 0.000 0.387 544 N N -0.188 118.474 118.700 -0.062 0.000 1.900 544 N HA 0.013 4.753 4.740 -0.000 0.000 0.227 544 N C -0.586 174.854 175.510 -0.117 0.000 1.411 544 N CA 0.267 53.269 53.050 -0.081 0.000 0.780 544 N CB 1.725 40.179 38.487 -0.056 0.000 1.082 544 N HN 0.017 nan 8.380 nan 0.000 0.505 545 T N 1.378 115.867 114.554 -0.108 0.000 2.743 545 T HA 0.286 4.636 4.350 -0.000 0.000 0.293 545 T C -0.160 174.431 174.700 -0.181 0.000 0.945 545 T CA -0.180 61.846 62.100 -0.123 0.000 1.030 545 T CB 0.404 69.226 68.868 -0.077 0.000 0.912 545 T HN -0.095 nan 8.240 nan 0.000 0.483 546 K N 5.112 125.348 120.400 -0.272 0.000 2.339 546 K HA 0.313 4.633 4.320 -0.000 0.000 0.286 546 K C -0.113 176.385 176.600 -0.170 0.000 1.050 546 K CA -0.500 55.540 56.287 -0.412 0.000 0.956 546 K CB 0.490 32.571 32.500 -0.699 0.000 0.990 546 K HN 0.516 nan 8.250 nan 0.000 0.475 547 I N 3.248 123.777 120.570 -0.069 0.000 2.312 547 I HA 0.182 4.352 4.170 -0.000 0.000 0.290 547 I C 0.695 176.871 176.117 0.098 0.000 1.008 547 I CA -0.851 60.460 61.300 0.018 0.000 1.226 547 I CB 0.597 38.611 38.000 0.023 0.000 1.371 547 I HN 0.655 nan 8.210 nan 0.000 0.468 548 A N 5.953 128.821 122.820 0.080 0.000 2.520 548 A HA 0.149 4.469 4.320 -0.000 0.000 0.235 548 A C 0.451 178.089 177.584 0.091 0.000 1.065 548 A CA -0.079 52.019 52.037 0.101 0.000 0.764 548 A CB 0.016 19.055 19.000 0.064 0.000 1.002 548 A HN 0.826 nan 8.150 nan 0.000 0.502 549 c N 1.756 120.417 118.600 0.101 0.000 2.657 549 c HA 0.302 4.872 4.570 -0.000 0.000 0.404 549 c C 0.913 175.035 174.090 0.054 0.000 1.291 549 c CA -0.588 55.790 56.329 0.082 0.000 2.218 549 c CB -0.376 42.192 42.510 0.097 0.000 2.687 549 c HN 0.817 nan 8.230 nan 0.000 0.634 550 E N 1.884 122.108 120.200 0.040 0.000 2.349 550 E HA 0.145 4.495 4.350 -0.000 0.000 0.262 550 E C -1.559 175.053 176.600 0.020 0.000 1.088 550 E CA -1.459 54.955 56.400 0.023 0.000 0.899 550 E CB 0.356 30.065 29.700 0.015 0.000 1.044 550 E HN 0.359 nan 8.360 nan 0.000 0.420 551 P HA -0.217 nan 4.420 nan 0.000 0.217 551 P C 1.219 178.517 177.300 -0.003 0.000 1.148 551 P CA 1.547 64.648 63.100 0.001 0.000 0.828 551 P CB 0.268 31.964 31.700 -0.007 0.000 0.783 552 Q N -1.408 118.390 119.800 -0.004 0.000 2.424 552 Q HA -0.040 4.300 4.340 -0.000 0.000 0.204 552 Q C 0.508 176.502 176.000 -0.010 0.000 0.933 552 Q CA 1.220 57.016 55.803 -0.011 0.000 0.929 552 Q CB -0.446 28.285 28.738 -0.013 0.000 1.037 552 Q HN 0.275 nan 8.270 nan 0.000 0.511 553 D N 0.859 121.263 120.400 0.006 0.000 2.369 553 D HA 0.091 4.731 4.640 -0.000 0.000 0.211 553 D C 1.702 178.028 176.300 0.043 0.000 1.077 553 D CA -0.013 53.996 54.000 0.014 0.000 0.842 553 D CB 0.714 41.526 40.800 0.020 0.000 0.947 553 D HN 0.001 nan 8.370 nan 0.000 0.509 554 V N 1.515 121.460 119.914 0.052 0.000 2.313 554 V HA -0.269 3.851 4.120 -0.000 0.000 0.253 554 V C 2.162 178.367 176.094 0.185 0.000 1.070 554 V CA 1.609 63.979 62.300 0.116 0.000 1.057 554 V CB -0.331 31.546 31.823 0.090 0.000 0.653 554 V HN 0.185 nan 8.190 nan 0.000 0.450 555 K N -1.104 119.318 120.400 0.038 0.000 2.551 555 K HA 0.047 4.367 4.320 -0.000 0.000 0.192 555 K C 1.230 177.879 176.600 0.081 0.000 1.027 555 K CA 0.580 56.846 56.287 -0.035 0.000 1.059 555 K CB -0.269 32.096 32.500 -0.226 0.000 0.831 555 K HN 0.522 nan 8.250 nan 0.000 0.508 556 c N -0.502 118.157 118.600 0.098 0.000 3.243 556 c HA 0.243 4.813 4.570 -0.000 0.000 0.286 556 c C 1.585 175.718 174.090 0.072 0.000 1.373 556 c CA -0.730 55.636 56.329 0.062 0.000 1.749 556 c CB -0.218 42.298 42.510 0.010 0.000 2.313 556 c HN 0.478 nan 8.230 nan 0.000 0.644 557 G N 0.590 109.463 108.800 0.122 0.000 3.329 557 G HA2 0.360 4.320 3.960 -0.000 0.000 0.180 557 G HA3 0.360 4.320 3.960 -0.000 0.000 0.180 557 G C -0.091 174.805 174.900 -0.006 0.000 1.640 557 G CA -0.219 44.904 45.100 0.038 0.000 1.018 557 G HN 0.300 nan 8.290 nan 0.000 0.581 558 R N -0.272 120.189 120.500 -0.064 0.000 2.491 558 R HA 0.333 4.673 4.340 -0.000 0.000 0.283 558 R C -0.390 175.798 176.300 -0.187 0.000 1.072 558 R CA -0.512 55.479 56.100 -0.181 0.000 1.048 558 R CB 0.370 30.508 30.300 -0.270 0.000 0.983 558 R HN 0.260 nan 8.270 nan 0.000 0.450 559 L N 5.507 126.622 121.223 -0.180 0.000 2.331 559 L HA 0.307 4.647 4.340 -0.000 0.000 0.278 559 L C -1.410 175.222 176.870 -0.395 0.000 1.106 559 L CA 0.084 54.872 54.840 -0.087 0.000 0.824 559 L CB 0.344 42.430 42.059 0.044 0.000 1.142 559 L HN 0.578 nan 8.230 nan 0.000 0.443 560 Y N 4.234 124.290 120.300 -0.405 0.000 2.328 560 Y HA 0.527 5.077 4.550 -0.000 0.000 0.337 560 Y C 0.283 176.092 175.900 -0.151 0.000 0.966 560 Y CA -0.416 57.461 58.100 -0.372 0.000 1.136 560 Y CB 1.358 39.418 38.460 -0.667 0.000 1.170 560 Y HN 0.609 nan 8.280 nan 0.000 0.470 561 c N 3.060 121.634 118.600 -0.044 0.000 2.630 561 c HA 0.636 5.206 4.570 -0.000 0.000 0.346 561 c C -0.858 173.174 174.090 -0.098 0.000 1.245 561 c CA -1.210 55.071 56.329 -0.079 0.000 1.804 561 c CB 1.508 43.878 42.510 -0.233 0.000 2.279 561 c HN 0.754 nan 8.230 nan 0.000 0.498 562 F N 3.612 123.437 119.950 -0.208 0.000 2.612 562 F HA 0.509 5.036 4.527 -0.000 0.000 0.332 562 F C -2.562 173.145 175.800 -0.155 0.000 1.167 562 F CA -2.449 55.447 58.000 -0.173 0.000 0.970 562 F CB 1.680 40.638 39.000 -0.070 0.000 1.234 562 F HN 0.363 nan 8.300 nan 0.000 0.453 563 P HA 0.062 nan 4.420 nan 0.000 0.274 563 P C -0.881 175.837 177.300 -0.970 0.000 1.291 563 P CA 0.019 62.754 63.100 -0.608 0.000 0.815 563 P CB 0.551 32.008 31.700 -0.404 0.000 0.897 564 N N 3.061 121.414 118.700 -0.579 0.000 2.406 564 N HA 0.163 4.903 4.740 -0.000 0.000 0.269 564 N C -0.404 174.994 175.510 -0.187 0.000 1.210 564 N CA 0.386 53.242 53.050 -0.323 0.000 0.966 564 N CB -0.040 38.470 38.487 0.038 0.000 1.293 564 N HN 0.393 nan 8.380 nan 0.000 0.491 565 S N 2.128 117.714 115.700 -0.189 0.000 2.615 565 S HA 0.521 4.991 4.470 -0.000 0.000 0.269 565 S C -2.208 172.388 174.600 -0.006 0.000 1.161 565 S CA -1.020 57.132 58.200 -0.080 0.000 0.817 565 S CB 1.411 64.544 63.200 -0.111 0.000 1.131 565 S HN 0.164 nan 8.310 nan 0.000 0.467 566 P HA 0.038 nan 4.420 nan 0.000 0.217 566 P C 0.976 178.294 177.300 0.029 0.000 1.151 566 P CA 1.093 64.212 63.100 0.032 0.000 0.828 566 P CB 0.057 31.768 31.700 0.019 0.000 0.788 567 E N 0.050 120.251 120.200 0.001 0.000 1.992 567 E HA -0.162 4.188 4.350 -0.000 0.000 0.202 567 E C 0.898 177.503 176.600 0.008 0.000 1.007 567 E CA 0.467 56.865 56.400 -0.003 0.000 0.857 567 E CB -1.102 28.584 29.700 -0.024 0.000 0.796 567 E HN 0.135 nan 8.360 nan 0.000 0.486 568 N N 1.693 120.377 118.700 -0.027 0.000 1.960 568 N HA -0.197 4.543 4.740 -0.000 0.000 0.299 568 N C -0.025 175.551 175.510 0.110 0.000 1.267 568 N CA 0.842 53.886 53.050 -0.010 0.000 0.802 568 N CB 0.373 38.767 38.487 -0.155 0.000 1.031 568 N HN 0.272 nan 8.380 nan 0.000 0.490 569 K N 0.468 120.929 120.400 0.101 0.000 2.469 569 K HA 0.232 4.552 4.320 -0.000 0.000 0.204 569 K C -0.716 175.953 176.600 0.114 0.000 1.047 569 K CA -0.461 55.893 56.287 0.111 0.000 1.072 569 K CB 0.208 32.741 32.500 0.056 0.000 0.863 569 K HN 0.286 nan 8.250 nan 0.000 0.530 570 N N 2.775 121.569 118.700 0.157 0.000 2.518 570 N HA 0.150 4.890 4.740 -0.000 0.000 0.254 570 N C -2.204 173.423 175.510 0.196 0.000 0.979 570 N CA -1.604 51.518 53.050 0.120 0.000 0.930 570 N CB 1.843 40.366 38.487 0.060 0.000 1.152 570 N HN -0.021 nan 8.380 nan 0.000 0.505 571 P HA -0.043 nan 4.420 nan 0.000 0.220 571 P C -0.039 177.305 177.300 0.074 0.000 1.148 571 P CA 0.651 63.717 63.100 -0.057 0.000 0.803 571 P CB 0.293 31.897 31.700 -0.159 0.000 0.782 572 c N 1.624 120.281 118.600 0.096 0.000 2.303 572 c HA 0.545 5.115 4.570 -0.000 0.000 0.326 572 c C 0.120 174.246 174.090 0.061 0.000 1.285 572 c CA -0.735 55.671 56.329 0.128 0.000 1.675 572 c CB 0.053 42.676 42.510 0.189 0.000 2.289 572 c HN 0.209 nan 8.230 nan 0.000 0.512 573 N N 2.108 120.821 118.700 0.022 0.000 2.308 573 N HA 0.686 5.426 4.740 -0.000 0.000 0.283 573 N C -1.228 174.188 175.510 -0.157 0.000 1.105 573 N CA -0.383 52.595 53.050 -0.120 0.000 0.840 573 N CB 2.397 40.742 38.487 -0.237 0.000 1.633 573 N HN 0.724 nan 8.380 nan 0.000 0.476 574 I N -1.583 118.906 120.570 -0.134 0.000 2.892 574 I HA 0.558 4.728 4.170 -0.000 0.000 0.306 574 I C -1.207 175.054 176.117 0.240 0.000 1.078 574 I CA -0.910 60.346 61.300 -0.074 0.000 1.032 574 I CB 1.513 39.294 38.000 -0.365 0.000 1.229 574 I HN 0.407 nan 8.210 nan 0.000 0.435 575 Y N 4.624 125.017 120.300 0.156 0.000 2.331 575 Y HA 0.646 5.196 4.550 0.000 0.000 0.338 575 Y C -1.706 174.230 175.900 0.060 0.000 0.976 575 Y CA -0.713 57.414 58.100 0.045 0.000 1.137 575 Y CB 1.009 39.357 38.460 -0.186 0.000 1.172 575 Y HN 0.685 nan 8.280 nan 0.000 0.478 576 Y N 4.143 124.360 120.300 -0.138 0.000 2.492 576 Y HA 0.575 5.125 4.550 -0.000 0.000 0.346 576 Y C -1.326 174.521 175.900 -0.089 0.000 0.997 576 Y CA -0.716 57.370 58.100 -0.022 0.000 1.025 576 Y CB 1.875 40.340 38.460 0.007 0.000 1.263 576 Y HN 0.533 nan 8.280 nan 0.000 0.454 577 S N 6.519 121.761 115.700 -0.764 0.000 2.605 577 S HA 0.442 4.912 4.470 -0.000 0.000 0.308 577 S C -2.478 171.659 174.600 -0.772 0.000 1.113 577 S CA -1.735 56.140 58.200 -0.542 0.000 1.049 577 S CB 1.631 64.691 63.200 -0.234 0.000 1.001 577 S HN 0.584 nan 8.310 nan 0.000 0.480 578 P HA 0.018 nan 4.420 nan 0.000 0.225 578 P C 0.520 177.767 177.300 -0.088 0.000 1.148 578 P CA 0.993 64.051 63.100 -0.071 0.000 0.779 578 P CB -0.010 31.752 31.700 0.103 0.000 0.780 579 N N -1.331 117.295 118.700 -0.125 0.000 2.250 579 N HA -0.059 4.681 4.740 -0.000 0.000 0.181 579 N C 0.365 175.818 175.510 -0.095 0.000 1.017 579 N CA 0.670 53.668 53.050 -0.088 0.000 0.866 579 N CB 0.048 38.485 38.487 -0.083 0.000 0.985 579 N HN 0.013 nan 8.380 nan 0.000 0.429 580 D N -0.215 120.100 120.400 -0.141 0.000 2.365 580 D HA 0.072 4.712 4.640 -0.000 0.000 0.235 580 D C -0.368 175.843 176.300 -0.150 0.000 1.368 580 D CA -0.116 53.819 54.000 -0.108 0.000 1.001 580 D CB 0.812 41.563 40.800 -0.081 0.000 1.364 580 D HN 0.034 nan 8.370 nan 0.000 0.577 581 E N 1.247 121.389 120.200 -0.096 0.000 2.409 581 E HA -0.146 4.204 4.350 -0.000 0.000 0.198 581 E C 0.690 177.335 176.600 0.075 0.000 1.024 581 E CA 0.435 56.825 56.400 -0.017 0.000 0.861 581 E CB 0.511 30.314 29.700 0.171 0.000 0.788 581 E HN 0.350 nan 8.360 nan 0.000 0.521 582 D N 1.367 121.786 120.400 0.033 0.000 2.234 582 D HA -0.082 4.558 4.640 -0.000 0.000 0.205 582 D C 0.556 176.851 176.300 -0.009 0.000 0.962 582 D CA 0.555 54.576 54.000 0.035 0.000 0.855 582 D CB 0.112 40.925 40.800 0.021 0.000 0.951 582 D HN -0.147 nan 8.370 nan 0.000 0.500 583 K N -0.385 119.994 120.400 -0.034 0.000 2.412 583 K HA 0.332 4.652 4.320 -0.000 0.000 0.284 583 K C 0.776 177.372 176.600 -0.007 0.000 1.046 583 K CA 0.923 57.182 56.287 -0.046 0.000 0.999 583 K CB 0.174 32.653 32.500 -0.035 0.000 0.941 583 K HN 0.107 nan 8.250 nan 0.000 0.474 584 G N 3.441 112.197 108.800 -0.073 0.000 2.179 584 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.220 584 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.220 584 G C -0.108 174.768 174.900 -0.040 0.000 0.990 584 G CA -0.056 45.020 45.100 -0.039 0.000 0.646 584 G HN 0.461 nan 8.290 nan 0.000 0.517 585 M N 1.156 120.726 119.600 -0.051 0.000 2.288 585 M HA 0.454 4.934 4.480 -0.000 0.000 0.334 585 M C 1.148 177.427 176.300 -0.036 0.000 1.150 585 M CA -0.660 54.604 55.300 -0.060 0.000 1.118 585 M CB 1.283 33.847 32.600 -0.060 0.000 1.501 585 M HN -0.044 nan 8.290 nan 0.000 0.462 586 V N 3.754 123.666 119.914 -0.003 0.000 2.720 586 V HA -0.071 4.049 4.120 -0.000 0.000 0.307 586 V C 0.690 176.767 176.094 -0.029 0.000 1.071 586 V CA -0.003 62.307 62.300 0.016 0.000 1.199 586 V CB -0.397 31.462 31.823 0.060 0.000 0.900 586 V HN 0.609 nan 8.190 nan 0.000 0.494 587 L N 7.816 129.012 121.223 -0.045 0.000 2.426 587 L HA 0.280 4.620 4.340 -0.000 0.000 0.271 587 L C -1.773 175.013 176.870 -0.139 0.000 1.169 587 L CA -1.556 53.239 54.840 -0.075 0.000 0.836 587 L CB 0.541 42.561 42.059 -0.065 0.000 1.112 587 L HN 0.470 nan 8.230 nan 0.000 0.465 588 P HA 0.016 nan 4.420 nan 0.000 0.268 588 P C 0.658 177.528 177.300 -0.716 0.000 1.204 588 P CA 0.544 63.434 63.100 -0.350 0.000 0.768 588 P CB 1.038 32.586 31.700 -0.254 0.000 0.842 589 G N 1.748 110.141 108.800 -0.678 0.000 2.175 589 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.244 589 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.244 589 G C 0.212 174.988 174.900 -0.207 0.000 0.982 589 G CA -0.024 44.697 45.100 -0.632 0.000 0.641 589 G HN 0.633 nan 8.290 nan 0.000 0.527 590 T N 1.400 115.849 114.554 -0.175 0.000 2.814 590 T HA 0.391 4.741 4.350 -0.000 0.000 0.297 590 T C 0.582 175.268 174.700 -0.023 0.000 0.956 590 T CA 0.207 62.266 62.100 -0.068 0.000 1.123 590 T CB 1.372 70.205 68.868 -0.058 0.000 0.902 590 T HN 0.480 nan 8.240 nan 0.000 0.528 591 K N 2.251 122.662 120.400 0.018 0.000 2.453 591 K HA 0.029 4.349 4.320 -0.000 0.000 0.280 591 K C 0.832 177.432 176.600 0.001 0.000 1.045 591 K CA -0.261 56.064 56.287 0.063 0.000 1.059 591 K CB -0.120 32.342 32.500 -0.062 0.000 0.901 591 K HN 0.861 nan 8.250 nan 0.000 0.475 592 c N 2.383 120.987 118.600 0.007 0.000 3.183 592 c HA 0.730 5.300 4.570 -0.000 0.000 0.285 592 c C 0.419 174.481 174.090 -0.047 0.000 1.313 592 c CA -0.161 56.138 56.329 -0.050 0.000 1.711 592 c CB -1.178 41.297 42.510 -0.058 0.000 2.135 592 c HN 0.786 nan 8.230 nan 0.000 0.651 593 A N 0.212 123.037 122.820 0.009 0.000 2.402 593 A HA 0.471 4.791 4.320 -0.000 0.000 0.295 593 A C -1.902 175.733 177.584 0.086 0.000 1.001 593 A CA -0.373 51.671 52.037 0.011 0.000 0.592 593 A CB -0.649 18.343 19.000 -0.013 0.000 1.404 593 A HN 0.131 nan 8.150 nan 0.000 0.493 594 D N 0.649 121.090 120.400 0.068 0.000 2.450 594 D HA 0.390 5.030 4.640 -0.000 0.000 0.247 594 D C 0.883 177.253 176.300 0.117 0.000 1.162 594 D CA 1.159 55.230 54.000 0.118 0.000 0.879 594 D CB -0.045 40.795 40.800 0.066 0.000 1.163 594 D HN 0.605 nan 8.370 nan 0.000 0.472 595 R N 1.092 121.707 120.500 0.193 0.000 3.758 595 R HA -0.221 4.119 4.340 -0.000 0.000 0.299 595 R C -0.338 175.863 176.300 -0.165 0.000 1.182 595 R CA 0.854 56.900 56.100 -0.091 0.000 0.809 595 R CB -1.565 28.704 30.300 -0.051 0.000 1.249 595 R HN 0.477 nan 8.270 nan 0.000 0.497 596 K N -0.405 119.975 120.400 -0.034 0.000 2.498 596 K HA 0.801 5.121 4.320 -0.000 0.000 0.254 596 K C -0.973 175.634 176.600 0.012 0.000 0.933 596 K CA -0.267 55.985 56.287 -0.058 0.000 0.806 596 K CB 2.556 35.037 32.500 -0.032 0.000 1.301 596 K HN 0.142 nan 8.250 nan 0.000 0.432 597 A N 1.078 123.832 122.820 -0.110 0.000 2.566 597 A HA 0.581 4.901 4.320 -0.000 0.000 0.292 597 A C -0.983 176.473 177.584 -0.214 0.000 1.112 597 A CA -0.695 51.273 52.037 -0.115 0.000 0.707 597 A CB 0.999 19.919 19.000 -0.133 0.000 1.302 597 A HN 0.802 nan 8.150 nan 0.000 0.409 598 c N 0.703 119.189 118.600 -0.190 0.000 2.585 598 c HA 0.547 5.117 4.570 -0.000 0.000 0.406 598 c C 1.839 175.781 174.090 -0.248 0.000 1.312 598 c CA 0.410 56.632 56.329 -0.179 0.000 1.924 598 c CB 0.543 42.980 42.510 -0.122 0.000 2.578 598 c HN 0.985 nan 8.230 nan 0.000 0.580 599 S N 1.328 116.918 115.700 -0.182 0.000 2.783 599 S HA 0.172 4.642 4.470 -0.000 0.000 0.205 599 S C 0.730 175.288 174.600 -0.069 0.000 0.910 599 S CA 0.436 58.547 58.200 -0.148 0.000 0.861 599 S CB 0.102 63.231 63.200 -0.119 0.000 0.830 599 S HN 0.847 nan 8.310 nan 0.000 0.630 600 N N 0.603 119.279 118.700 -0.039 0.000 2.646 600 N HA 0.311 5.051 4.740 -0.000 0.000 0.303 600 N C 0.047 175.560 175.510 0.005 0.000 1.921 600 N CA 0.610 53.656 53.050 -0.006 0.000 0.872 600 N CB 1.041 39.534 38.487 0.010 0.000 1.327 600 N HN 0.612 nan 8.380 nan 0.000 0.492 601 G N 0.929 109.727 108.800 -0.004 0.000 2.141 601 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.231 601 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.231 601 G C -0.120 174.786 174.900 0.010 0.000 0.984 601 G CA -0.171 44.941 45.100 0.019 0.000 0.660 601 G HN 0.408 nan 8.290 nan 0.000 0.525 602 Q N -0.917 118.872 119.800 -0.017 0.000 2.375 602 Q HA 0.544 4.884 4.340 -0.000 0.000 0.271 602 Q C -0.479 175.489 176.000 -0.054 0.000 1.074 602 Q CA -0.695 55.093 55.803 -0.025 0.000 0.808 602 Q CB 2.663 31.387 28.738 -0.023 0.000 1.327 602 Q HN 0.370 nan 8.270 nan 0.000 0.441 603 c N 3.535 122.106 118.600 -0.048 0.000 2.373 603 c HA 0.655 5.225 4.570 -0.000 0.000 0.354 603 c C 0.080 174.126 174.090 -0.074 0.000 1.249 603 c CA -0.182 56.108 56.329 -0.066 0.000 1.784 603 c CB -1.169 41.312 42.510 -0.049 0.000 2.408 603 c HN 0.605 nan 8.230 nan 0.000 0.542 604 V N 3.848 123.695 119.914 -0.112 0.000 3.141 604 V HA 0.638 4.758 4.120 -0.000 0.000 0.312 604 V C -0.532 175.485 176.094 -0.128 0.000 1.157 604 V CA -0.712 61.524 62.300 -0.107 0.000 1.041 604 V CB 1.564 33.322 31.823 -0.109 0.000 1.071 604 V HN 0.627 nan 8.190 nan 0.000 0.441 605 D N 1.464 121.812 120.400 -0.087 0.000 2.450 605 D HA 0.186 4.826 4.640 -0.000 0.000 0.247 605 D C 1.291 177.551 176.300 -0.066 0.000 1.162 605 D CA 0.622 54.574 54.000 -0.080 0.000 0.879 605 D CB 1.810 42.587 40.800 -0.040 0.000 1.163 605 D HN 0.857 nan 8.370 nan 0.000 0.472 606 V N 0.841 120.686 119.914 -0.116 0.000 3.305 606 V HA -0.101 4.019 4.120 -0.000 0.000 0.269 606 V C 1.430 177.583 176.094 0.099 0.000 1.157 606 V CA 0.979 63.303 62.300 0.041 0.000 1.157 606 V CB -0.660 30.959 31.823 -0.340 0.000 0.772 606 V HN 0.388 nan 8.190 nan 0.000 0.498 607 T N 0.282 114.841 114.554 0.009 0.000 3.148 607 T HA 0.085 4.435 4.350 -0.000 0.000 0.253 607 T C 0.785 175.508 174.700 0.038 0.000 1.134 607 T CA 0.914 63.019 62.100 0.009 0.000 1.051 607 T CB -0.263 68.597 68.868 -0.014 0.000 0.959 607 T HN 0.591 nan 8.240 nan 0.000 0.525 608 T N 3.971 118.578 114.554 0.088 0.000 2.743 608 T HA 0.351 4.701 4.350 -0.000 0.000 0.292 608 T C -2.537 172.260 174.700 0.162 0.000 0.972 608 T CA -1.425 60.731 62.100 0.092 0.000 0.967 608 T CB 1.231 70.145 68.868 0.076 0.000 0.926 608 T HN -0.057 nan 8.240 nan 0.000 0.459 609 P HA 0.024 nan 4.420 nan 0.000 0.259 609 P C -1.019 176.362 177.300 0.135 0.000 1.155 609 P CA 0.498 63.614 63.100 0.027 0.000 0.759 609 P CB -0.039 31.666 31.700 0.009 0.000 0.753 610 Y N 0.000 120.324 120.300 0.040 0.000 2.660 610 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 610 Y CA 0.000 58.145 58.100 0.075 0.000 1.940 610 Y CB 0.000 38.516 38.460 0.093 0.000 1.050 610 Y HN 0.000 nan 8.280 nan 0.000 0.758