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 1xd4_1_B DATA FIRST_RESID 198 DATA SEQUENCE EQTYYDLVKA FMAEIRQYIR ELNLIIKVFR EPFVSNSKLF SANDVENIFS DATA SEQUENCE RIVDIHELSV KLLGHIEDTV EMTDEGSPHP LVGSCFEDLA EELAFDPYES DATA SEQUENCE YARDILRPGF HDRFLSQLSK PGAALYLQSI GEGFKEAVQY VLPRLLLAPV DATA SEQUENCE YHCLHYFELL KQLEEKSEDQ EDKECLKQAI TALLNVQSGM EKICSKSLAK DATA SEQUENCE RRLSESAXXX XXXXXXXXXX AIKKMNEIQK NIDGWEGKDI GQCCNEFIME DATA SEQUENCE GTLTRVGAKH ERHIFLFDGL MICCKSNHGQ PRLPGASNAE YRLKEKFFMR DATA SEQUENCE KVQINDKDDT NEYKHAFEII LKDENSVIFS AKSAEEKNNW MAALISLQYR DATA SEQUENCE STLERMLDVT MLQEEKEEQM RLPSADVYRF AEPDSEENII FEEXXXXXXG DATA SEQUENCE IPIIKAGTVI KLIERLTYHM YADPNFVRTF LTTYRSFCKP QELLSLIIER DATA SEQUENCE FEIPEPEPTE ADRIAIENGD QPLSAELKRF RKEYIQPVQL RVLNVCRHWV DATA SEQUENCE EHHFYDFERD AYLLQRMEEF IGTVRGKAMK KWVESITKII QRKKIAXXXX DATA SEQUENCE XXHNITFQSS PPTVEWHISR PGHIETFDLL TLHPIEIARQ LTLLESDLYR DATA SEQUENCE AVQPSELVGS VWTKEDKEIN SPNLLKMIRH TTNLTLWFEK CIVETENLEE DATA SEQUENCE RVAVVSRIIE ILQVFQELNN FNGVLEVVSA MNSSPVYRLD HTFEQIPSRQ DATA SEQUENCE KKILEEAHEL SEDHYKKYLA KLRSINPPCV PFFGIYLTNI LKTEEGNPEV DATA SEQUENCE LKRHGKELIN FSKRRKVAEI TGEIQQYQNQ PYCLRVESDI KRFFENLNPM DATA SEQUENCE GNSMEKEFTD YLFNKSLEIE PRNPKPLPRF PKKYSYPLKS PGVRPSNPR 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 198 E HA 0.000 nan 4.350 nan 0.000 0.291 198 E C 0.000 176.619 176.600 0.032 0.000 1.382 198 E CA 0.000 56.414 56.400 0.023 0.000 0.976 198 E CB 0.000 29.711 29.700 0.018 0.000 0.812 199 Q N 2.180 121.996 119.800 0.027 0.000 2.417 199 Q HA 0.282 4.623 4.340 0.001 0.000 0.241 199 Q C 0.236 176.267 176.000 0.051 0.000 1.008 199 Q CA 0.569 56.393 55.803 0.035 0.000 0.901 199 Q CB 0.786 29.535 28.738 0.018 0.000 1.259 199 Q HN 0.206 nan 8.270 nan 0.000 0.489 200 T N -2.898 111.706 114.554 0.083 0.000 2.910 200 T HA 0.130 4.480 4.350 0.001 0.000 0.279 200 T C 0.532 175.313 174.700 0.135 0.000 0.989 200 T CA -0.643 61.534 62.100 0.129 0.000 0.968 200 T CB 0.254 69.235 68.868 0.188 0.000 1.135 200 T HN 0.603 nan 8.240 nan 0.000 0.562 201 Y N -0.039 120.259 120.300 -0.003 0.000 2.256 201 Y HA -0.132 4.418 4.550 0.000 0.000 0.288 201 Y C 2.117 177.991 175.900 -0.044 0.000 1.155 201 Y CA 1.460 59.475 58.100 -0.142 0.000 1.203 201 Y CB -0.579 37.593 38.460 -0.479 0.000 0.980 201 Y HN 0.783 nan 8.280 nan 0.000 0.530 202 Y N 0.861 121.276 120.300 0.192 0.000 2.243 202 Y HA -0.120 4.430 4.550 0.000 0.000 0.293 202 Y C 2.111 178.081 175.900 0.117 0.000 1.124 202 Y CA 1.736 59.944 58.100 0.179 0.000 1.159 202 Y CB -0.521 38.044 38.460 0.176 0.000 1.008 202 Y HN 0.138 nan 8.280 nan 0.000 0.527 203 D N 0.081 120.515 120.400 0.055 0.000 2.117 203 D HA -0.188 4.452 4.640 0.001 0.000 0.197 203 D C 2.364 178.628 176.300 -0.060 0.000 0.987 203 D CA 1.470 55.442 54.000 -0.046 0.000 0.829 203 D CB -0.415 40.398 40.800 0.021 0.000 0.961 203 D HN 0.365 nan 8.370 nan 0.000 0.460 204 L N 0.597 121.796 121.223 -0.040 0.000 2.046 204 L HA -0.151 4.189 4.340 0.001 0.000 0.208 204 L C 2.600 179.464 176.870 -0.009 0.000 1.077 204 L CA 0.671 55.482 54.840 -0.048 0.000 0.747 204 L CB -0.435 41.538 42.059 -0.144 0.000 0.896 204 L HN -0.056 nan 8.230 nan 0.000 0.432 205 V N -0.064 119.827 119.914 -0.038 0.000 2.358 205 V HA -0.255 3.865 4.120 0.001 0.000 0.246 205 V C 2.507 178.636 176.094 0.057 0.000 1.047 205 V CA 1.624 63.963 62.300 0.066 0.000 1.035 205 V CB -0.546 31.358 31.823 0.135 0.000 0.658 205 V HN 0.442 nan 8.190 nan 0.000 0.452 206 K N 0.591 120.908 120.400 -0.139 0.000 2.026 206 K HA -0.108 4.212 4.320 0.001 0.000 0.208 206 K C 2.360 178.945 176.600 -0.024 0.000 1.048 206 K CA 1.524 57.722 56.287 -0.149 0.000 0.929 206 K CB -0.493 31.831 32.500 -0.293 0.000 0.713 206 K HN 0.455 nan 8.250 nan 0.000 0.439 207 A N 1.562 124.385 122.820 0.004 0.000 1.877 207 A HA -0.190 4.131 4.320 0.001 0.000 0.216 207 A C 2.042 179.690 177.584 0.107 0.000 1.186 207 A CA 1.306 53.369 52.037 0.043 0.000 0.620 207 A CB -0.764 18.265 19.000 0.049 0.000 0.822 207 A HN 0.334 nan 8.150 nan 0.000 0.443 208 F N 0.356 120.330 119.950 0.041 0.000 2.171 208 F HA -0.171 4.356 4.527 0.001 0.000 0.300 208 F C 2.273 178.148 175.800 0.126 0.000 1.090 208 F CA 1.950 60.016 58.000 0.110 0.000 1.293 208 F CB -0.307 38.769 39.000 0.125 0.000 1.013 208 F HN 0.160 nan 8.300 nan 0.000 0.486 209 M N -0.272 119.342 119.600 0.023 0.000 2.159 209 M HA -0.170 4.310 4.480 0.001 0.000 0.263 209 M C 2.443 178.685 176.300 -0.097 0.000 1.063 209 M CA 1.673 56.938 55.300 -0.059 0.000 1.110 209 M CB -0.775 31.854 32.600 0.049 0.000 1.374 209 M HN 0.274 nan 8.290 nan 0.000 0.411 210 A N 0.427 123.214 122.820 -0.055 0.000 1.930 210 A HA -0.153 4.167 4.320 0.001 0.000 0.217 210 A C 1.916 179.465 177.584 -0.059 0.000 1.175 210 A CA 1.561 53.573 52.037 -0.041 0.000 0.627 210 A CB -0.583 18.405 19.000 -0.021 0.000 0.815 210 A HN 0.536 nan 8.150 nan 0.000 0.443 211 E N -0.522 119.625 120.200 -0.087 0.000 2.051 211 E HA -0.141 4.210 4.350 0.001 0.000 0.192 211 E C 1.912 178.474 176.600 -0.064 0.000 0.991 211 E CA 1.194 57.553 56.400 -0.068 0.000 0.799 211 E CB -0.271 29.400 29.700 -0.049 0.000 0.748 211 E HN 0.679 nan 8.360 nan 0.000 0.449 212 I N 0.884 121.322 120.570 -0.220 0.000 2.614 212 I HA -0.217 3.953 4.170 0.001 0.000 0.258 212 I C 2.169 178.269 176.117 -0.027 0.000 1.189 212 I CA 0.816 62.048 61.300 -0.113 0.000 1.462 212 I CB 0.097 37.917 38.000 -0.299 0.000 1.092 212 I HN 0.005 nan 8.210 nan 0.000 0.442 213 R N -0.240 120.228 120.500 -0.054 0.000 2.090 213 R HA -0.130 4.211 4.340 0.001 0.000 0.228 213 R C 2.284 178.580 176.300 -0.006 0.000 1.110 213 R CA 0.817 56.900 56.100 -0.029 0.000 0.973 213 R CB -0.223 30.061 30.300 -0.026 0.000 0.869 213 R HN 0.345 nan 8.270 nan 0.000 0.440 214 Q N -0.106 119.700 119.800 0.010 0.000 2.049 214 Q HA -0.173 4.167 4.340 0.001 0.000 0.198 214 Q C 1.785 177.818 176.000 0.054 0.000 0.971 214 Q CA 1.533 57.351 55.803 0.026 0.000 0.833 214 Q CB -0.267 28.486 28.738 0.025 0.000 0.896 214 Q HN 0.345 nan 8.270 nan 0.000 0.434 215 Y N 0.953 121.199 120.300 -0.090 0.000 2.128 215 Y HA -0.201 4.350 4.550 0.001 0.000 0.284 215 Y C 2.110 177.941 175.900 -0.114 0.000 1.154 215 Y CA 1.565 59.584 58.100 -0.134 0.000 1.149 215 Y CB -0.511 37.768 38.460 -0.302 0.000 0.976 215 Y HN 0.064 nan 8.280 nan 0.000 0.505 216 I N 0.023 120.490 120.570 -0.172 0.000 2.264 216 I HA -0.339 3.831 4.170 0.001 0.000 0.248 216 I C 2.785 178.834 176.117 -0.112 0.000 1.111 216 I CA 1.670 62.835 61.300 -0.226 0.000 1.382 216 I CB -0.437 37.482 38.000 -0.135 0.000 1.060 216 I HN 0.204 nan 8.210 nan 0.000 0.418 217 R N 1.047 121.513 120.500 -0.057 0.000 2.096 217 R HA -0.189 4.151 4.340 0.001 0.000 0.235 217 R C 2.072 178.361 176.300 -0.018 0.000 1.127 217 R CA 1.582 57.672 56.100 -0.017 0.000 0.968 217 R CB -0.056 30.246 30.300 0.002 0.000 0.861 217 R HN 0.415 nan 8.270 nan 0.000 0.440 218 E N 0.335 120.510 120.200 -0.041 0.000 2.106 218 E HA -0.177 4.174 4.350 0.001 0.000 0.192 218 E C 2.085 178.648 176.600 -0.061 0.000 0.984 218 E CA 1.195 57.583 56.400 -0.020 0.000 0.806 218 E CB -0.048 29.656 29.700 0.006 0.000 0.750 218 E HN 0.354 nan 8.360 nan 0.000 0.458 219 L N 1.214 122.320 121.223 -0.195 0.000 2.046 219 L HA -0.187 4.154 4.340 0.001 0.000 0.208 219 L C 2.176 179.000 176.870 -0.076 0.000 1.077 219 L CA 0.714 55.447 54.840 -0.179 0.000 0.747 219 L CB -0.509 41.380 42.059 -0.283 0.000 0.896 219 L HN 0.154 nan 8.230 nan 0.000 0.432 220 N N 0.282 118.955 118.700 -0.043 0.000 2.120 220 N HA -0.193 4.547 4.740 0.001 0.000 0.188 220 N C 1.845 177.346 175.510 -0.016 0.000 1.024 220 N CA 1.220 54.228 53.050 -0.069 0.000 0.852 220 N CB -0.320 38.155 38.487 -0.020 0.000 1.003 220 N HN 0.163 nan 8.380 nan 0.000 0.424 221 L N 1.601 122.854 121.223 0.049 0.000 2.012 221 L HA -0.055 4.285 4.340 0.001 0.000 0.210 221 L C 2.093 179.126 176.870 0.271 0.000 1.073 221 L CA 1.306 56.230 54.840 0.140 0.000 0.748 221 L CB -0.598 41.577 42.059 0.193 0.000 0.891 221 L HN 0.107 nan 8.230 nan 0.000 0.431 222 I N -0.935 119.789 120.570 0.257 0.000 2.163 222 I HA -0.348 3.822 4.170 0.001 0.000 0.243 222 I C 2.366 178.608 176.117 0.208 0.000 1.085 222 I CA 1.724 63.223 61.300 0.332 0.000 1.347 222 I CB -0.248 37.857 38.000 0.176 0.000 1.044 222 I HN 0.276 nan 8.210 nan 0.000 0.408 223 I N 0.374 120.959 120.570 0.024 0.000 2.193 223 I HA -0.238 3.932 4.170 0.001 0.000 0.240 223 I C 2.439 178.502 176.117 -0.089 0.000 1.084 223 I CA 1.405 62.643 61.300 -0.104 0.000 1.365 223 I CB -0.305 37.572 38.000 -0.205 0.000 1.064 223 I HN 0.112 nan 8.210 nan 0.000 0.410 224 K N 0.133 120.493 120.400 -0.066 0.000 2.116 224 K HA -0.020 4.300 4.320 0.001 0.000 0.203 224 K C 1.974 178.543 176.600 -0.051 0.000 1.052 224 K CA 0.969 57.216 56.287 -0.068 0.000 0.952 224 K CB 0.119 32.576 32.500 -0.072 0.000 0.729 224 K HN 0.153 nan 8.250 nan 0.000 0.446 225 V N 0.098 119.998 119.914 -0.022 0.000 2.436 225 V HA -0.075 4.046 4.120 0.001 0.000 0.240 225 V C 1.732 177.815 176.094 -0.018 0.000 1.040 225 V CA 1.314 63.547 62.300 -0.111 0.000 1.052 225 V CB -0.318 31.365 31.823 -0.233 0.000 0.707 225 V HN 0.092 nan 8.190 nan 0.000 0.469 226 F N 0.224 120.364 119.950 0.316 0.000 2.262 226 F HA 0.128 4.655 4.527 0.001 0.000 0.292 226 F C 2.541 178.642 175.800 0.502 0.000 1.081 226 F CA 1.350 59.664 58.000 0.524 0.000 1.355 226 F CB -0.282 38.990 39.000 0.453 0.000 1.069 226 F HN -0.093 nan 8.300 nan 0.000 0.506 227 R N 0.508 121.102 120.500 0.156 0.000 2.080 227 R HA -0.115 4.225 4.340 0.001 0.000 0.222 227 R C 2.130 178.380 176.300 -0.084 0.000 1.107 227 R CA 1.132 56.933 56.100 -0.498 0.000 0.980 227 R CB -0.179 29.424 30.300 -1.162 0.000 0.879 227 R HN 0.077 nan 8.270 nan 0.000 0.439 228 E N 0.730 120.910 120.200 -0.034 0.000 2.097 228 E HA -0.135 4.215 4.350 0.001 0.000 0.196 228 E C -1.022 175.614 176.600 0.061 0.000 1.000 228 E CA 1.718 58.109 56.400 -0.016 0.000 0.804 228 E CB -0.805 28.866 29.700 -0.048 0.000 0.740 228 E HN 0.349 nan 8.360 nan 0.000 0.454 229 P HA -0.084 nan 4.420 nan 0.000 0.220 229 P C 0.723 178.154 177.300 0.218 0.000 1.148 229 P CA 1.082 64.241 63.100 0.098 0.000 0.803 229 P CB -0.079 31.561 31.700 -0.099 0.000 0.782 230 F N -1.282 118.732 119.950 0.106 0.000 2.187 230 F HA -0.102 4.426 4.527 0.001 0.000 0.295 230 F C 2.299 178.126 175.800 0.045 0.000 1.091 230 F CA 0.928 58.896 58.000 -0.054 0.000 1.308 230 F CB -1.411 37.424 39.000 -0.275 0.000 1.030 230 F HN -0.300 nan 8.300 nan 0.000 0.487 231 V N -0.937 119.096 119.914 0.200 0.000 2.407 231 V HA -0.268 3.852 4.120 0.001 0.000 0.248 231 V C 2.275 178.433 176.094 0.105 0.000 1.055 231 V CA 2.129 64.496 62.300 0.112 0.000 1.049 231 V CB -0.884 30.955 31.823 0.027 0.000 0.662 231 V HN 0.279 nan 8.190 nan 0.000 0.455 232 S N -0.090 115.674 115.700 0.106 0.000 2.402 232 S HA -0.099 4.371 4.470 0.001 0.000 0.229 232 S C 1.373 176.014 174.600 0.068 0.000 1.021 232 S CA 0.792 59.042 58.200 0.084 0.000 0.974 232 S CB -0.340 62.916 63.200 0.094 0.000 0.800 232 S HN 0.583 nan 8.310 nan 0.000 0.484 233 N N 1.463 120.206 118.700 0.073 0.000 3.083 233 N HA 0.232 4.972 4.740 0.001 0.000 0.260 233 N C 0.720 176.244 175.510 0.024 0.000 1.163 233 N CA -0.007 52.994 53.050 -0.081 0.000 1.060 233 N CB 0.461 38.655 38.487 -0.488 0.000 1.345 233 N HN 0.076 nan 8.380 nan 0.000 0.515 234 S N 2.128 117.841 115.700 0.021 0.000 2.400 234 S HA -0.086 4.384 4.470 0.001 0.000 0.232 234 S C 1.580 176.174 174.600 -0.010 0.000 1.025 234 S CA 1.300 59.522 58.200 0.036 0.000 0.993 234 S CB 0.186 63.398 63.200 0.019 0.000 0.808 234 S HN 0.558 nan 8.310 nan 0.000 0.478 235 K N 0.285 120.642 120.400 -0.071 0.000 2.097 235 K HA 0.040 4.361 4.320 0.001 0.000 0.205 235 K C 2.055 178.548 176.600 -0.178 0.000 1.050 235 K CA 1.088 57.311 56.287 -0.107 0.000 0.938 235 K CB -0.217 32.212 32.500 -0.118 0.000 0.718 235 K HN 0.362 nan 8.250 nan 0.000 0.442 236 L N -0.287 120.764 121.223 -0.286 0.000 2.162 236 L HA 0.061 4.401 4.340 0.001 0.000 0.205 236 L C -0.005 176.451 176.870 -0.689 0.000 1.086 236 L CA 0.512 55.011 54.840 -0.569 0.000 0.778 236 L CB 0.367 41.899 42.059 -0.879 0.000 0.928 236 L HN -0.008 nan 8.230 nan 0.000 0.446 237 F N -0.916 119.032 119.950 -0.004 0.000 2.518 237 F HA 0.277 4.804 4.527 0.001 0.000 0.323 237 F C 0.676 176.513 175.800 0.061 0.000 1.129 237 F CA -1.028 57.019 58.000 0.077 0.000 0.920 237 F CB 1.363 40.490 39.000 0.211 0.000 1.160 237 F HN -0.181 nan 8.300 nan 0.000 0.440 238 S N 1.473 117.299 115.700 0.208 0.000 2.641 238 S HA 0.564 5.034 4.470 0.001 0.000 0.261 238 S C 1.272 175.964 174.600 0.153 0.000 1.257 238 S CA -0.229 58.051 58.200 0.133 0.000 0.983 238 S CB 1.208 64.458 63.200 0.084 0.000 0.990 238 S HN 0.796 nan 8.310 nan 0.000 0.572 239 A N 1.029 123.911 122.820 0.104 0.000 1.908 239 A HA -0.150 4.170 4.320 0.001 0.000 0.218 239 A C 2.072 179.715 177.584 0.099 0.000 1.181 239 A CA 1.802 53.895 52.037 0.093 0.000 0.627 239 A CB -1.554 17.484 19.000 0.064 0.000 0.818 239 A HN 0.930 nan 8.150 nan 0.000 0.445 240 N N -0.218 118.535 118.700 0.088 0.000 2.120 240 N HA -0.158 4.582 4.740 0.001 0.000 0.188 240 N C 1.071 176.642 175.510 0.101 0.000 1.024 240 N CA 1.180 54.279 53.050 0.081 0.000 0.852 240 N CB -0.230 38.294 38.487 0.062 0.000 1.003 240 N HN 0.455 nan 8.380 nan 0.000 0.424 241 D N 0.792 121.276 120.400 0.141 0.000 2.104 241 D HA -0.126 4.514 4.640 0.001 0.000 0.194 241 D C 2.146 178.537 176.300 0.152 0.000 0.994 241 D CA 0.905 55.015 54.000 0.183 0.000 0.830 241 D CB -0.428 40.583 40.800 0.350 0.000 0.959 241 D HN 0.067 nan 8.370 nan 0.000 0.452 242 V N 1.088 121.107 119.914 0.175 0.000 2.261 242 V HA -0.246 3.875 4.120 0.001 0.000 0.246 242 V C 2.508 178.723 176.094 0.201 0.000 1.047 242 V CA 1.868 64.276 62.300 0.179 0.000 1.015 242 V CB -0.560 31.351 31.823 0.145 0.000 0.642 242 V HN 0.096 nan 8.190 nan 0.000 0.446 243 E N 1.291 121.574 120.200 0.138 0.000 2.070 243 E HA -0.262 4.089 4.350 0.001 0.000 0.197 243 E C 1.848 178.504 176.600 0.092 0.000 1.004 243 E CA 2.237 58.705 56.400 0.113 0.000 0.805 243 E CB -0.611 29.137 29.700 0.081 0.000 0.744 243 E HN 0.738 nan 8.360 nan 0.000 0.451 244 N N -0.854 117.887 118.700 0.068 0.000 2.520 244 N HA -0.053 4.687 4.740 0.001 0.000 0.185 244 N C 1.381 176.902 175.510 0.018 0.000 1.068 244 N CA 0.768 53.841 53.050 0.040 0.000 0.911 244 N CB 0.094 38.591 38.487 0.016 0.000 0.961 244 N HN 0.279 nan 8.380 nan 0.000 0.446 245 I N -1.293 119.254 120.570 -0.038 0.000 3.194 245 I HA 0.007 4.177 4.170 0.001 0.000 0.271 245 I C 0.574 176.505 176.117 -0.310 0.000 1.150 245 I CA 0.512 61.668 61.300 -0.240 0.000 1.440 245 I CB 0.224 37.873 38.000 -0.586 0.000 1.276 245 I HN -0.019 nan 8.210 nan 0.000 0.457 246 F N 0.230 120.164 119.950 -0.026 0.000 2.721 246 F HA 0.261 4.788 4.527 0.001 0.000 0.301 246 F C 1.662 177.495 175.800 0.055 0.000 1.096 246 F CA 0.219 58.221 58.000 0.003 0.000 1.308 246 F CB -0.115 38.874 39.000 -0.019 0.000 1.086 246 F HN -0.022 nan 8.300 nan 0.000 0.587 247 S N 0.869 116.661 115.700 0.153 0.000 3.711 247 S HA -0.318 4.153 4.470 0.001 0.000 0.625 247 S C 1.445 176.165 174.600 0.200 0.000 2.458 247 S CA 1.299 59.561 58.200 0.103 0.000 4.059 247 S CB -0.515 62.613 63.200 -0.121 0.000 0.257 247 S HN 0.345 nan 8.310 nan 0.000 0.974 248 R N 1.116 121.779 120.500 0.271 0.000 2.340 248 R HA 0.175 4.515 4.340 0.001 0.000 0.215 248 R C 1.726 178.086 176.300 0.100 0.000 1.017 248 R CA 0.593 56.796 56.100 0.171 0.000 1.111 248 R CB -1.531 28.843 30.300 0.124 0.000 1.049 248 R HN 0.594 nan 8.270 nan 0.000 0.490 249 I N 0.476 121.156 120.570 0.183 0.000 2.185 249 I HA -0.327 3.844 4.170 0.001 0.000 0.246 249 I C 1.858 177.946 176.117 -0.049 0.000 1.088 249 I CA 1.448 62.763 61.300 0.025 0.000 1.347 249 I CB -0.004 38.087 38.000 0.151 0.000 1.041 249 I HN -0.085 nan 8.210 nan 0.000 0.415 250 V N 0.591 120.492 119.914 -0.021 0.000 2.307 250 V HA -0.280 3.840 4.120 0.001 0.000 0.245 250 V C 2.193 178.276 176.094 -0.018 0.000 1.045 250 V CA 2.162 64.442 62.300 -0.034 0.000 1.024 250 V CB -0.935 30.865 31.823 -0.038 0.000 0.651 250 V HN 0.407 nan 8.190 nan 0.000 0.449 251 D N 0.133 120.509 120.400 -0.041 0.000 2.117 251 D HA -0.129 4.511 4.640 0.001 0.000 0.197 251 D C 2.095 178.321 176.300 -0.123 0.000 0.987 251 D CA 1.376 55.338 54.000 -0.064 0.000 0.829 251 D CB -0.190 40.574 40.800 -0.062 0.000 0.961 251 D HN 0.396 nan 8.370 nan 0.000 0.460 252 I N 0.734 121.183 120.570 -0.203 0.000 2.286 252 I HA -0.263 3.908 4.170 0.001 0.000 0.248 252 I C 2.501 178.511 176.117 -0.178 0.000 1.115 252 I CA 1.007 62.114 61.300 -0.321 0.000 1.392 252 I CB -0.327 37.338 38.000 -0.558 0.000 1.065 252 I HN 0.167 nan 8.210 nan 0.000 0.418 253 H N 1.358 120.297 119.070 -0.219 0.000 2.357 253 H HA -0.136 4.420 4.556 0.001 0.000 0.301 253 H C 1.929 177.176 175.328 -0.136 0.000 1.082 253 H CA 1.575 57.506 56.048 -0.196 0.000 1.342 253 H CB 0.183 29.838 29.762 -0.178 0.000 1.389 253 H HN 0.395 nan 8.280 nan 0.000 0.511 254 E N 0.664 120.820 120.200 -0.073 0.000 2.072 254 E HA -0.133 4.217 4.350 0.001 0.000 0.191 254 E C 2.555 179.056 176.600 -0.165 0.000 0.985 254 E CA 0.548 56.884 56.400 -0.107 0.000 0.801 254 E CB 0.013 29.695 29.700 -0.030 0.000 0.750 254 E HN 0.417 nan 8.360 nan 0.000 0.452 255 L N 0.855 121.988 121.223 -0.150 0.000 2.046 255 L HA -0.191 4.149 4.340 0.001 0.000 0.208 255 L C 2.308 179.106 176.870 -0.120 0.000 1.077 255 L CA 1.264 56.008 54.840 -0.160 0.000 0.747 255 L CB -0.175 41.774 42.059 -0.182 0.000 0.896 255 L HN 0.086 nan 8.230 nan 0.000 0.432 256 S N -0.670 114.984 115.700 -0.078 0.000 2.368 256 S HA -0.164 4.306 4.470 0.001 0.000 0.225 256 S C 1.878 176.408 174.600 -0.117 0.000 1.030 256 S CA 1.344 59.543 58.200 -0.001 0.000 0.999 256 S CB -0.279 62.922 63.200 0.002 0.000 0.844 256 S HN 0.318 nan 8.310 nan 0.000 0.459 257 V N 1.793 121.548 119.914 -0.264 0.000 2.427 257 V HA -0.145 3.976 4.120 0.001 0.000 0.248 257 V C 2.409 178.382 176.094 -0.201 0.000 1.051 257 V CA 1.509 63.661 62.300 -0.247 0.000 1.048 257 V CB -0.458 31.174 31.823 -0.318 0.000 0.666 257 V HN 0.392 nan 8.190 nan 0.000 0.456 258 K N -0.465 119.798 120.400 -0.230 0.000 2.026 258 K HA -0.128 4.193 4.320 0.001 0.000 0.208 258 K C 2.208 178.552 176.600 -0.427 0.000 1.048 258 K CA 1.380 57.462 56.287 -0.343 0.000 0.929 258 K CB -0.254 32.065 32.500 -0.300 0.000 0.713 258 K HN 0.341 nan 8.250 nan 0.000 0.439 259 L N 1.293 122.379 121.223 -0.228 0.000 1.989 259 L HA -0.219 4.121 4.340 0.001 0.000 0.211 259 L C 2.391 179.225 176.870 -0.059 0.000 1.071 259 L CA 1.198 55.957 54.840 -0.136 0.000 0.749 259 L CB -0.260 41.799 42.059 0.001 0.000 0.890 259 L HN 0.326 nan 8.230 nan 0.000 0.431 260 L N -0.598 120.613 121.223 -0.021 0.000 2.046 260 L HA -0.162 4.178 4.340 0.001 0.000 0.208 260 L C 2.398 179.279 176.870 0.018 0.000 1.077 260 L CA 1.666 56.518 54.840 0.021 0.000 0.747 260 L CB -0.808 41.244 42.059 -0.011 0.000 0.896 260 L HN 0.372 nan 8.230 nan 0.000 0.432 261 G N -1.370 107.402 108.800 -0.046 0.000 2.446 261 G HA2 -0.298 3.662 3.960 0.001 0.000 0.217 261 G HA3 -0.298 3.662 3.960 0.001 0.000 0.217 261 G C 1.214 176.193 174.900 0.133 0.000 1.168 261 G CA 1.036 46.136 45.100 -0.001 0.000 0.771 261 G HN 0.547 nan 8.290 nan 0.000 0.551 262 H N 0.008 119.116 119.070 0.063 0.000 2.321 262 H HA 0.034 4.590 4.556 0.001 0.000 0.300 262 H C 2.677 178.082 175.328 0.128 0.000 1.087 262 H CA 0.840 56.952 56.048 0.106 0.000 1.319 262 H CB 0.019 29.802 29.762 0.035 0.000 1.379 262 H HN 0.281 nan 8.280 nan 0.000 0.501 263 I N 1.047 121.749 120.570 0.219 0.000 2.264 263 I HA -0.243 3.928 4.170 0.001 0.000 0.248 263 I C 2.075 178.313 176.117 0.202 0.000 1.111 263 I CA 1.311 62.730 61.300 0.198 0.000 1.382 263 I CB -0.231 37.883 38.000 0.190 0.000 1.060 263 I HN 0.380 nan 8.210 nan 0.000 0.418 264 E N 0.757 121.057 120.200 0.166 0.000 2.072 264 E HA -0.204 4.146 4.350 0.001 0.000 0.191 264 E C 1.708 178.392 176.600 0.140 0.000 0.985 264 E CA 1.275 57.757 56.400 0.137 0.000 0.801 264 E CB -0.083 29.671 29.700 0.090 0.000 0.750 264 E HN 0.497 nan 8.360 nan 0.000 0.452 265 D N 0.427 120.924 120.400 0.162 0.000 2.097 265 D HA -0.122 4.519 4.640 0.001 0.000 0.195 265 D C 2.027 178.441 176.300 0.190 0.000 0.989 265 D CA 1.340 55.416 54.000 0.127 0.000 0.827 265 D CB -0.660 40.230 40.800 0.150 0.000 0.966 265 D HN 0.079 nan 8.370 nan 0.000 0.456 266 T N 1.313 116.057 114.554 0.316 0.000 2.624 266 T HA -0.148 4.203 4.350 0.001 0.000 0.268 266 T C 2.312 177.159 174.700 0.245 0.000 1.041 266 T CA 1.351 63.654 62.100 0.338 0.000 1.159 266 T CB -0.568 68.478 68.868 0.296 0.000 0.863 266 T HN -0.028 nan 8.240 nan 0.000 0.434 267 V N 1.455 121.504 119.914 0.226 0.000 2.252 267 V HA -0.209 3.911 4.120 0.001 0.000 0.249 267 V C 2.582 178.772 176.094 0.161 0.000 1.056 267 V CA 1.814 64.245 62.300 0.218 0.000 1.022 267 V CB -0.586 31.378 31.823 0.235 0.000 0.641 267 V HN 0.544 nan 8.190 nan 0.000 0.445 268 E N -0.801 119.472 120.200 0.122 0.000 2.153 268 E HA -0.218 4.132 4.350 0.001 0.000 0.194 268 E C 2.015 178.644 176.600 0.049 0.000 0.988 268 E CA 1.341 57.785 56.400 0.073 0.000 0.811 268 E CB -0.107 29.613 29.700 0.033 0.000 0.746 268 E HN 0.542 nan 8.360 nan 0.000 0.466 269 M N 0.830 120.462 119.600 0.054 0.000 2.561 269 M HA 0.012 4.493 4.480 0.001 0.000 0.238 269 M C -0.160 176.203 176.300 0.104 0.000 1.131 269 M CA 0.523 55.843 55.300 0.034 0.000 1.046 269 M CB 0.490 33.068 32.600 -0.038 0.000 1.532 269 M HN -0.252 nan 8.290 nan 0.000 0.497 270 T N 1.752 116.378 114.554 0.120 0.000 2.727 270 T HA 0.123 4.474 4.350 0.001 0.000 0.295 270 T C -0.302 174.459 174.700 0.103 0.000 0.915 270 T CA -0.312 61.859 62.100 0.119 0.000 1.066 270 T CB 0.311 69.249 68.868 0.116 0.000 0.891 270 T HN 0.196 nan 8.240 nan 0.000 0.516 271 D N 2.034 122.514 120.400 0.134 0.000 2.383 271 D HA 0.129 4.769 4.640 0.001 0.000 0.248 271 D C 1.389 177.791 176.300 0.170 0.000 1.170 271 D CA -0.637 53.477 54.000 0.189 0.000 0.977 271 D CB 0.880 41.890 40.800 0.350 0.000 1.120 271 D HN 0.518 nan 8.370 nan 0.000 0.481 272 E N 0.070 120.391 120.200 0.203 0.000 2.401 272 E HA -0.091 4.259 4.350 0.001 0.000 0.199 272 E C 1.623 178.286 176.600 0.104 0.000 1.023 272 E CA 0.498 56.964 56.400 0.109 0.000 0.859 272 E CB 0.009 29.752 29.700 0.071 0.000 0.780 272 E HN 0.521 nan 8.360 nan 0.000 0.523 273 G N 0.708 109.655 108.800 0.245 0.000 2.534 273 G HA2 -0.121 3.839 3.960 0.001 0.000 0.217 273 G HA3 -0.121 3.839 3.960 0.001 0.000 0.217 273 G C 0.687 175.612 174.900 0.042 0.000 1.128 273 G CA 0.043 45.266 45.100 0.204 0.000 0.784 273 G HN 0.061 nan 8.290 nan 0.000 0.542 274 S N 0.570 116.273 115.700 0.006 0.000 2.525 274 S HA 0.411 4.881 4.470 0.001 0.000 0.290 274 S C -1.051 173.461 174.600 -0.147 0.000 1.152 274 S CA -0.976 57.171 58.200 -0.088 0.000 1.072 274 S CB 2.367 65.522 63.200 -0.075 0.000 1.027 274 S HN 0.084 nan 8.310 nan 0.000 0.500 275 P HA -0.075 nan 4.420 nan 0.000 0.223 275 P C -0.154 177.004 177.300 -0.236 0.000 1.151 275 P CA 1.165 64.105 63.100 -0.266 0.000 0.787 275 P CB -0.070 31.417 31.700 -0.355 0.000 0.788 276 H N -3.425 115.550 119.070 -0.157 0.000 3.005 276 H HA 0.293 4.849 4.556 0.001 0.000 0.311 276 H C -3.240 172.024 175.328 -0.106 0.000 1.366 276 H CA -2.051 53.895 56.048 -0.169 0.000 1.210 276 H CB 0.268 29.958 29.762 -0.121 0.000 1.894 276 H HN -0.246 nan 8.280 nan 0.000 0.520 277 P HA 0.074 nan 4.420 nan 0.000 0.266 277 P C -0.099 177.394 177.300 0.322 0.000 1.195 277 P CA -0.174 63.081 63.100 0.257 0.000 0.768 277 P CB 1.304 33.199 31.700 0.324 0.000 0.838 278 L N 3.916 125.273 121.223 0.222 0.000 2.288 278 L HA 0.153 4.493 4.340 0.001 0.000 0.283 278 L C 1.575 178.593 176.870 0.247 0.000 1.072 278 L CA -0.589 54.371 54.840 0.202 0.000 0.862 278 L CB 0.928 43.041 42.059 0.090 0.000 1.245 278 L HN 0.238 nan 8.230 nan 0.000 0.432 279 V N -0.710 119.425 119.914 0.367 0.000 3.647 279 V HA 0.197 4.317 4.120 0.001 0.000 0.279 279 V C 1.824 178.120 176.094 0.337 0.000 1.314 279 V CA 0.925 63.422 62.300 0.330 0.000 1.125 279 V CB 0.107 32.159 31.823 0.382 0.000 0.907 279 V HN 0.752 nan 8.190 nan 0.000 0.434 280 G N 2.163 111.141 108.800 0.296 0.000 2.476 280 G HA2 -0.342 3.618 3.960 0.001 0.000 0.218 280 G HA3 -0.342 3.618 3.960 0.001 0.000 0.218 280 G C 1.789 176.796 174.900 0.178 0.000 1.164 280 G CA 1.807 47.038 45.100 0.217 0.000 0.768 280 G HN 0.835 nan 8.290 nan 0.000 0.560 281 S N -0.169 115.593 115.700 0.104 0.000 2.382 281 S HA -0.181 4.289 4.470 0.001 0.000 0.228 281 S C 2.331 176.944 174.600 0.023 0.000 1.027 281 S CA 1.447 59.664 58.200 0.028 0.000 0.991 281 S CB -0.971 62.197 63.200 -0.054 0.000 0.823 281 S HN 0.393 nan 8.310 nan 0.000 0.469 282 C N 0.930 120.251 119.300 0.035 0.000 2.398 282 C HA -0.004 4.456 4.460 0.001 0.000 0.276 282 C C 2.387 177.341 174.990 -0.061 0.000 1.222 282 C CA 0.848 59.848 59.018 -0.030 0.000 1.746 282 C CB -1.797 25.902 27.740 -0.068 0.000 2.039 282 C HN 0.617 nan 8.230 nan 0.000 0.470 283 F N 0.656 120.624 119.950 0.029 0.000 2.163 283 F HA -0.075 4.453 4.527 0.001 0.000 0.297 283 F C 2.489 178.311 175.800 0.036 0.000 1.094 283 F CA 1.762 59.768 58.000 0.010 0.000 1.290 283 F CB -0.688 38.229 39.000 -0.138 0.000 1.017 283 F HN 0.275 nan 8.300 nan 0.000 0.483 284 E N 0.495 120.809 120.200 0.191 0.000 2.085 284 E HA -0.236 4.114 4.350 0.001 0.000 0.194 284 E C 1.702 178.357 176.600 0.092 0.000 0.994 284 E CA 1.666 58.130 56.400 0.107 0.000 0.801 284 E CB -0.082 29.652 29.700 0.057 0.000 0.743 284 E HN 0.284 nan 8.360 nan 0.000 0.453 285 D N 0.461 120.899 120.400 0.063 0.000 2.123 285 D HA -0.181 4.459 4.640 0.001 0.000 0.196 285 D C 2.131 178.487 176.300 0.093 0.000 0.992 285 D CA 0.954 54.978 54.000 0.041 0.000 0.833 285 D CB -0.204 40.587 40.800 -0.016 0.000 0.954 285 D HN 0.287 nan 8.370 nan 0.000 0.455 286 L N 0.578 121.894 121.223 0.154 0.000 2.044 286 L HA -0.076 4.264 4.340 0.001 0.000 0.205 286 L C 2.585 179.642 176.870 0.312 0.000 1.075 286 L CA 0.991 55.956 54.840 0.208 0.000 0.747 286 L CB -0.397 41.807 42.059 0.242 0.000 0.903 286 L HN -0.042 nan 8.230 nan 0.000 0.435 287 A N -0.153 122.888 122.820 0.369 0.000 1.972 287 A HA -0.248 4.073 4.320 0.001 0.000 0.219 287 A C 2.159 179.855 177.584 0.186 0.000 1.169 287 A CA 1.840 54.063 52.037 0.310 0.000 0.635 287 A CB -0.421 18.670 19.000 0.152 0.000 0.810 287 A HN 0.377 nan 8.150 nan 0.000 0.446 288 E N 0.386 120.664 120.200 0.130 0.000 2.204 288 E HA -0.117 4.233 4.350 0.001 0.000 0.194 288 E C 1.143 177.792 176.600 0.081 0.000 0.989 288 E CA 1.096 57.545 56.400 0.083 0.000 0.824 288 E CB -0.036 29.695 29.700 0.053 0.000 0.756 288 E HN 0.528 nan 8.360 nan 0.000 0.477 289 E N 0.246 120.504 120.200 0.097 0.000 2.403 289 E HA 0.086 4.436 4.350 0.001 0.000 0.188 289 E C 0.350 177.007 176.600 0.095 0.000 1.056 289 E CA -0.123 56.323 56.400 0.077 0.000 0.892 289 E CB 0.004 29.739 29.700 0.059 0.000 1.049 289 E HN 0.293 nan 8.360 nan 0.000 0.465 290 L N -0.103 121.202 121.223 0.137 0.000 3.737 290 L HA -0.321 4.020 4.340 0.001 0.000 0.418 290 L C 1.376 178.346 176.870 0.167 0.000 1.216 290 L CA 0.371 55.310 54.840 0.165 0.000 0.915 290 L CB -1.730 40.398 42.059 0.115 0.000 1.834 290 L HN 0.146 nan 8.230 nan 0.000 0.943 291 A N -0.978 121.935 122.820 0.154 0.000 2.121 291 A HA -0.000 4.320 4.320 0.001 0.000 0.218 291 A C 1.485 179.028 177.584 -0.069 0.000 1.154 291 A CA 1.408 53.441 52.037 -0.006 0.000 0.679 291 A CB -0.362 18.560 19.000 -0.131 0.000 0.795 291 A HN 0.483 nan 8.150 nan 0.000 0.458 292 F N -0.128 119.953 119.950 0.218 0.000 2.765 292 F HA 0.087 4.614 4.527 0.001 0.000 0.302 292 F C 1.389 177.383 175.800 0.324 0.000 1.111 292 F CA 0.084 58.294 58.000 0.349 0.000 1.359 292 F CB -0.061 39.157 39.000 0.365 0.000 1.097 292 F HN 0.125 nan 8.300 nan 0.000 0.577 293 D N 1.188 121.785 120.400 0.328 0.000 2.133 293 D HA -0.161 4.480 4.640 0.001 0.000 0.195 293 D C -0.425 176.002 176.300 0.211 0.000 0.997 293 D CA 1.497 55.643 54.000 0.243 0.000 0.840 293 D CB -1.484 39.412 40.800 0.160 0.000 0.947 293 D HN 0.163 nan 8.370 nan 0.000 0.452 294 P HA -0.166 nan 4.420 nan 0.000 0.217 294 P C 0.912 178.273 177.300 0.103 0.000 1.148 294 P CA 1.009 64.148 63.100 0.065 0.000 0.828 294 P CB -0.083 31.585 31.700 -0.053 0.000 0.783 295 Y N -0.378 120.028 120.300 0.175 0.000 2.242 295 Y HA -0.161 4.390 4.550 0.001 0.000 0.291 295 Y C 2.585 178.604 175.900 0.199 0.000 1.137 295 Y CA 1.378 59.590 58.100 0.187 0.000 1.181 295 Y CB -0.616 37.965 38.460 0.201 0.000 0.989 295 Y HN 0.063 nan 8.280 nan 0.000 0.527 296 E N -0.377 120.025 120.200 0.337 0.000 2.047 296 E HA -0.170 4.180 4.350 0.001 0.000 0.191 296 E C 2.207 178.908 176.600 0.168 0.000 0.987 296 E CA 1.385 57.923 56.400 0.229 0.000 0.799 296 E CB -0.034 29.781 29.700 0.191 0.000 0.752 296 E HN 0.339 nan 8.360 nan 0.000 0.449 297 S N -0.043 115.751 115.700 0.155 0.000 2.368 297 S HA -0.194 4.277 4.470 0.001 0.000 0.225 297 S C 1.632 176.289 174.600 0.096 0.000 1.030 297 S CA 1.298 59.561 58.200 0.105 0.000 0.999 297 S CB -0.546 62.712 63.200 0.096 0.000 0.844 297 S HN 0.419 nan 8.310 nan 0.000 0.459 298 Y N 2.379 122.691 120.300 0.020 0.000 2.097 298 Y HA -0.208 4.342 4.550 0.001 0.000 0.282 298 Y C 2.518 178.396 175.900 -0.037 0.000 1.152 298 Y CA 1.297 59.387 58.100 -0.017 0.000 1.136 298 Y CB -0.826 37.615 38.460 -0.031 0.000 0.975 298 Y HN 0.216 nan 8.280 nan 0.000 0.498 299 A N 0.419 123.345 122.820 0.177 0.000 1.940 299 A HA -0.256 4.064 4.320 0.001 0.000 0.219 299 A C 2.348 179.885 177.584 -0.078 0.000 1.176 299 A CA 1.975 54.036 52.037 0.041 0.000 0.631 299 A CB -0.880 18.184 19.000 0.107 0.000 0.814 299 A HN 0.583 nan 8.150 nan 0.000 0.446 300 R N -0.424 120.058 120.500 -0.030 0.000 2.081 300 R HA -0.159 4.181 4.340 0.001 0.000 0.235 300 R C 1.391 177.637 176.300 -0.089 0.000 1.131 300 R CA 1.884 57.960 56.100 -0.040 0.000 0.960 300 R CB -0.288 30.013 30.300 0.003 0.000 0.856 300 R HN 0.478 nan 8.270 nan 0.000 0.436 301 D N 0.393 120.709 120.400 -0.139 0.000 2.103 301 D HA -0.120 4.521 4.640 0.001 0.000 0.199 301 D C 1.890 178.028 176.300 -0.269 0.000 0.978 301 D CA 0.991 54.901 54.000 -0.150 0.000 0.829 301 D CB -0.037 40.668 40.800 -0.158 0.000 0.981 301 D HN 0.235 nan 8.370 nan 0.000 0.464 302 I N 0.517 120.739 120.570 -0.580 0.000 2.439 302 I HA -0.091 4.079 4.170 0.001 0.000 0.251 302 I C 2.065 177.732 176.117 -0.750 0.000 1.139 302 I CA 0.691 61.382 61.300 -1.014 0.000 1.438 302 I CB -0.676 36.683 38.000 -1.069 0.000 1.085 302 I HN 0.010 nan 8.210 nan 0.000 0.427 303 L N 0.118 121.111 121.223 -0.383 0.000 2.628 303 L HA 0.146 4.486 4.340 0.001 0.000 0.229 303 L C 1.261 178.067 176.870 -0.108 0.000 1.137 303 L CA -0.109 54.593 54.840 -0.230 0.000 0.909 303 L CB -0.190 41.767 42.059 -0.170 0.000 1.137 303 L HN 0.092 nan 8.230 nan 0.000 0.470 304 R N 1.241 121.700 120.500 -0.069 0.000 2.623 304 R HA 0.002 4.343 4.340 0.001 0.000 0.271 304 R C -1.359 174.969 176.300 0.046 0.000 1.043 304 R CA -1.058 55.046 56.100 0.007 0.000 1.083 304 R CB 0.809 31.130 30.300 0.035 0.000 0.974 304 R HN -0.129 nan 8.270 nan 0.000 0.436 305 P HA -0.119 nan 4.420 nan 0.000 0.216 305 P C 0.567 177.912 177.300 0.075 0.000 1.150 305 P CA 1.506 64.633 63.100 0.046 0.000 0.843 305 P CB 0.165 31.883 31.700 0.030 0.000 0.787 306 G N -2.410 106.436 108.800 0.076 0.000 3.314 306 G HA2 -0.090 3.870 3.960 0.001 0.000 0.238 306 G HA3 -0.090 3.870 3.960 0.001 0.000 0.238 306 G C 0.906 175.859 174.900 0.088 0.000 1.184 306 G CA -0.372 44.770 45.100 0.070 0.000 0.806 306 G HN 0.112 nan 8.290 nan 0.000 0.536 307 F N 0.851 120.799 119.950 -0.003 0.000 2.043 307 F HA -0.185 4.343 4.527 0.001 0.000 0.297 307 F C 2.360 178.202 175.800 0.070 0.000 1.121 307 F CA 2.255 60.247 58.000 -0.013 0.000 1.199 307 F CB -0.351 38.598 39.000 -0.084 0.000 0.968 307 F HN 0.370 nan 8.300 nan 0.000 0.478 308 H N -0.583 118.501 119.070 0.022 0.000 2.319 308 H HA -0.179 4.377 4.556 0.001 0.000 0.299 308 H C 1.864 177.175 175.328 -0.028 0.000 1.092 308 H CA 1.569 57.610 56.048 -0.010 0.000 1.302 308 H CB -0.183 29.631 29.762 0.087 0.000 1.373 308 H HN 0.259 nan 8.280 nan 0.000 0.497 309 D N 0.271 120.652 120.400 -0.031 0.000 2.106 309 D HA -0.153 4.488 4.640 0.001 0.000 0.191 309 D C 2.433 178.649 176.300 -0.140 0.000 0.997 309 D CA 1.189 55.126 54.000 -0.104 0.000 0.834 309 D CB -0.257 40.521 40.800 -0.036 0.000 0.956 309 D HN 0.384 nan 8.370 nan 0.000 0.448 310 R N -0.508 119.911 120.500 -0.134 0.000 2.120 310 R HA -0.087 4.253 4.340 0.001 0.000 0.234 310 R C 2.212 178.399 176.300 -0.189 0.000 1.123 310 R CA 0.621 56.633 56.100 -0.147 0.000 0.975 310 R CB -0.433 29.783 30.300 -0.139 0.000 0.866 310 R HN 0.173 nan 8.270 nan 0.000 0.446 311 F N 1.443 121.114 119.950 -0.466 0.000 2.075 311 F HA -0.130 4.397 4.527 0.001 0.000 0.297 311 F C 1.717 177.339 175.800 -0.297 0.000 1.113 311 F CA 1.425 59.137 58.000 -0.480 0.000 1.218 311 F CB -0.323 38.307 39.000 -0.618 0.000 0.984 311 F HN -0.120 nan 8.300 nan 0.000 0.472 312 L N -0.498 120.462 121.223 -0.438 0.000 2.046 312 L HA -0.243 4.097 4.340 0.001 0.000 0.208 312 L C 2.510 179.200 176.870 -0.299 0.000 1.077 312 L CA 1.536 56.103 54.840 -0.455 0.000 0.747 312 L CB -1.106 40.729 42.059 -0.374 0.000 0.896 312 L HN 0.090 nan 8.230 nan 0.000 0.432 313 S N -0.612 114.963 115.700 -0.208 0.000 2.400 313 S HA -0.275 4.195 4.470 0.001 0.000 0.232 313 S C 1.898 176.439 174.600 -0.098 0.000 1.025 313 S CA 1.427 59.550 58.200 -0.128 0.000 0.993 313 S CB -0.238 62.906 63.200 -0.093 0.000 0.808 313 S HN 0.366 nan 8.310 nan 0.000 0.478 314 Q N 0.569 120.304 119.800 -0.109 0.000 2.172 314 Q HA 0.081 4.421 4.340 0.001 0.000 0.200 314 Q C 1.563 177.616 176.000 0.089 0.000 0.964 314 Q CA 1.040 56.865 55.803 0.037 0.000 0.855 314 Q CB -0.208 28.575 28.738 0.075 0.000 0.918 314 Q HN 0.361 nan 8.270 nan 0.000 0.444 315 L N -0.408 120.743 121.223 -0.120 0.000 2.375 315 L HA 0.078 4.419 4.340 0.001 0.000 0.215 315 L C 1.864 178.693 176.870 -0.068 0.000 1.108 315 L CA 1.319 56.100 54.840 -0.099 0.000 0.830 315 L CB -0.205 41.659 42.059 -0.325 0.000 0.959 315 L HN 0.264 nan 8.230 nan 0.000 0.457 316 S N -1.470 114.177 115.700 -0.089 0.000 2.540 316 S HA 0.095 4.566 4.470 0.001 0.000 0.218 316 S C 0.755 175.325 174.600 -0.051 0.000 0.977 316 S CA -0.649 57.511 58.200 -0.067 0.000 0.918 316 S CB -0.325 62.827 63.200 -0.080 0.000 0.806 316 S HN 0.420 nan 8.310 nan 0.000 0.496 317 K N 1.268 121.637 120.400 -0.052 0.000 2.230 317 K HA 0.330 4.651 4.320 0.001 0.000 0.253 317 K C -2.925 173.633 176.600 -0.069 0.000 1.008 317 K CA -1.549 54.700 56.287 -0.063 0.000 0.910 317 K CB -0.983 31.470 32.500 -0.080 0.000 0.994 317 K HN -0.105 nan 8.250 nan 0.000 0.495 318 P HA -0.088 nan 4.420 nan 0.000 0.257 318 P C 0.486 177.737 177.300 -0.082 0.000 1.162 318 P CA 1.682 64.742 63.100 -0.066 0.000 0.762 318 P CB 0.206 31.867 31.700 -0.066 0.000 0.753 319 G N 3.111 111.882 108.800 -0.047 0.000 2.212 319 G HA2 -0.373 3.588 3.960 0.001 0.000 0.266 319 G HA3 -0.373 3.588 3.960 0.001 0.000 0.266 319 G C 1.184 176.087 174.900 0.005 0.000 0.978 319 G CA 0.537 45.619 45.100 -0.030 0.000 0.632 319 G HN 0.664 nan 8.290 nan 0.000 0.537 320 A N 0.618 123.429 122.820 -0.015 0.000 1.841 320 A HA 0.435 4.756 4.320 0.001 0.000 0.214 320 A C 2.897 180.563 177.584 0.136 0.000 1.195 320 A CA 2.973 55.056 52.037 0.075 0.000 0.611 320 A CB -1.092 17.947 19.000 0.066 0.000 0.835 320 A HN 1.778 nan 8.150 nan 0.000 0.443 321 A N -0.335 122.523 122.820 0.064 0.000 1.908 321 A HA -0.104 4.217 4.320 0.001 0.000 0.218 321 A C 2.187 179.807 177.584 0.060 0.000 1.181 321 A CA 1.653 53.717 52.037 0.045 0.000 0.627 321 A CB -0.658 18.351 19.000 0.015 0.000 0.818 321 A HN 0.484 nan 8.150 nan 0.000 0.445 322 L N -2.273 118.990 121.223 0.067 0.000 2.093 322 L HA -0.159 4.181 4.340 0.001 0.000 0.208 322 L C 2.590 179.516 176.870 0.094 0.000 1.085 322 L CA 1.560 56.439 54.840 0.066 0.000 0.755 322 L CB -0.559 41.533 42.059 0.055 0.000 0.904 322 L HN 0.617 nan 8.230 nan 0.000 0.435 323 Y N 0.832 121.141 120.300 0.015 0.000 2.200 323 Y HA -0.202 4.349 4.550 0.001 0.000 0.290 323 Y C 2.276 178.206 175.900 0.051 0.000 1.137 323 Y CA 1.356 59.469 58.100 0.021 0.000 1.163 323 Y CB -0.238 38.236 38.460 0.023 0.000 0.988 323 Y HN -0.010 nan 8.280 nan 0.000 0.518 324 L N -0.048 121.152 121.223 -0.038 0.000 2.046 324 L HA -0.268 4.073 4.340 0.001 0.000 0.208 324 L C 2.485 179.380 176.870 0.043 0.000 1.077 324 L CA 1.705 56.546 54.840 0.002 0.000 0.747 324 L CB -0.698 41.403 42.059 0.070 0.000 0.896 324 L HN 0.285 nan 8.230 nan 0.000 0.432 325 Q N -0.262 119.548 119.800 0.015 0.000 2.124 325 Q HA -0.172 4.169 4.340 0.001 0.000 0.202 325 Q C 2.413 178.397 176.000 -0.027 0.000 0.977 325 Q CA 1.775 57.592 55.803 0.024 0.000 0.850 325 Q CB -0.161 28.594 28.738 0.029 0.000 0.901 325 Q HN 0.611 nan 8.270 nan 0.000 0.429 326 S N 0.265 115.912 115.700 -0.088 0.000 2.474 326 S HA -0.079 4.392 4.470 0.001 0.000 0.235 326 S C 1.847 176.331 174.600 -0.193 0.000 0.997 326 S CA 0.425 58.557 58.200 -0.113 0.000 0.949 326 S CB -0.148 62.998 63.200 -0.090 0.000 0.766 326 S HN 0.193 nan 8.310 nan 0.000 0.517 327 I N 2.099 122.489 120.570 -0.301 0.000 2.315 327 I HA 0.198 4.368 4.170 0.001 0.000 0.248 327 I C 1.576 177.533 176.117 -0.266 0.000 1.117 327 I CA 1.266 62.313 61.300 -0.421 0.000 1.404 327 I CB -1.977 35.544 38.000 -0.798 0.000 1.071 327 I HN 0.634 nan 8.210 nan 0.000 0.419 328 G N 0.052 108.783 108.800 -0.116 0.000 2.347 328 G HA2 0.030 3.991 3.960 0.001 0.000 0.303 328 G HA3 0.030 3.991 3.960 0.001 0.000 0.303 328 G C -0.952 173.990 174.900 0.070 0.000 1.481 328 G CA -0.887 44.191 45.100 -0.035 0.000 0.914 328 G HN 0.073 nan 8.290 nan 0.000 0.638 329 E N -0.320 119.935 120.200 0.091 0.000 2.452 329 E HA 0.356 4.706 4.350 0.001 0.000 0.261 329 E C 1.444 178.219 176.600 0.291 0.000 0.987 329 E CA 1.683 58.183 56.400 0.166 0.000 0.926 329 E CB 0.619 30.405 29.700 0.145 0.000 0.934 329 E HN 1.953 nan 8.360 nan 0.000 0.452 330 G N 3.181 112.175 108.800 0.323 0.000 2.267 330 G HA2 -0.373 3.587 3.960 0.001 0.000 0.257 330 G HA3 -0.373 3.587 3.960 0.001 0.000 0.257 330 G C 0.624 175.511 174.900 -0.021 0.000 0.998 330 G CA 0.423 45.613 45.100 0.151 0.000 0.620 330 G HN 0.607 nan 8.290 nan 0.000 0.529 331 F N 1.696 121.632 119.950 -0.025 0.000 2.102 331 F HA 0.076 4.604 4.527 0.001 0.000 0.298 331 F C 2.559 178.362 175.800 0.004 0.000 1.105 331 F CA 2.532 60.512 58.000 -0.033 0.000 1.239 331 F CB -0.296 38.655 39.000 -0.083 0.000 0.991 331 F HN 0.270 nan 8.300 nan 0.000 0.474 332 K N -0.102 120.272 120.400 -0.043 0.000 2.063 332 K HA -0.227 4.093 4.320 0.001 0.000 0.208 332 K C 1.834 178.360 176.600 -0.123 0.000 1.048 332 K CA 1.974 58.196 56.287 -0.109 0.000 0.928 332 K CB -0.093 32.399 32.500 -0.012 0.000 0.713 332 K HN 0.188 nan 8.250 nan 0.000 0.442 333 E N 0.354 120.490 120.200 -0.106 0.000 2.072 333 E HA -0.079 4.271 4.350 0.001 0.000 0.190 333 E C 1.820 178.404 176.600 -0.027 0.000 0.982 333 E CA 1.263 57.644 56.400 -0.031 0.000 0.803 333 E CB -0.298 29.288 29.700 -0.191 0.000 0.755 333 E HN 0.424 nan 8.360 nan 0.000 0.453 334 A N 0.604 123.349 122.820 -0.124 0.000 1.877 334 A HA -0.158 4.163 4.320 0.001 0.000 0.216 334 A C 2.488 180.145 177.584 0.120 0.000 1.186 334 A CA 1.483 53.563 52.037 0.071 0.000 0.620 334 A CB -0.833 18.311 19.000 0.239 0.000 0.822 334 A HN 0.149 nan 8.150 nan 0.000 0.443 335 V N -0.101 119.820 119.914 0.012 0.000 2.287 335 V HA -0.322 3.799 4.120 0.001 0.000 0.248 335 V C 2.750 178.894 176.094 0.084 0.000 1.053 335 V CA 2.443 64.763 62.300 0.033 0.000 1.027 335 V CB -0.728 31.008 31.823 -0.145 0.000 0.646 335 V HN 0.773 nan 8.190 nan 0.000 0.447 336 Q N -1.373 118.371 119.800 -0.093 0.000 2.083 336 Q HA -0.171 4.169 4.340 0.001 0.000 0.198 336 Q C 1.984 177.833 176.000 -0.251 0.000 0.969 336 Q CA 1.939 57.593 55.803 -0.248 0.000 0.838 336 Q CB 0.009 28.339 28.738 -0.680 0.000 0.900 336 Q HN 0.784 nan 8.270 nan 0.000 0.436 337 Y N -1.997 118.347 120.300 0.073 0.000 2.481 337 Y HA 0.126 4.676 4.550 0.001 0.000 0.258 337 Y C 1.636 177.522 175.900 -0.024 0.000 1.103 337 Y CA -0.023 58.100 58.100 0.039 0.000 1.287 337 Y CB 0.795 39.256 38.460 0.003 0.000 1.108 337 Y HN -0.057 nan 8.280 nan 0.000 0.529 338 V N -1.122 118.833 119.914 0.068 0.000 2.908 338 V HA -0.082 4.038 4.120 0.001 0.000 0.240 338 V C 2.036 178.011 176.094 -0.199 0.000 1.117 338 V CA 0.489 62.767 62.300 -0.036 0.000 1.133 338 V CB -0.379 31.452 31.823 0.014 0.000 0.857 338 V HN 0.221 nan 8.190 nan 0.000 0.478 339 L N 2.637 123.652 121.223 -0.346 0.000 2.021 339 L HA -0.098 4.242 4.340 0.001 0.000 0.215 339 L C 0.053 176.684 176.870 -0.398 0.000 1.074 339 L CA 2.698 57.213 54.840 -0.541 0.000 0.760 339 L CB -1.651 40.095 42.059 -0.521 0.000 0.889 339 L HN 0.260 nan 8.230 nan 0.000 0.433 340 P HA -0.199 nan 4.420 nan 0.000 0.219 340 P C 1.310 178.454 177.300 -0.261 0.000 1.146 340 P CA 1.478 64.348 63.100 -0.384 0.000 0.808 340 P CB 0.012 31.506 31.700 -0.343 0.000 0.779 341 R N -0.132 120.252 120.500 -0.194 0.000 2.062 341 R HA 0.088 4.428 4.340 0.001 0.000 0.226 341 R C 2.663 178.909 176.300 -0.090 0.000 1.125 341 R CA 1.007 57.033 56.100 -0.123 0.000 0.966 341 R CB -1.589 28.656 30.300 -0.091 0.000 0.861 341 R HN 0.180 nan 8.270 nan 0.000 0.433 342 L N 0.280 121.428 121.223 -0.125 0.000 2.079 342 L HA -0.175 4.165 4.340 0.001 0.000 0.210 342 L C 2.004 178.846 176.870 -0.047 0.000 1.081 342 L CA 1.125 55.917 54.840 -0.080 0.000 0.752 342 L CB -0.575 41.392 42.059 -0.153 0.000 0.896 342 L HN 0.188 nan 8.230 nan 0.000 0.433 343 L N -0.293 120.860 121.223 -0.117 0.000 2.450 343 L HA -0.186 4.154 4.340 0.001 0.000 0.224 343 L C 2.205 179.072 176.870 -0.005 0.000 1.149 343 L CA 0.727 55.530 54.840 -0.062 0.000 0.816 343 L CB -0.262 41.656 42.059 -0.237 0.000 0.932 343 L HN 0.351 nan 8.230 nan 0.000 0.449 344 L N -1.297 119.889 121.223 -0.062 0.000 2.446 344 L HA 0.025 4.366 4.340 0.001 0.000 0.219 344 L C 2.767 179.612 176.870 -0.042 0.000 1.116 344 L CA 0.362 55.127 54.840 -0.125 0.000 0.844 344 L CB -0.519 41.410 42.059 -0.217 0.000 0.970 344 L HN 0.188 nan 8.230 nan 0.000 0.457 345 A N 1.507 124.411 122.820 0.141 0.000 1.915 345 A HA -0.196 4.124 4.320 0.001 0.000 0.220 345 A C -0.099 177.645 177.584 0.266 0.000 1.198 345 A CA 2.079 54.285 52.037 0.281 0.000 0.647 345 A CB -1.838 17.328 19.000 0.276 0.000 0.825 345 A HN 0.273 nan 8.150 nan 0.000 0.456 346 P HA -0.093 nan 4.420 nan 0.000 0.218 346 P C 1.526 178.922 177.300 0.160 0.000 1.148 346 P CA 1.356 64.616 63.100 0.267 0.000 0.822 346 P CB -0.107 31.482 31.700 -0.184 0.000 0.784 347 V N -1.749 118.191 119.914 0.044 0.000 2.307 347 V HA -0.259 3.862 4.120 0.001 0.000 0.245 347 V C 2.103 178.089 176.094 -0.180 0.000 1.045 347 V CA 1.777 64.027 62.300 -0.084 0.000 1.024 347 V CB -1.565 30.134 31.823 -0.207 0.000 0.651 347 V HN 0.018 nan 8.190 nan 0.000 0.449 348 Y N 0.298 120.555 120.300 -0.073 0.000 2.128 348 Y HA -0.262 4.289 4.550 0.001 0.000 0.284 348 Y C 2.671 178.430 175.900 -0.234 0.000 1.154 348 Y CA 2.002 60.026 58.100 -0.126 0.000 1.149 348 Y CB -1.091 37.312 38.460 -0.096 0.000 0.976 348 Y HN 0.370 nan 8.280 nan 0.000 0.505 349 H N -1.188 117.741 119.070 -0.234 0.000 2.319 349 H HA -0.212 4.344 4.556 0.001 0.000 0.299 349 H C 2.449 177.252 175.328 -0.875 0.000 1.092 349 H CA 2.122 57.820 56.048 -0.582 0.000 1.302 349 H CB -0.648 28.468 29.762 -1.075 0.000 1.373 349 H HN 0.442 nan 8.280 nan 0.000 0.497 350 C N -0.153 118.606 119.300 -0.902 0.000 2.435 350 C HA -0.005 4.455 4.460 0.001 0.000 0.279 350 C C 2.744 177.067 174.990 -1.112 0.000 1.321 350 C CA 0.581 58.830 59.018 -1.281 0.000 1.752 350 C CB -1.445 25.550 27.740 -1.240 0.000 1.959 350 C HN 0.627 nan 8.230 nan 0.000 0.500 351 L N -0.068 120.755 121.223 -0.666 0.000 2.083 351 L HA -0.123 4.218 4.340 0.001 0.000 0.209 351 L C 2.568 179.206 176.870 -0.387 0.000 1.083 351 L CA 1.928 56.489 54.840 -0.466 0.000 0.752 351 L CB -0.874 41.108 42.059 -0.129 0.000 0.899 351 L HN 0.473 nan 8.230 nan 0.000 0.433 352 H N -1.125 117.681 119.070 -0.439 0.000 2.457 352 H HA -0.180 4.376 4.556 0.001 0.000 0.294 352 H C 1.979 177.146 175.328 -0.267 0.000 1.064 352 H CA 1.372 57.241 56.048 -0.297 0.000 1.330 352 H CB 0.049 29.653 29.762 -0.263 0.000 1.395 352 H HN 0.170 nan 8.280 nan 0.000 0.541 353 Y N -0.166 119.725 120.300 -0.681 0.000 2.097 353 Y HA -0.238 4.312 4.550 0.001 0.000 0.282 353 Y C 2.181 177.734 175.900 -0.577 0.000 1.152 353 Y CA 1.146 58.820 58.100 -0.709 0.000 1.136 353 Y CB -1.233 36.790 38.460 -0.728 0.000 0.975 353 Y HN 0.230 nan 8.280 nan 0.000 0.498 354 F N 0.113 119.935 119.950 -0.212 0.000 2.120 354 F HA -0.207 4.320 4.527 0.000 0.000 0.300 354 F C 2.473 178.110 175.800 -0.271 0.000 1.095 354 F CA 1.587 59.445 58.000 -0.236 0.000 1.249 354 F CB -1.225 37.676 39.000 -0.165 0.000 0.995 354 F HN 0.075 nan 8.300 nan 0.000 0.480 355 E N 0.510 120.633 120.200 -0.128 0.000 2.112 355 E HA -0.107 4.243 4.350 0.001 0.000 0.190 355 E C 2.255 178.661 176.600 -0.324 0.000 0.979 355 E CA 0.590 56.881 56.400 -0.181 0.000 0.814 355 E CB -0.495 29.135 29.700 -0.117 0.000 0.762 355 E HN 0.386 nan 8.360 nan 0.000 0.460 356 L N 0.155 121.044 121.223 -0.557 0.000 2.012 356 L HA -0.176 4.164 4.340 0.001 0.000 0.210 356 L C 2.225 178.761 176.870 -0.557 0.000 1.073 356 L CA 1.395 55.869 54.840 -0.610 0.000 0.748 356 L CB -0.287 41.301 42.059 -0.785 0.000 0.891 356 L HN 0.276 nan 8.230 nan 0.000 0.431 357 L N -0.399 120.476 121.223 -0.579 0.000 2.083 357 L HA -0.272 4.069 4.340 0.001 0.000 0.209 357 L C 2.681 179.338 176.870 -0.355 0.000 1.083 357 L CA 1.290 55.796 54.840 -0.557 0.000 0.752 357 L CB -0.538 41.211 42.059 -0.517 0.000 0.899 357 L HN 0.286 nan 8.230 nan 0.000 0.433 358 K N -0.107 120.134 120.400 -0.265 0.000 2.025 358 K HA -0.196 4.125 4.320 0.001 0.000 0.207 358 K C 2.180 178.675 176.600 -0.176 0.000 1.049 358 K CA 1.461 57.638 56.287 -0.182 0.000 0.933 358 K CB -0.020 32.398 32.500 -0.136 0.000 0.714 358 K HN 0.390 nan 8.250 nan 0.000 0.438 359 Q N 0.426 120.104 119.800 -0.204 0.000 2.124 359 Q HA -0.125 4.215 4.340 0.001 0.000 0.202 359 Q C 2.203 178.074 176.000 -0.215 0.000 0.977 359 Q CA 1.156 56.852 55.803 -0.177 0.000 0.850 359 Q CB -0.058 28.575 28.738 -0.174 0.000 0.901 359 Q HN 0.292 nan 8.270 nan 0.000 0.429 360 L N 0.656 121.675 121.223 -0.340 0.000 2.046 360 L HA -0.188 4.153 4.340 0.001 0.000 0.208 360 L C 2.655 179.423 176.870 -0.170 0.000 1.077 360 L CA 0.929 55.492 54.840 -0.461 0.000 0.747 360 L CB -0.503 41.150 42.059 -0.677 0.000 0.896 360 L HN 0.271 nan 8.230 nan 0.000 0.432 361 E N 0.837 120.952 120.200 -0.143 0.000 2.058 361 E HA -0.298 4.053 4.350 0.001 0.000 0.194 361 E C 1.964 178.562 176.600 -0.003 0.000 0.997 361 E CA 1.693 58.063 56.400 -0.049 0.000 0.801 361 E CB 0.021 29.669 29.700 -0.087 0.000 0.746 361 E HN 0.490 nan 8.360 nan 0.000 0.450 362 E N -0.166 120.015 120.200 -0.031 0.000 2.150 362 E HA -0.124 4.226 4.350 0.001 0.000 0.193 362 E C 1.584 178.206 176.600 0.036 0.000 0.985 362 E CA 0.873 57.269 56.400 -0.006 0.000 0.814 362 E CB 0.159 29.843 29.700 -0.027 0.000 0.752 362 E HN 0.118 nan 8.360 nan 0.000 0.466 363 K N 0.011 120.446 120.400 0.059 0.000 2.367 363 K HA 0.115 4.435 4.320 0.001 0.000 0.194 363 K C 0.512 177.283 176.600 0.286 0.000 1.027 363 K CA -0.217 56.150 56.287 0.134 0.000 1.075 363 K CB 0.710 33.267 32.500 0.094 0.000 0.845 363 K HN -0.131 nan 8.250 nan 0.000 0.529 364 S N 1.715 117.619 115.700 0.340 0.000 2.552 364 S HA -0.036 4.434 4.470 0.001 0.000 0.289 364 S C 0.707 175.439 174.600 0.219 0.000 1.304 364 S CA 0.004 58.428 58.200 0.372 0.000 1.063 364 S CB 0.431 63.820 63.200 0.315 0.000 0.848 364 S HN 0.134 nan 8.310 nan 0.000 0.499 365 E N 2.781 123.116 120.200 0.224 0.000 2.465 365 E HA 0.155 4.505 4.350 0.001 0.000 0.195 365 E C -0.682 175.847 176.600 -0.117 0.000 1.028 365 E CA 0.070 56.470 56.400 0.001 0.000 0.899 365 E CB 0.261 29.909 29.700 -0.086 0.000 1.032 365 E HN 0.666 nan 8.360 nan 0.000 0.468 366 D N 0.048 120.396 120.400 -0.087 0.000 2.757 366 D HA 0.067 4.707 4.640 0.001 0.000 0.249 366 D C 0.813 177.096 176.300 -0.028 0.000 1.168 366 D CA -0.353 53.591 54.000 -0.094 0.000 0.870 366 D CB 1.572 42.288 40.800 -0.140 0.000 1.411 366 D HN -0.349 nan 8.370 nan 0.000 0.525 367 Q N 2.267 122.049 119.800 -0.031 0.000 2.124 367 Q HA -0.140 4.200 4.340 0.001 0.000 0.202 367 Q C 1.286 177.279 176.000 -0.011 0.000 0.977 367 Q CA 1.755 57.549 55.803 -0.016 0.000 0.850 367 Q CB 0.103 28.827 28.738 -0.022 0.000 0.901 367 Q HN 0.716 nan 8.270 nan 0.000 0.429 368 E N -0.596 119.591 120.200 -0.021 0.000 2.106 368 E HA -0.179 4.171 4.350 0.001 0.000 0.192 368 E C 1.328 177.929 176.600 0.002 0.000 0.984 368 E CA 1.102 57.492 56.400 -0.018 0.000 0.806 368 E CB -0.032 29.649 29.700 -0.031 0.000 0.750 368 E HN 0.464 nan 8.360 nan 0.000 0.458 369 D N 0.406 120.815 120.400 0.015 0.000 2.097 369 D HA -0.144 4.497 4.640 0.001 0.000 0.197 369 D C 1.721 178.069 176.300 0.079 0.000 0.984 369 D CA 1.255 55.293 54.000 0.063 0.000 0.826 369 D CB 0.187 41.037 40.800 0.085 0.000 0.973 369 D HN -0.037 nan 8.370 nan 0.000 0.460 370 K N 0.109 120.548 120.400 0.065 0.000 2.044 370 K HA -0.164 4.156 4.320 0.001 0.000 0.210 370 K C 2.143 178.756 176.600 0.021 0.000 1.049 370 K CA 1.266 57.585 56.287 0.054 0.000 0.927 370 K CB -0.058 32.465 32.500 0.038 0.000 0.713 370 K HN 0.221 nan 8.250 nan 0.000 0.443 371 E N 0.545 120.751 120.200 0.010 0.000 2.058 371 E HA -0.207 4.144 4.350 0.001 0.000 0.194 371 E C 2.282 178.880 176.600 -0.003 0.000 0.997 371 E CA 1.136 57.534 56.400 -0.003 0.000 0.801 371 E CB -0.636 29.059 29.700 -0.008 0.000 0.746 371 E HN 0.344 nan 8.360 nan 0.000 0.450 372 C N 0.919 120.224 119.300 0.008 0.000 2.413 372 C HA -0.128 4.332 4.460 0.001 0.000 0.276 372 C C 2.937 177.931 174.990 0.006 0.000 1.236 372 C CA 0.508 59.534 59.018 0.014 0.000 1.735 372 C CB -1.251 26.509 27.740 0.033 0.000 2.031 372 C HN 0.360 nan 8.230 nan 0.000 0.474 373 L N 0.452 121.675 121.223 0.001 0.000 2.017 373 L HA -0.198 4.143 4.340 0.001 0.000 0.208 373 L C 2.679 179.505 176.870 -0.075 0.000 1.073 373 L CA 1.630 56.436 54.840 -0.056 0.000 0.745 373 L CB -0.681 41.341 42.059 -0.062 0.000 0.894 373 L HN 0.376 nan 8.230 nan 0.000 0.432 374 K N -0.495 119.875 120.400 -0.050 0.000 2.063 374 K HA -0.217 4.103 4.320 0.001 0.000 0.208 374 K C 2.263 178.832 176.600 -0.052 0.000 1.048 374 K CA 1.311 57.566 56.287 -0.054 0.000 0.928 374 K CB -0.107 32.371 32.500 -0.037 0.000 0.713 374 K HN 0.305 nan 8.250 nan 0.000 0.442 375 Q N -0.076 119.703 119.800 -0.035 0.000 2.084 375 Q HA -0.104 4.237 4.340 0.001 0.000 0.202 375 Q C 2.186 178.169 176.000 -0.029 0.000 0.978 375 Q CA 1.519 57.306 55.803 -0.026 0.000 0.844 375 Q CB -0.352 28.379 28.738 -0.012 0.000 0.898 375 Q HN 0.327 nan 8.270 nan 0.000 0.426 376 A N 1.136 123.936 122.820 -0.034 0.000 1.877 376 A HA -0.158 4.162 4.320 0.001 0.000 0.216 376 A C 2.225 179.757 177.584 -0.087 0.000 1.186 376 A CA 1.186 53.199 52.037 -0.041 0.000 0.620 376 A CB -0.759 18.213 19.000 -0.047 0.000 0.822 376 A HN 0.305 nan 8.150 nan 0.000 0.443 377 I N -0.397 120.104 120.570 -0.114 0.000 2.151 377 I HA -0.288 3.882 4.170 0.001 0.000 0.243 377 I C 2.654 178.704 176.117 -0.112 0.000 1.080 377 I CA 1.947 63.170 61.300 -0.129 0.000 1.339 377 I CB -0.761 37.162 38.000 -0.130 0.000 1.039 377 I HN 0.287 nan 8.210 nan 0.000 0.409 378 T N 0.742 115.246 114.554 -0.083 0.000 2.674 378 T HA -0.163 4.187 4.350 0.001 0.000 0.265 378 T C 1.942 176.608 174.700 -0.057 0.000 1.039 378 T CA 1.531 63.589 62.100 -0.069 0.000 1.150 378 T CB -0.365 68.474 68.868 -0.049 0.000 0.864 378 T HN 0.499 nan 8.240 nan 0.000 0.427 379 A N 0.491 123.290 122.820 -0.035 0.000 2.178 379 A HA 0.125 4.445 4.320 0.001 0.000 0.218 379 A C 1.980 179.563 177.584 -0.002 0.000 1.157 379 A CA 0.923 52.957 52.037 -0.005 0.000 0.689 379 A CB -0.609 18.405 19.000 0.023 0.000 0.787 379 A HN 0.517 nan 8.150 nan 0.000 0.465 380 L N -0.945 120.249 121.223 -0.048 0.000 2.640 380 L HA 0.187 4.527 4.340 0.001 0.000 0.230 380 L C 1.743 178.516 176.870 -0.161 0.000 1.123 380 L CA -0.128 54.679 54.840 -0.055 0.000 0.900 380 L CB -0.008 42.020 42.059 -0.053 0.000 1.146 380 L HN 0.334 nan 8.230 nan 0.000 0.484 381 L N -0.035 121.092 121.223 -0.159 0.000 2.079 381 L HA -0.249 4.092 4.340 0.001 0.000 0.210 381 L C 2.212 178.986 176.870 -0.160 0.000 1.081 381 L CA 1.187 55.908 54.840 -0.197 0.000 0.752 381 L CB -0.500 41.477 42.059 -0.136 0.000 0.896 381 L HN 0.451 nan 8.230 nan 0.000 0.433 382 N N -0.259 118.392 118.700 -0.081 0.000 2.106 382 N HA -0.139 4.602 4.740 0.001 0.000 0.188 382 N C 1.909 177.405 175.510 -0.024 0.000 1.029 382 N CA 1.278 54.304 53.050 -0.040 0.000 0.848 382 N CB -0.470 38.018 38.487 0.001 0.000 1.007 382 N HN 0.113 nan 8.380 nan 0.000 0.423 383 V N 1.834 121.757 119.914 0.015 0.000 2.332 383 V HA -0.248 3.872 4.120 0.001 0.000 0.248 383 V C 2.637 178.760 176.094 0.049 0.000 1.055 383 V CA 1.722 64.086 62.300 0.106 0.000 1.038 383 V CB -0.600 31.370 31.823 0.246 0.000 0.651 383 V HN 0.404 nan 8.190 nan 0.000 0.450 384 Q N 0.503 120.150 119.800 -0.254 0.000 2.046 384 Q HA -0.210 4.131 4.340 0.001 0.000 0.200 384 Q C 2.418 178.277 176.000 -0.235 0.000 0.975 384 Q CA 2.393 57.840 55.803 -0.594 0.000 0.836 384 Q CB -0.186 27.735 28.738 -1.363 0.000 0.896 384 Q HN 0.775 nan 8.270 nan 0.000 0.428 385 S N -0.639 114.951 115.700 -0.184 0.000 2.402 385 S HA -0.057 4.413 4.470 0.001 0.000 0.229 385 S C 1.988 176.565 174.600 -0.038 0.000 1.021 385 S CA 0.896 59.037 58.200 -0.099 0.000 0.974 385 S CB -0.755 62.394 63.200 -0.085 0.000 0.800 385 S HN 0.552 nan 8.310 nan 0.000 0.484 386 G N 1.744 110.536 108.800 -0.014 0.000 2.421 386 G HA2 -0.097 3.863 3.960 0.001 0.000 0.216 386 G HA3 -0.097 3.863 3.960 0.001 0.000 0.216 386 G C 1.516 176.442 174.900 0.043 0.000 1.171 386 G CA 0.993 46.107 45.100 0.023 0.000 0.775 386 G HN 0.511 nan 8.290 nan 0.000 0.543 387 M N -0.090 119.557 119.600 0.078 0.000 2.254 387 M HA 0.046 4.527 4.480 0.001 0.000 0.265 387 M C 2.394 178.731 176.300 0.062 0.000 1.066 387 M CA 0.983 56.343 55.300 0.100 0.000 1.123 387 M CB -0.198 32.517 32.600 0.192 0.000 1.388 387 M HN 0.282 nan 8.290 nan 0.000 0.425 388 E N 0.792 121.017 120.200 0.042 0.000 2.085 388 E HA -0.209 4.141 4.350 0.001 0.000 0.194 388 E C 1.876 178.480 176.600 0.006 0.000 0.994 388 E CA 1.275 57.686 56.400 0.018 0.000 0.801 388 E CB 0.144 29.835 29.700 -0.015 0.000 0.743 388 E HN 0.442 nan 8.360 nan 0.000 0.453 389 K N 0.100 120.502 120.400 0.003 0.000 2.057 389 K HA -0.121 4.199 4.320 0.001 0.000 0.207 389 K C 2.186 178.786 176.600 0.000 0.000 1.049 389 K CA 1.122 57.408 56.287 -0.000 0.000 0.931 389 K CB -0.107 32.393 32.500 -0.001 0.000 0.714 389 K HN 0.199 nan 8.250 nan 0.000 0.440 390 I N 0.797 121.370 120.570 0.004 0.000 2.252 390 I HA -0.306 3.864 4.170 0.001 0.000 0.245 390 I C 2.203 178.310 176.117 -0.017 0.000 1.102 390 I CA 0.955 62.252 61.300 -0.005 0.000 1.385 390 I CB -0.298 37.702 38.000 -0.001 0.000 1.064 390 I HN 0.222 nan 8.210 nan 0.000 0.414 391 C N 0.308 119.601 119.300 -0.013 0.000 2.481 391 C HA -0.024 4.436 4.460 0.001 0.000 0.275 391 C C 3.033 178.012 174.990 -0.018 0.000 1.419 391 C CA 0.881 59.883 59.018 -0.026 0.000 1.773 391 C CB -1.222 26.506 27.740 -0.020 0.000 1.862 391 C HN 0.613 nan 8.230 nan 0.000 0.530 392 S N 0.184 115.879 115.700 -0.009 0.000 2.496 392 S HA 0.031 4.501 4.470 0.001 0.000 0.224 392 S C 0.523 175.119 174.600 -0.007 0.000 0.996 392 S CA 0.245 58.442 58.200 -0.006 0.000 0.927 392 S CB -0.321 62.877 63.200 -0.003 0.000 0.774 392 S HN 0.623 nan 8.310 nan 0.000 0.524 393 K N 1.940 122.334 120.400 -0.009 0.000 2.485 393 K HA 0.134 4.454 4.320 0.001 0.000 0.277 393 K C 1.236 177.831 176.600 -0.008 0.000 0.990 393 K CA 0.295 56.578 56.287 -0.007 0.000 0.994 393 K CB 0.445 32.940 32.500 -0.008 0.000 0.906 393 K HN 0.161 nan 8.250 nan 0.000 0.488 394 S N 2.975 118.673 115.700 -0.002 0.000 2.368 394 S HA -0.208 4.262 4.470 0.001 0.000 0.226 394 S C 1.750 176.348 174.600 -0.004 0.000 1.044 394 S CA 1.548 59.748 58.200 -0.000 0.000 1.062 394 S CB -0.151 63.053 63.200 0.006 0.000 0.931 394 S HN 0.526 nan 8.310 nan 0.000 0.440 395 L N 0.861 122.082 121.223 -0.003 0.000 1.989 395 L HA -0.147 4.193 4.340 0.001 0.000 0.211 395 L C 2.951 179.806 176.870 -0.025 0.000 1.071 395 L CA 1.445 56.281 54.840 -0.007 0.000 0.749 395 L CB -0.879 41.181 42.059 0.002 0.000 0.890 395 L HN 0.449 nan 8.230 nan 0.000 0.431 396 A N 0.075 122.874 122.820 -0.035 0.000 1.873 396 A HA -0.305 4.015 4.320 0.001 0.000 0.218 396 A C 2.382 179.933 177.584 -0.056 0.000 1.193 396 A CA 2.269 54.269 52.037 -0.062 0.000 0.629 396 A CB -0.627 18.334 19.000 -0.065 0.000 0.826 396 A HN 0.358 nan 8.150 nan 0.000 0.447 397 K N -0.746 119.634 120.400 -0.033 0.000 2.113 397 K HA -0.205 4.115 4.320 0.001 0.000 0.208 397 K C 2.340 178.931 176.600 -0.014 0.000 1.047 397 K CA 1.736 58.011 56.287 -0.020 0.000 0.928 397 K CB -0.184 32.311 32.500 -0.008 0.000 0.716 397 K HN 0.444 nan 8.250 nan 0.000 0.446 398 R N 0.030 120.521 120.500 -0.016 0.000 2.090 398 R HA -0.039 4.302 4.340 0.001 0.000 0.228 398 R C 2.425 178.710 176.300 -0.025 0.000 1.110 398 R CA 1.276 57.368 56.100 -0.013 0.000 0.973 398 R CB 0.031 30.326 30.300 -0.008 0.000 0.869 398 R HN 0.188 nan 8.270 nan 0.000 0.440 399 R N 0.223 120.696 120.500 -0.045 0.000 2.073 399 R HA -0.103 4.237 4.340 0.001 0.000 0.234 399 R C 2.362 178.636 176.300 -0.043 0.000 1.134 399 R CA 1.333 57.392 56.100 -0.068 0.000 0.952 399 R CB -0.429 29.806 30.300 -0.107 0.000 0.850 399 R HN 0.183 nan 8.270 nan 0.000 0.433 400 L N 0.069 121.264 121.223 -0.047 0.000 2.042 400 L HA -0.205 4.136 4.340 0.001 0.000 0.210 400 L C 2.686 179.651 176.870 0.158 0.000 1.076 400 L CA 1.318 56.170 54.840 0.020 0.000 0.749 400 L CB -0.494 41.533 42.059 -0.053 0.000 0.893 400 L HN 0.234 nan 8.230 nan 0.000 0.432 401 S N -0.448 115.288 115.700 0.061 0.000 2.383 401 S HA -0.189 4.281 4.470 0.001 0.000 0.227 401 S C 1.821 176.421 174.600 0.000 0.000 1.026 401 S CA 1.292 59.512 58.200 0.034 0.000 0.981 401 S CB -0.100 63.106 63.200 0.010 0.000 0.818 401 S HN 0.432 nan 8.310 nan 0.000 0.472 402 E N 0.510 120.704 120.200 -0.011 0.000 2.058 402 E HA -0.052 4.298 4.350 0.001 0.000 0.194 402 E C 1.283 177.841 176.600 -0.070 0.000 0.997 402 E CA 1.439 57.806 56.400 -0.055 0.000 0.801 402 E CB -0.104 29.558 29.700 -0.063 0.000 0.746 402 E HN 0.407 nan 8.360 nan 0.000 0.450 403 S N 0.179 115.881 115.700 0.003 0.000 2.583 403 S HA 0.338 4.809 4.470 0.001 0.000 0.239 403 S C 0.126 174.686 174.600 -0.066 0.000 0.966 403 S CA -0.352 57.846 58.200 -0.002 0.000 0.973 403 S CB 0.709 63.956 63.200 0.079 0.000 0.794 403 S HN 0.265 nan 8.310 nan 0.000 0.463 419 I N 1.515 122.091 120.570 0.009 0.000 3.680 419 I HA -0.069 4.101 4.170 0.001 0.000 0.306 419 I C 1.937 178.044 176.117 -0.018 0.000 1.260 419 I CA 0.322 61.627 61.300 0.008 0.000 1.201 419 I CB -0.131 37.866 38.000 -0.005 0.000 1.009 419 I HN 0.657 nan 8.210 nan 0.000 0.467 420 K N 1.279 121.667 120.400 -0.020 0.000 2.152 420 K HA -0.170 4.150 4.320 0.001 0.000 0.206 420 K C 1.911 178.478 176.600 -0.055 0.000 1.048 420 K CA 1.259 57.523 56.287 -0.037 0.000 0.933 420 K CB -0.022 32.461 32.500 -0.028 0.000 0.721 420 K HN 0.380 nan 8.250 nan 0.000 0.447 421 K N 0.417 120.789 120.400 -0.047 0.000 2.062 421 K HA -0.015 4.306 4.320 0.001 0.000 0.205 421 K C 2.182 178.726 176.600 -0.094 0.000 1.051 421 K CA 1.189 57.424 56.287 -0.087 0.000 0.941 421 K CB -0.074 32.362 32.500 -0.107 0.000 0.719 421 K HN 0.101 nan 8.250 nan 0.000 0.440 422 M N 1.221 120.806 119.600 -0.025 0.000 2.080 422 M HA -0.191 4.290 4.480 0.001 0.000 0.260 422 M C 1.677 177.851 176.300 -0.210 0.000 1.068 422 M CA 1.471 56.733 55.300 -0.063 0.000 1.109 422 M CB -0.397 32.169 32.600 -0.056 0.000 1.342 422 M HN 0.154 nan 8.290 nan 0.000 0.405 423 N N -0.092 118.503 118.700 -0.174 0.000 2.270 423 N HA -0.140 4.601 4.740 0.001 0.000 0.181 423 N C 1.548 176.939 175.510 -0.198 0.000 1.016 423 N CA 1.054 53.981 53.050 -0.205 0.000 0.870 423 N CB -0.237 38.164 38.487 -0.144 0.000 0.979 423 N HN 0.500 nan 8.380 nan 0.000 0.431 424 E N 0.721 120.828 120.200 -0.156 0.000 2.208 424 E HA 0.001 4.351 4.350 0.001 0.000 0.193 424 E C 1.827 178.325 176.600 -0.170 0.000 0.988 424 E CA 0.401 56.722 56.400 -0.133 0.000 0.828 424 E CB 0.165 29.808 29.700 -0.096 0.000 0.763 424 E HN 0.305 nan 8.360 nan 0.000 0.478 425 I N 0.335 120.759 120.570 -0.243 0.000 2.480 425 I HA -0.184 3.986 4.170 0.001 0.000 0.251 425 I C 2.634 178.490 176.117 -0.435 0.000 1.124 425 I CA 0.642 61.720 61.300 -0.370 0.000 1.444 425 I CB -0.185 37.546 38.000 -0.449 0.000 1.098 425 I HN 0.162 nan 8.210 nan 0.000 0.428 426 Q N 1.508 121.025 119.800 -0.471 0.000 2.124 426 Q HA -0.262 4.079 4.340 0.001 0.000 0.202 426 Q C 2.094 177.867 176.000 -0.378 0.000 0.977 426 Q CA 1.559 56.996 55.803 -0.611 0.000 0.850 426 Q CB 0.065 28.293 28.738 -0.850 0.000 0.901 426 Q HN 0.252 nan 8.270 nan 0.000 0.429 427 K N 0.184 120.424 120.400 -0.268 0.000 2.442 427 K HA -0.100 4.221 4.320 0.001 0.000 0.198 427 K C 0.994 177.545 176.600 -0.081 0.000 1.042 427 K CA 1.180 57.374 56.287 -0.156 0.000 0.958 427 K CB 0.007 32.433 32.500 -0.122 0.000 0.766 427 K HN 0.195 nan 8.250 nan 0.000 0.474 428 N N -0.183 118.474 118.700 -0.072 0.000 2.204 428 N HA 0.162 4.903 4.740 0.001 0.000 0.219 428 N C -0.948 174.634 175.510 0.120 0.000 1.151 428 N CA -0.177 52.898 53.050 0.042 0.000 0.867 428 N CB 0.500 39.045 38.487 0.096 0.000 1.043 428 N HN 0.038 nan 8.380 nan 0.000 0.516 429 I N 0.591 121.186 120.570 0.041 0.000 2.389 429 I HA 0.181 4.351 4.170 0.001 0.000 0.288 429 I C -0.706 175.498 176.117 0.145 0.000 0.999 429 I CA -0.840 60.542 61.300 0.137 0.000 1.129 429 I CB 1.623 39.692 38.000 0.114 0.000 1.288 429 I HN -0.015 nan 8.210 nan 0.000 0.444 430 D N 4.410 124.908 120.400 0.163 0.000 2.283 430 D HA 0.393 5.034 4.640 0.001 0.000 0.248 430 D C 0.794 177.187 176.300 0.155 0.000 1.072 430 D CA 0.435 54.514 54.000 0.132 0.000 0.929 430 D CB 1.556 42.415 40.800 0.098 0.000 1.182 430 D HN 0.792 nan 8.370 nan 0.000 0.433 431 G N 2.832 111.716 108.800 0.138 0.000 2.298 431 G HA2 -0.249 3.711 3.960 0.001 0.000 0.287 431 G HA3 -0.249 3.711 3.960 0.001 0.000 0.287 431 G C 0.141 175.129 174.900 0.147 0.000 1.075 431 G CA 0.049 45.221 45.100 0.120 0.000 0.960 431 G HN 0.484 nan 8.290 nan 0.000 0.502 432 W N 0.591 121.891 121.300 -0.001 0.000 2.190 432 W HA 0.514 5.174 4.660 0.001 0.000 0.330 432 W C 0.134 176.651 176.519 -0.003 0.000 1.299 432 W CA 0.155 57.491 57.345 -0.015 0.000 1.215 432 W CB 0.603 30.043 29.460 -0.034 0.000 1.147 432 W HN 0.420 nan 8.180 nan 0.000 0.563 433 E N 2.326 122.069 120.200 -0.761 0.000 2.336 433 E HA 0.542 4.892 4.350 0.001 0.000 0.267 433 E C 0.251 176.515 176.600 -0.560 0.000 0.906 433 E CA -0.365 55.757 56.400 -0.464 0.000 0.781 433 E CB 1.770 31.286 29.700 -0.307 0.000 1.261 433 E HN 0.715 nan 8.360 nan 0.000 0.436 434 G N 1.731 110.429 108.800 -0.170 0.000 2.645 434 G HA2 -0.286 3.675 3.960 0.001 0.000 0.246 434 G HA3 -0.286 3.675 3.960 0.001 0.000 0.246 434 G C -0.436 174.538 174.900 0.124 0.000 1.322 434 G CA -0.348 44.741 45.100 -0.018 0.000 0.898 434 G HN 0.436 nan 8.290 nan 0.000 0.573 435 K N 0.377 120.894 120.400 0.196 0.000 2.118 435 K HA 0.347 4.668 4.320 0.001 0.000 0.240 435 K C 0.086 176.938 176.600 0.419 0.000 1.035 435 K CA -0.459 55.978 56.287 0.250 0.000 0.899 435 K CB 0.165 32.769 32.500 0.172 0.000 1.085 435 K HN 0.532 nan 8.250 nan 0.000 0.498 436 D N 0.682 121.228 120.400 0.242 0.000 2.362 436 D HA -0.009 4.632 4.640 0.001 0.000 0.238 436 D C 1.439 177.779 176.300 0.067 0.000 1.212 436 D CA 0.130 54.181 54.000 0.084 0.000 0.902 436 D CB 0.484 41.243 40.800 -0.069 0.000 1.180 436 D HN 0.364 nan 8.370 nan 0.000 0.445 437 I N 0.484 120.964 120.570 -0.149 0.000 2.286 437 I HA -0.154 4.016 4.170 0.001 0.000 0.248 437 I C 2.283 178.303 176.117 -0.162 0.000 1.115 437 I CA 1.250 62.416 61.300 -0.223 0.000 1.392 437 I CB -0.333 37.325 38.000 -0.570 0.000 1.065 437 I HN 0.443 nan 8.210 nan 0.000 0.418 438 G N -0.268 108.452 108.800 -0.133 0.000 2.509 438 G HA2 -0.173 3.787 3.960 0.001 0.000 0.218 438 G HA3 -0.173 3.787 3.960 0.001 0.000 0.218 438 G C 1.458 176.351 174.900 -0.011 0.000 1.124 438 G CA 0.098 45.160 45.100 -0.063 0.000 0.776 438 G HN 0.334 nan 8.290 nan 0.000 0.547 439 Q N -0.361 119.445 119.800 0.010 0.000 2.282 439 Q HA 0.125 4.466 4.340 0.001 0.000 0.205 439 Q C 1.290 177.334 176.000 0.073 0.000 0.915 439 Q CA 0.637 56.467 55.803 0.045 0.000 0.949 439 Q CB 0.046 28.823 28.738 0.064 0.000 1.035 439 Q HN 0.741 nan 8.270 nan 0.000 0.484 440 C N -5.015 114.325 119.300 0.066 0.000 4.210 440 C HA 0.368 4.829 4.460 0.001 0.000 0.334 440 C C 0.422 175.463 174.990 0.085 0.000 2.231 440 C CA -1.007 58.069 59.018 0.098 0.000 1.540 440 C CB -0.463 27.371 27.740 0.157 0.000 2.780 440 C HN 0.238 nan 8.230 nan 0.000 0.536 441 C N 2.088 121.419 119.300 0.052 0.000 2.707 441 C HA 0.662 5.122 4.460 0.001 0.000 0.313 441 C C 0.745 175.794 174.990 0.099 0.000 1.209 441 C CA -0.150 58.921 59.018 0.088 0.000 1.635 441 C CB 1.664 29.434 27.740 0.051 0.000 2.206 441 C HN 0.589 nan 8.230 nan 0.000 0.485 442 N N 0.395 119.178 118.700 0.139 0.000 2.239 442 N HA 0.124 4.865 4.740 0.001 0.000 0.208 442 N C -0.175 175.424 175.510 0.148 0.000 1.200 442 N CA 0.205 53.325 53.050 0.115 0.000 0.895 442 N CB 1.134 39.671 38.487 0.083 0.000 1.085 442 N HN 0.822 nan 8.380 nan 0.000 0.500 443 E N -0.340 119.988 120.200 0.214 0.000 2.412 443 E HA 0.263 4.614 4.350 0.001 0.000 0.279 443 E C -1.805 174.962 176.600 0.278 0.000 0.984 443 E CA -0.620 55.902 56.400 0.204 0.000 0.788 443 E CB 1.955 31.709 29.700 0.089 0.000 1.277 443 E HN -0.160 nan 8.360 nan 0.000 0.455 444 F N 4.330 124.254 119.950 -0.045 0.000 2.404 444 F HA 0.457 4.984 4.527 0.001 0.000 0.354 444 F C -0.161 175.453 175.800 -0.310 0.000 1.122 444 F CA -0.467 57.289 58.000 -0.406 0.000 1.080 444 F CB 0.555 39.313 39.000 -0.402 0.000 1.131 444 F HN 0.520 nan 8.300 nan 0.000 0.471 445 I N 3.888 123.868 120.570 -0.984 0.000 2.834 445 I HA 0.141 4.311 4.170 0.001 0.000 0.239 445 I C 0.411 175.882 176.117 -1.077 0.000 1.073 445 I CA 0.278 61.104 61.300 -0.790 0.000 1.459 445 I CB 0.010 37.727 38.000 -0.471 0.000 1.288 445 I HN 0.403 nan 8.210 nan 0.000 0.455 446 M N 0.060 118.971 119.600 -1.148 0.000 2.658 446 M HA 0.364 4.844 4.480 0.001 0.000 0.295 446 M C -1.095 174.795 176.300 -0.683 0.000 1.248 446 M CA -0.399 54.323 55.300 -0.963 0.000 0.843 446 M CB 3.269 35.249 32.600 -1.033 0.000 1.749 446 M HN -0.001 nan 8.290 nan 0.000 0.464 447 E N 0.814 120.789 120.200 -0.375 0.000 2.361 447 E HA 0.607 4.958 4.350 0.001 0.000 0.270 447 E C -1.449 175.064 176.600 -0.146 0.000 0.911 447 E CA -0.350 55.945 56.400 -0.174 0.000 0.818 447 E CB 1.481 31.250 29.700 0.115 0.000 1.332 447 E HN 0.848 nan 8.360 nan 0.000 0.402 448 G N 1.636 110.426 108.800 -0.017 0.000 2.911 448 G HA2 0.556 4.517 3.960 0.001 0.000 0.299 448 G HA3 0.556 4.517 3.960 0.001 0.000 0.299 448 G C -0.984 173.949 174.900 0.055 0.000 1.283 448 G CA -0.477 44.736 45.100 0.190 0.000 0.805 448 G HN 0.295 nan 8.290 nan 0.000 0.548 449 T N 0.465 115.123 114.554 0.173 0.000 2.841 449 T HA 0.731 5.081 4.350 0.001 0.000 0.283 449 T C -0.619 174.090 174.700 0.014 0.000 1.000 449 T CA -0.175 61.983 62.100 0.097 0.000 0.977 449 T CB 1.343 70.309 68.868 0.164 0.000 0.979 449 T HN 0.419 nan 8.240 nan 0.000 0.446 450 L N 1.165 122.371 121.223 -0.029 0.000 2.479 450 L HA 0.628 4.968 4.340 0.001 0.000 0.255 450 L C -0.525 176.366 176.870 0.035 0.000 1.026 450 L CA -1.064 53.751 54.840 -0.042 0.000 0.842 450 L CB 2.755 44.718 42.059 -0.160 0.000 1.444 450 L HN 0.526 nan 8.230 nan 0.000 0.409 451 T N 0.880 115.429 114.554 -0.008 0.000 2.786 451 T HA 0.329 4.679 4.350 0.001 0.000 0.283 451 T C -0.367 174.192 174.700 -0.235 0.000 0.992 451 T CA -0.422 61.636 62.100 -0.071 0.000 0.954 451 T CB 1.278 70.112 68.868 -0.057 0.000 0.934 451 T HN 0.413 nan 8.240 nan 0.000 0.440 452 R N 3.565 123.857 120.500 -0.345 0.000 2.242 452 R HA 0.310 4.651 4.340 0.001 0.000 0.334 452 R C -0.401 175.654 176.300 -0.408 0.000 1.071 452 R CA -0.415 55.297 56.100 -0.647 0.000 0.922 452 R CB 0.117 30.033 30.300 -0.639 0.000 1.023 452 R HN 0.429 nan 8.270 nan 0.000 0.458 453 V N 5.977 125.634 119.914 -0.428 0.000 2.479 453 V HA 0.070 4.190 4.120 0.001 0.000 0.284 453 V C 1.442 177.409 176.094 -0.212 0.000 0.981 453 V CA 1.802 63.933 62.300 -0.282 0.000 1.139 453 V CB 0.341 31.953 31.823 -0.351 0.000 0.947 453 V HN 1.195 nan 8.190 nan 0.000 0.468 454 G N 3.683 112.395 108.800 -0.147 0.000 2.380 454 G HA2 -0.032 3.928 3.960 0.001 0.000 0.197 454 G HA3 -0.032 3.928 3.960 0.001 0.000 0.197 454 G C 0.395 175.229 174.900 -0.110 0.000 1.001 454 G CA 0.097 45.131 45.100 -0.111 0.000 0.668 454 G HN 1.292 nan 8.290 nan 0.000 0.483 455 A N 0.445 123.181 122.820 -0.139 0.000 2.272 455 A HA 0.710 5.031 4.320 0.001 0.000 0.275 455 A C 1.409 178.917 177.584 -0.125 0.000 1.096 455 A CA 0.715 52.681 52.037 -0.117 0.000 0.822 455 A CB 0.528 19.454 19.000 -0.123 0.000 1.088 455 A HN 0.219 nan 8.150 nan 0.000 0.495 456 K N 0.021 120.330 120.400 -0.151 0.000 2.202 456 K HA 0.095 4.415 4.320 0.001 0.000 0.201 456 K C -0.119 176.242 176.600 -0.398 0.000 1.051 456 K CA 0.892 57.001 56.287 -0.297 0.000 0.977 456 K CB 0.032 32.291 32.500 -0.402 0.000 0.792 456 K HN 0.737 nan 8.250 nan 0.000 0.469 457 H N 1.803 120.871 119.070 -0.003 0.000 2.538 457 H HA 0.155 4.711 4.556 0.001 0.000 0.353 457 H C -0.550 174.791 175.328 0.020 0.000 1.109 457 H CA -0.933 55.124 56.048 0.016 0.000 1.192 457 H CB 1.619 31.400 29.762 0.032 0.000 1.555 457 H HN 0.152 nan 8.280 nan 0.000 0.518 458 E N 3.009 123.296 120.200 0.146 0.000 2.558 458 E HA 0.068 4.418 4.350 0.001 0.000 0.255 458 E C -0.437 176.249 176.600 0.143 0.000 0.968 458 E CA -0.007 56.457 56.400 0.106 0.000 0.939 458 E CB 0.664 30.424 29.700 0.100 0.000 0.921 458 E HN 0.374 nan 8.360 nan 0.000 0.477 459 R N 2.372 122.948 120.500 0.128 0.000 2.404 459 R HA 0.234 4.574 4.340 0.001 0.000 0.291 459 R C -0.411 175.989 176.300 0.166 0.000 1.025 459 R CA -0.974 55.224 56.100 0.163 0.000 0.991 459 R CB 0.685 31.072 30.300 0.145 0.000 1.053 459 R HN 0.624 nan 8.270 nan 0.000 0.479 460 H N 2.298 121.436 119.070 0.114 0.000 2.610 460 H HA 0.345 4.901 4.556 0.001 0.000 0.336 460 H C -0.559 174.726 175.328 -0.072 0.000 1.087 460 H CA -0.005 56.057 56.048 0.024 0.000 1.405 460 H CB 0.542 30.362 29.762 0.096 0.000 1.460 460 H HN 0.410 nan 8.280 nan 0.000 0.538 461 I N 5.385 125.596 120.570 -0.598 0.000 2.498 461 I HA 0.202 4.372 4.170 0.001 0.000 0.290 461 I C -1.032 174.843 176.117 -0.403 0.000 1.032 461 I CA -0.738 60.369 61.300 -0.322 0.000 1.073 461 I CB 1.515 39.399 38.000 -0.193 0.000 1.251 461 I HN 0.457 nan 8.210 nan 0.000 0.426 462 F N 6.111 126.110 119.950 0.083 0.000 2.411 462 F HA 0.459 4.986 4.527 0.001 0.000 0.352 462 F C -0.103 175.861 175.800 0.273 0.000 1.123 462 F CA -0.523 57.626 58.000 0.249 0.000 1.044 462 F CB 1.353 40.600 39.000 0.411 0.000 1.135 462 F HN 0.214 nan 8.300 nan 0.000 0.461 463 L N 5.104 126.426 121.223 0.165 0.000 2.287 463 L HA 0.551 4.891 4.340 0.001 0.000 0.287 463 L C -1.410 175.340 176.870 -0.199 0.000 1.022 463 L CA -0.360 54.511 54.840 0.051 0.000 0.814 463 L CB 0.661 42.668 42.059 -0.086 0.000 1.217 463 L HN 0.478 nan 8.230 nan 0.000 0.420 464 F N 1.943 121.962 119.950 0.114 0.000 2.575 464 F HA 0.289 4.817 4.527 0.000 0.000 0.330 464 F C 1.474 177.304 175.800 0.050 0.000 1.056 464 F CA -0.737 57.329 58.000 0.109 0.000 0.964 464 F CB 1.039 40.141 39.000 0.171 0.000 1.258 464 F HN 0.562 nan 8.300 nan 0.000 0.484 465 D N -0.306 120.228 120.400 0.223 0.000 2.218 465 D HA -0.100 4.541 4.640 0.001 0.000 0.204 465 D C 1.560 177.952 176.300 0.153 0.000 0.976 465 D CA 1.389 55.469 54.000 0.133 0.000 0.853 465 D CB -0.338 40.525 40.800 0.104 0.000 0.939 465 D HN 0.697 nan 8.370 nan 0.000 0.481 466 G N -0.339 108.580 108.800 0.199 0.000 2.944 466 G HA2 0.380 4.340 3.960 0.001 0.000 0.220 466 G HA3 0.380 4.340 3.960 0.001 0.000 0.220 466 G C 0.573 175.555 174.900 0.136 0.000 1.100 466 G CA -0.258 44.938 45.100 0.160 0.000 0.780 466 G HN 0.191 nan 8.290 nan 0.000 0.539 467 L N 0.367 121.702 121.223 0.187 0.000 2.482 467 L HA 0.525 4.865 4.340 0.001 0.000 0.263 467 L C -1.054 175.974 176.870 0.264 0.000 0.957 467 L CA -0.586 54.331 54.840 0.127 0.000 0.836 467 L CB 2.817 44.872 42.059 -0.007 0.000 1.324 467 L HN -0.013 nan 8.230 nan 0.000 0.406 468 M N 4.765 124.479 119.600 0.191 0.000 2.036 468 M HA 0.525 5.005 4.480 0.001 0.000 0.337 468 M C -1.337 175.031 176.300 0.114 0.000 1.012 468 M CA -0.403 55.019 55.300 0.205 0.000 0.962 468 M CB 0.674 33.387 32.600 0.187 0.000 1.423 468 M HN 0.472 nan 8.290 nan 0.000 0.405 469 I N 4.358 125.057 120.570 0.215 0.000 2.315 469 I HA 0.278 4.449 4.170 0.001 0.000 0.291 469 I C -0.690 175.510 176.117 0.138 0.000 1.006 469 I CA -0.662 60.731 61.300 0.156 0.000 1.265 469 I CB 1.061 39.255 38.000 0.323 0.000 1.387 469 I HN 0.655 nan 8.210 nan 0.000 0.475 470 C N 5.842 125.134 119.300 -0.013 0.000 2.255 470 C HA 0.559 5.019 4.460 0.001 0.000 0.326 470 C C 0.403 175.450 174.990 0.094 0.000 1.258 470 C CA -0.667 58.363 59.018 0.020 0.000 1.676 470 C CB -0.453 27.258 27.740 -0.050 0.000 2.314 470 C HN 0.802 nan 8.230 nan 0.000 0.509 471 C N 2.369 121.784 119.300 0.192 0.000 2.771 471 C HA 0.723 5.184 4.460 0.001 0.000 0.333 471 C C -0.059 175.111 174.990 0.299 0.000 1.267 471 C CA -0.850 58.330 59.018 0.270 0.000 1.721 471 C CB 1.578 29.555 27.740 0.395 0.000 2.222 471 C HN 0.881 nan 8.230 nan 0.000 0.485 472 K N 0.828 121.407 120.400 0.298 0.000 2.244 472 K HA 0.475 4.796 4.320 0.001 0.000 0.260 472 K C -0.513 176.241 176.600 0.256 0.000 0.951 472 K CA 0.144 56.571 56.287 0.232 0.000 0.826 472 K CB 1.399 33.981 32.500 0.135 0.000 1.108 472 K HN 0.731 nan 8.250 nan 0.000 0.433 473 S N 3.201 119.008 115.700 0.178 0.000 2.499 473 S HA 0.224 4.694 4.470 0.001 0.000 0.275 473 S C -0.171 174.388 174.600 -0.069 0.000 1.257 473 S CA -0.548 57.642 58.200 -0.017 0.000 1.050 473 S CB 0.241 63.414 63.200 -0.045 0.000 0.937 473 S HN 0.697 nan 8.310 nan 0.000 0.490 474 N N 2.947 121.578 118.700 -0.115 0.000 2.338 474 N HA 0.057 4.797 4.740 0.001 0.000 0.251 474 N C -0.711 174.744 175.510 -0.092 0.000 1.199 474 N CA -0.202 52.798 53.050 -0.083 0.000 0.879 474 N CB 0.080 38.534 38.487 -0.054 0.000 1.159 474 N HN 0.745 nan 8.380 nan 0.000 0.514 475 H N 0.404 119.351 119.070 -0.206 0.000 3.107 475 H HA 0.242 4.798 4.556 0.001 0.000 0.301 475 H C 1.543 176.804 175.328 -0.110 0.000 0.981 475 H CA 1.804 57.743 56.048 -0.181 0.000 1.443 475 H CB 0.060 29.700 29.762 -0.204 0.000 1.479 475 H HN 0.494 nan 8.280 nan 0.000 0.564 476 G N 3.572 112.021 108.800 -0.584 0.000 2.245 476 G HA2 -0.306 3.654 3.960 0.001 0.000 0.264 476 G HA3 -0.306 3.654 3.960 0.001 0.000 0.264 476 G C 0.321 175.100 174.900 -0.201 0.000 0.985 476 G CA 0.421 45.272 45.100 -0.415 0.000 0.625 476 G HN 0.718 nan 8.290 nan 0.000 0.536 477 Q N 1.628 121.339 119.800 -0.149 0.000 2.373 477 Q HA 0.392 4.733 4.340 0.001 0.000 0.255 477 Q C -1.984 173.968 176.000 -0.080 0.000 0.980 477 Q CA -1.227 54.519 55.803 -0.095 0.000 0.882 477 Q CB 0.890 29.583 28.738 -0.076 0.000 1.249 477 Q HN 0.361 nan 8.270 nan 0.000 0.438 478 P HA 0.111 nan 4.420 nan 0.000 0.271 478 P C -0.918 176.361 177.300 -0.036 0.000 1.216 478 P CA 0.050 63.122 63.100 -0.046 0.000 0.771 478 P CB 0.827 32.506 31.700 -0.036 0.000 0.864 479 R N 1.423 121.904 120.500 -0.032 0.000 2.807 479 R HA 0.563 4.903 4.340 0.001 0.000 0.276 479 R C -0.125 176.166 176.300 -0.016 0.000 0.979 479 R CA -0.989 55.098 56.100 -0.022 0.000 0.928 479 R CB 0.970 31.257 30.300 -0.021 0.000 1.191 479 R HN 0.409 nan 8.270 nan 0.000 0.471 480 L N 3.717 124.934 121.223 -0.010 0.000 2.436 480 L HA 0.383 4.724 4.340 0.001 0.000 0.265 480 L C -1.621 175.245 176.870 -0.007 0.000 1.168 480 L CA -1.720 53.116 54.840 -0.007 0.000 0.815 480 L CB 0.602 42.659 42.059 -0.003 0.000 1.109 480 L HN 0.383 nan 8.230 nan 0.000 0.462 481 P HA 0.022 nan 4.420 nan 0.000 0.268 481 P C 0.616 177.914 177.300 -0.003 0.000 1.205 481 P CA 0.556 63.653 63.100 -0.006 0.000 0.771 481 P CB 1.042 32.739 31.700 -0.006 0.000 0.858 482 G N 1.388 110.186 108.800 -0.003 0.000 2.225 482 G HA2 -0.199 3.762 3.960 0.001 0.000 0.254 482 G HA3 -0.199 3.762 3.960 0.001 0.000 0.254 482 G C 0.415 175.316 174.900 0.001 0.000 0.988 482 G CA 0.207 45.307 45.100 -0.001 0.000 0.625 482 G HN 0.909 nan 8.290 nan 0.000 0.527 483 A N 0.156 122.977 122.820 0.001 0.000 2.287 483 A HA 0.776 5.096 4.320 0.001 0.000 0.273 483 A C 1.025 178.612 177.584 0.004 0.000 1.091 483 A CA 1.092 53.131 52.037 0.004 0.000 0.817 483 A CB 0.618 19.620 19.000 0.003 0.000 1.069 483 A HN 1.711 nan 8.150 nan 0.000 0.492 484 S N -0.002 115.704 115.700 0.010 0.000 2.552 484 S HA -0.006 4.465 4.470 0.001 0.000 0.289 484 S C 0.688 175.292 174.600 0.006 0.000 1.304 484 S CA -0.192 58.016 58.200 0.013 0.000 1.063 484 S CB -0.198 63.017 63.200 0.026 0.000 0.848 484 S HN 0.623 nan 8.310 nan 0.000 0.499 485 N N 2.379 121.081 118.700 0.004 0.000 2.205 485 N HA 0.182 4.923 4.740 0.001 0.000 0.201 485 N C 0.130 175.643 175.510 0.004 0.000 1.128 485 N CA 0.118 53.166 53.050 -0.003 0.000 0.867 485 N CB 0.346 38.829 38.487 -0.007 0.000 0.996 485 N HN 0.699 nan 8.380 nan 0.000 0.503 486 A N 1.036 123.868 122.820 0.020 0.000 2.565 486 A HA -0.018 4.302 4.320 0.001 0.000 0.237 486 A C 1.243 178.844 177.584 0.028 0.000 1.053 486 A CA 0.164 52.227 52.037 0.044 0.000 0.755 486 A CB 0.384 19.426 19.000 0.070 0.000 0.980 486 A HN 0.256 nan 8.150 nan 0.000 0.506 487 E N 0.515 120.723 120.200 0.014 0.000 2.150 487 E HA -0.113 4.237 4.350 0.001 0.000 0.193 487 E C -0.558 175.852 176.600 -0.316 0.000 0.985 487 E CA 1.147 57.443 56.400 -0.174 0.000 0.814 487 E CB -0.051 29.451 29.700 -0.330 0.000 0.752 487 E HN 0.770 nan 8.360 nan 0.000 0.466 488 Y N -0.827 119.535 120.300 0.104 0.000 2.587 488 Y HA 0.509 5.059 4.550 0.001 0.000 0.337 488 Y C 0.033 176.002 175.900 0.115 0.000 1.065 488 Y CA -1.302 56.878 58.100 0.134 0.000 1.126 488 Y CB 1.159 39.759 38.460 0.233 0.000 1.279 488 Y HN -0.259 nan 8.280 nan 0.000 0.489 489 R N 1.568 122.245 120.500 0.296 0.000 2.513 489 R HA 0.496 4.837 4.340 0.001 0.000 0.301 489 R C -1.852 174.566 176.300 0.197 0.000 0.968 489 R CA -0.832 55.385 56.100 0.195 0.000 0.872 489 R CB 0.922 31.297 30.300 0.125 0.000 1.177 489 R HN 0.701 nan 8.270 nan 0.000 0.444 490 L N 4.202 125.526 121.223 0.168 0.000 2.490 490 L HA 0.197 4.537 4.340 0.001 0.000 0.274 490 L C 0.027 176.930 176.870 0.056 0.000 1.201 490 L CA 1.002 55.911 54.840 0.115 0.000 0.869 490 L CB 0.576 42.676 42.059 0.069 0.000 1.123 490 L HN 0.744 nan 8.230 nan 0.000 0.484 491 K N 2.691 123.105 120.400 0.024 0.000 2.418 491 K HA 0.301 4.621 4.320 0.001 0.000 0.208 491 K C -0.236 176.316 176.600 -0.079 0.000 1.261 491 K CA 0.392 56.678 56.287 -0.002 0.000 0.874 491 K CB 0.253 32.771 32.500 0.029 0.000 1.451 491 K HN 0.554 nan 8.250 nan 0.000 0.466 492 E N 0.922 121.017 120.200 -0.175 0.000 2.224 492 E HA 0.275 4.626 4.350 0.001 0.000 0.265 492 E C -1.190 175.108 176.600 -0.502 0.000 0.878 492 E CA -0.358 55.800 56.400 -0.404 0.000 0.759 492 E CB 2.544 31.794 29.700 -0.749 0.000 1.164 492 E HN -0.085 nan 8.360 nan 0.000 0.414 493 K N 4.025 124.187 120.400 -0.398 0.000 2.464 493 K HA 0.351 4.672 4.320 0.001 0.000 0.252 493 K C -1.266 175.273 176.600 -0.102 0.000 1.000 493 K CA -0.520 55.565 56.287 -0.336 0.000 0.951 493 K CB 0.371 32.620 32.500 -0.418 0.000 1.183 493 K HN 0.264 nan 8.250 nan 0.000 0.445 494 F N 3.860 123.745 119.950 -0.108 0.000 2.420 494 F HA 0.396 4.923 4.527 0.001 0.000 0.342 494 F C -0.091 175.649 175.800 -0.100 0.000 1.113 494 F CA -1.280 56.713 58.000 -0.012 0.000 1.059 494 F CB 0.559 39.599 39.000 0.067 0.000 1.128 494 F HN 0.302 nan 8.300 nan 0.000 0.475 495 F N 3.890 123.976 119.950 0.227 0.000 2.424 495 F HA 0.291 4.818 4.527 0.001 0.000 0.356 495 F C 0.544 176.411 175.800 0.112 0.000 1.110 495 F CA -0.714 57.367 58.000 0.136 0.000 1.161 495 F CB 0.546 39.596 39.000 0.083 0.000 1.115 495 F HN 0.143 nan 8.300 nan 0.000 0.507 496 M N 5.739 125.479 119.600 0.234 0.000 2.455 496 M HA 0.229 4.709 4.480 0.001 0.000 0.331 496 M C 0.042 176.425 176.300 0.137 0.000 1.481 496 M CA 0.705 56.105 55.300 0.165 0.000 1.362 496 M CB -0.310 32.373 32.600 0.139 0.000 1.564 496 M HN 0.668 nan 8.290 nan 0.000 0.458 497 R N 1.072 121.636 120.500 0.108 0.000 2.485 497 R HA 0.203 4.544 4.340 0.001 0.000 0.250 497 R C -0.374 175.947 176.300 0.035 0.000 0.688 497 R CA -0.311 55.828 56.100 0.066 0.000 0.904 497 R CB 0.868 31.212 30.300 0.074 0.000 1.367 497 R HN 0.335 nan 8.270 nan 0.000 0.585 498 K N 0.954 121.374 120.400 0.034 0.000 2.509 498 K HA 0.402 4.722 4.320 0.001 0.000 0.266 498 K C -0.071 176.541 176.600 0.020 0.000 0.987 498 K CA -0.750 55.546 56.287 0.015 0.000 0.868 498 K CB 2.857 35.361 32.500 0.006 0.000 1.421 498 K HN -0.120 nan 8.250 nan 0.000 0.444 499 V N 1.831 121.757 119.914 0.021 0.000 3.209 499 V HA -0.040 4.081 4.120 0.001 0.000 0.305 499 V C 0.149 176.284 176.094 0.067 0.000 1.127 499 V CA 0.511 62.840 62.300 0.047 0.000 1.235 499 V CB 0.238 32.092 31.823 0.051 0.000 0.987 499 V HN 0.596 nan 8.190 nan 0.000 0.499 500 Q N 2.238 122.097 119.800 0.097 0.000 2.275 500 Q HA 0.535 4.876 4.340 0.001 0.000 0.266 500 Q C -1.628 174.433 176.000 0.102 0.000 1.002 500 Q CA -0.634 55.226 55.803 0.095 0.000 0.761 500 Q CB 2.223 30.993 28.738 0.054 0.000 1.255 500 Q HN 0.530 nan 8.270 nan 0.000 0.446 501 I N 1.955 122.596 120.570 0.118 0.000 2.493 501 I HA 0.255 4.425 4.170 0.001 0.000 0.298 501 I C -0.026 176.172 176.117 0.135 0.000 0.998 501 I CA -0.666 60.702 61.300 0.113 0.000 1.137 501 I CB 1.566 39.628 38.000 0.104 0.000 1.310 501 I HN 0.457 nan 8.210 nan 0.000 0.445 502 N N 3.286 122.054 118.700 0.114 0.000 2.518 502 N HA 0.297 5.037 4.740 0.001 0.000 0.283 502 N C -1.411 174.196 175.510 0.161 0.000 1.119 502 N CA -0.054 53.078 53.050 0.137 0.000 0.983 502 N CB 0.655 39.219 38.487 0.128 0.000 1.139 502 N HN 0.370 nan 8.380 nan 0.000 0.465 503 D N 1.340 121.854 120.400 0.189 0.000 2.646 503 D HA 0.320 4.961 4.640 0.001 0.000 0.245 503 D C -0.356 176.078 176.300 0.224 0.000 1.099 503 D CA -0.433 53.684 54.000 0.196 0.000 0.849 503 D CB 1.266 42.184 40.800 0.197 0.000 1.448 503 D HN 0.273 nan 8.370 nan 0.000 0.489 504 K N 1.247 121.759 120.400 0.187 0.000 2.168 504 K HA 0.213 4.533 4.320 0.001 0.000 0.258 504 K C 0.038 176.722 176.600 0.140 0.000 1.010 504 K CA -0.499 55.878 56.287 0.150 0.000 0.929 504 K CB 0.787 33.343 32.500 0.093 0.000 0.998 504 K HN 0.378 nan 8.250 nan 0.000 0.479 505 D N 1.270 121.728 120.400 0.096 0.000 2.419 505 D HA -0.026 4.614 4.640 0.001 0.000 0.236 505 D C -0.252 175.944 176.300 -0.174 0.000 1.165 505 D CA 0.780 54.781 54.000 0.001 0.000 0.882 505 D CB 0.605 41.414 40.800 0.015 0.000 1.201 505 D HN 0.322 nan 8.370 nan 0.000 0.443 506 D N -0.735 119.411 120.400 -0.423 0.000 2.879 506 D HA 0.121 4.762 4.640 0.001 0.000 0.236 506 D C 0.467 176.549 176.300 -0.363 0.000 1.171 506 D CA -0.537 53.173 54.000 -0.483 0.000 0.868 506 D CB 1.654 41.941 40.800 -0.854 0.000 1.598 506 D HN 0.032 nan 8.370 nan 0.000 0.497 507 T N 1.572 115.995 114.554 -0.219 0.000 2.918 507 T HA -0.177 4.173 4.350 0.001 0.000 0.271 507 T C 1.270 175.877 174.700 -0.154 0.000 1.104 507 T CA 0.785 62.797 62.100 -0.147 0.000 1.114 507 T CB -0.265 68.544 68.868 -0.097 0.000 0.855 507 T HN 0.335 nan 8.240 nan 0.000 0.518 508 N N 1.504 120.068 118.700 -0.227 0.000 2.654 508 N HA -0.103 4.637 4.740 0.001 0.000 0.204 508 N C 0.719 176.169 175.510 -0.101 0.000 1.446 508 N CA 0.323 53.278 53.050 -0.159 0.000 0.895 508 N CB -0.611 37.774 38.487 -0.170 0.000 1.132 508 N HN 0.478 nan 8.380 nan 0.000 0.462 509 E N -1.782 118.353 120.200 -0.108 0.000 3.912 509 E HA -0.310 4.040 4.350 0.001 0.000 0.335 509 E C -0.751 175.843 176.600 -0.009 0.000 0.654 509 E CA 1.073 57.441 56.400 -0.053 0.000 1.177 509 E CB -1.502 28.186 29.700 -0.020 0.000 1.650 509 E HN 0.675 nan 8.360 nan 0.000 0.430 510 Y N 0.969 121.228 120.300 -0.067 0.000 2.350 510 Y HA 0.632 5.182 4.550 0.001 0.000 0.340 510 Y C -0.212 175.643 175.900 -0.074 0.000 1.006 510 Y CA -0.739 57.315 58.100 -0.078 0.000 1.166 510 Y CB 0.817 39.230 38.460 -0.079 0.000 1.168 510 Y HN -0.215 nan 8.280 nan 0.000 0.502 511 K N 3.247 123.711 120.400 0.107 0.000 2.443 511 K HA 0.350 4.670 4.320 0.001 0.000 0.251 511 K C -1.050 175.591 176.600 0.067 0.000 0.972 511 K CA -1.257 55.029 56.287 -0.002 0.000 0.833 511 K CB 1.572 33.900 32.500 -0.288 0.000 1.317 511 K HN 0.967 nan 8.250 nan 0.000 0.441 512 H N -0.958 118.214 119.070 0.169 0.000 2.819 512 H HA -0.182 4.374 4.556 0.001 0.000 0.323 512 H C -0.823 174.600 175.328 0.158 0.000 1.243 512 H CA -0.027 56.125 56.048 0.173 0.000 1.163 512 H CB -1.116 28.738 29.762 0.153 0.000 1.493 512 H HN 0.628 nan 8.280 nan 0.000 0.434 513 A N 1.001 123.978 122.820 0.261 0.000 2.350 513 A HA 0.871 5.192 4.320 0.001 0.000 0.318 513 A C -0.395 177.256 177.584 0.113 0.000 1.132 513 A CA -0.390 51.668 52.037 0.034 0.000 0.811 513 A CB 1.624 20.549 19.000 -0.124 0.000 1.313 513 A HN 0.375 nan 8.150 nan 0.000 0.454 514 F N -1.512 118.450 119.950 0.020 0.000 2.668 514 F HA 0.750 5.278 4.527 0.001 0.000 0.309 514 F C -0.853 174.960 175.800 0.022 0.000 1.117 514 F CA -0.806 57.204 58.000 0.017 0.000 0.951 514 F CB 1.417 40.412 39.000 -0.007 0.000 1.323 514 F HN 0.648 nan 8.300 nan 0.000 0.451 515 E N 2.398 122.743 120.200 0.241 0.000 2.171 515 E HA 0.605 4.955 4.350 0.001 0.000 0.271 515 E C -1.506 175.235 176.600 0.236 0.000 0.916 515 E CA -0.739 55.752 56.400 0.153 0.000 0.774 515 E CB 1.620 31.364 29.700 0.074 0.000 1.128 515 E HN 0.735 nan 8.360 nan 0.000 0.403 516 I N 5.686 126.387 120.570 0.218 0.000 2.359 516 I HA 0.324 4.495 4.170 0.001 0.000 0.294 516 I C -0.247 175.893 176.117 0.039 0.000 0.987 516 I CA -0.765 60.630 61.300 0.158 0.000 1.225 516 I CB 1.338 39.454 38.000 0.193 0.000 1.366 516 I HN 0.475 nan 8.210 nan 0.000 0.466 517 I N 7.203 127.782 120.570 0.015 0.000 2.382 517 I HA 0.369 4.540 4.170 0.001 0.000 0.285 517 I C -0.274 175.811 176.117 -0.054 0.000 1.007 517 I CA -0.401 60.887 61.300 -0.021 0.000 1.142 517 I CB 1.188 39.193 38.000 0.009 0.000 1.289 517 I HN 0.336 nan 8.210 nan 0.000 0.453 518 L N 5.365 126.524 121.223 -0.106 0.000 2.387 518 L HA 0.435 4.775 4.340 0.001 0.000 0.266 518 L C 0.548 177.383 176.870 -0.059 0.000 1.059 518 L CA -1.024 53.753 54.840 -0.106 0.000 0.801 518 L CB 1.142 43.080 42.059 -0.201 0.000 1.223 518 L HN 0.494 nan 8.230 nan 0.000 0.456 519 K N 1.401 121.777 120.400 -0.041 0.000 2.436 519 K HA -0.036 4.284 4.320 0.001 0.000 0.282 519 K C -0.344 176.236 176.600 -0.034 0.000 1.044 519 K CA 0.183 56.450 56.287 -0.033 0.000 1.028 519 K CB 0.204 32.684 32.500 -0.034 0.000 0.919 519 K HN 0.563 nan 8.250 nan 0.000 0.474 520 D N 1.545 121.929 120.400 -0.027 0.000 3.059 520 D HA -0.208 4.432 4.640 0.001 0.000 0.222 520 D C -0.182 176.105 176.300 -0.022 0.000 1.185 520 D CA 1.367 55.353 54.000 -0.022 0.000 0.904 520 D CB -0.358 40.429 40.800 -0.022 0.000 1.122 520 D HN 0.620 nan 8.370 nan 0.000 0.410 521 E N -0.307 119.874 120.200 -0.031 0.000 2.259 521 E HA 0.334 4.685 4.350 0.001 0.000 0.257 521 E C 0.291 176.869 176.600 -0.036 0.000 0.998 521 E CA -0.773 55.608 56.400 -0.032 0.000 0.866 521 E CB 0.875 30.544 29.700 -0.052 0.000 1.220 521 E HN -0.020 nan 8.360 nan 0.000 0.415 522 N N 0.775 119.457 118.700 -0.029 0.000 2.518 522 N HA 0.069 4.809 4.740 0.001 0.000 0.283 522 N C -0.323 175.160 175.510 -0.045 0.000 1.119 522 N CA -0.083 52.951 53.050 -0.026 0.000 0.983 522 N CB 1.163 39.643 38.487 -0.012 0.000 1.139 522 N HN 0.391 nan 8.380 nan 0.000 0.465 523 S N 0.173 115.851 115.700 -0.036 0.000 2.573 523 S HA 0.294 4.764 4.470 0.001 0.000 0.277 523 S C 0.142 174.721 174.600 -0.035 0.000 1.346 523 S CA -0.562 57.616 58.200 -0.036 0.000 1.034 523 S CB 0.501 63.691 63.200 -0.015 0.000 0.879 523 S HN 0.246 nan 8.310 nan 0.000 0.528 524 V N 2.675 122.581 119.914 -0.013 0.000 2.709 524 V HA 0.497 4.617 4.120 0.001 0.000 0.308 524 V C -0.318 175.755 176.094 -0.035 0.000 1.062 524 V CA -0.752 61.540 62.300 -0.014 0.000 0.901 524 V CB 1.607 33.524 31.823 0.156 0.000 1.003 524 V HN 0.912 nan 8.190 nan 0.000 0.425 525 I N 4.153 124.572 120.570 -0.251 0.000 2.404 525 I HA 0.541 4.711 4.170 0.001 0.000 0.293 525 I C -1.031 174.725 176.117 -0.602 0.000 0.992 525 I CA -0.233 60.859 61.300 -0.348 0.000 1.149 525 I CB 1.632 39.365 38.000 -0.444 0.000 1.315 525 I HN 0.411 nan 8.210 nan 0.000 0.446 526 F N 3.146 122.680 119.950 -0.695 0.000 2.523 526 F HA 0.565 5.093 4.527 0.001 0.000 0.329 526 F C 0.448 175.814 175.800 -0.724 0.000 1.061 526 F CA -0.692 56.878 58.000 -0.716 0.000 0.967 526 F CB 2.000 40.496 39.000 -0.840 0.000 1.218 526 F HN 0.258 nan 8.300 nan 0.000 0.480 527 S N 0.848 116.391 115.700 -0.262 0.000 2.557 527 S HA 0.859 5.330 4.470 0.001 0.000 0.291 527 S C -0.908 173.675 174.600 -0.028 0.000 1.116 527 S CA -0.451 57.667 58.200 -0.136 0.000 0.992 527 S CB 0.981 64.129 63.200 -0.087 0.000 1.028 527 S HN 0.892 nan 8.310 nan 0.000 0.484 528 A N 3.686 126.559 122.820 0.088 0.000 2.269 528 A HA 0.615 4.936 4.320 0.001 0.000 0.327 528 A C 0.849 178.553 177.584 0.200 0.000 1.112 528 A CA -0.614 51.513 52.037 0.149 0.000 0.865 528 A CB 0.618 19.767 19.000 0.247 0.000 1.227 528 A HN 0.945 nan 8.150 nan 0.000 0.498 529 K N -0.031 120.485 120.400 0.193 0.000 2.148 529 K HA -0.032 4.288 4.320 0.001 0.000 0.204 529 K C 0.613 177.386 176.600 0.288 0.000 1.050 529 K CA 1.645 58.045 56.287 0.187 0.000 0.942 529 K CB -0.171 32.419 32.500 0.150 0.000 0.724 529 K HN 0.791 nan 8.250 nan 0.000 0.446 530 S N -2.106 113.797 115.700 0.338 0.000 2.705 530 S HA 0.559 5.029 4.470 0.001 0.000 0.280 530 S C 0.522 175.071 174.600 -0.085 0.000 1.174 530 S CA -0.506 57.877 58.200 0.304 0.000 0.823 530 S CB 1.544 64.835 63.200 0.150 0.000 1.162 530 S HN -0.014 nan 8.310 nan 0.000 0.487 531 A N 0.373 122.891 122.820 -0.504 0.000 1.968 531 A HA 0.091 4.411 4.320 0.001 0.000 0.217 531 A C 1.809 179.351 177.584 -0.071 0.000 1.169 531 A CA 1.256 53.017 52.037 -0.460 0.000 0.638 531 A CB -0.996 17.797 19.000 -0.345 0.000 0.812 531 A HN 0.867 nan 8.150 nan 0.000 0.446 532 E N -0.285 119.907 120.200 -0.015 0.000 2.072 532 E HA -0.196 4.155 4.350 0.001 0.000 0.191 532 E C 1.952 178.589 176.600 0.063 0.000 0.985 532 E CA 1.234 57.651 56.400 0.027 0.000 0.801 532 E CB -0.137 29.577 29.700 0.024 0.000 0.750 532 E HN 0.730 nan 8.360 nan 0.000 0.452 533 E N 0.983 121.252 120.200 0.115 0.000 2.072 533 E HA -0.195 4.156 4.350 0.001 0.000 0.191 533 E C 2.089 178.888 176.600 0.331 0.000 0.985 533 E CA 0.842 57.373 56.400 0.218 0.000 0.801 533 E CB 0.065 29.927 29.700 0.271 0.000 0.750 533 E HN 0.035 nan 8.360 nan 0.000 0.452 534 K N 0.611 121.174 120.400 0.273 0.000 2.103 534 K HA -0.185 4.136 4.320 0.001 0.000 0.207 534 K C 1.724 178.452 176.600 0.215 0.000 1.048 534 K CA 1.443 57.918 56.287 0.314 0.000 0.930 534 K CB 0.049 32.709 32.500 0.266 0.000 0.716 534 K HN 0.036 nan 8.250 nan 0.000 0.444 535 N N 1.354 120.149 118.700 0.158 0.000 2.120 535 N HA -0.146 4.595 4.740 0.001 0.000 0.188 535 N C 1.431 176.967 175.510 0.044 0.000 1.024 535 N CA 1.174 54.308 53.050 0.141 0.000 0.852 535 N CB -0.580 37.971 38.487 0.108 0.000 1.003 535 N HN 0.306 nan 8.380 nan 0.000 0.424 536 N N 0.206 118.897 118.700 -0.015 0.000 2.120 536 N HA -0.146 4.594 4.740 0.001 0.000 0.188 536 N C 1.740 177.086 175.510 -0.274 0.000 1.024 536 N CA 0.892 53.841 53.050 -0.169 0.000 0.852 536 N CB -0.431 37.907 38.487 -0.249 0.000 1.003 536 N HN 0.399 nan 8.380 nan 0.000 0.424 537 W N 1.247 122.464 121.300 -0.138 0.000 2.381 537 W HA 0.077 4.738 4.660 0.001 0.000 0.301 537 W C 2.457 178.747 176.519 -0.382 0.000 1.205 537 W CA 0.354 57.549 57.345 -0.251 0.000 1.285 537 W CB -0.266 29.049 29.460 -0.241 0.000 1.133 537 W HN -0.020 nan 8.180 nan 0.000 0.521 538 M N -0.000 119.483 119.600 -0.194 0.000 2.175 538 M HA -0.081 4.399 4.480 0.001 0.000 0.264 538 M C 2.256 178.445 176.300 -0.186 0.000 1.063 538 M CA 1.727 56.808 55.300 -0.365 0.000 1.119 538 M CB -2.007 30.230 32.600 -0.605 0.000 1.377 538 M HN 0.095 nan 8.290 nan 0.000 0.415 539 A N 0.545 123.317 122.820 -0.079 0.000 1.884 539 A HA -0.135 4.185 4.320 0.001 0.000 0.219 539 A C 2.425 179.967 177.584 -0.070 0.000 1.197 539 A CA 2.734 54.754 52.037 -0.028 0.000 0.637 539 A CB -0.992 17.975 19.000 -0.056 0.000 0.827 539 A HN 0.498 nan 8.150 nan 0.000 0.450 540 A N -0.886 121.849 122.820 -0.142 0.000 1.898 540 A HA 0.177 4.497 4.320 0.001 0.000 0.214 540 A C 2.179 179.702 177.584 -0.100 0.000 1.183 540 A CA 1.172 53.115 52.037 -0.158 0.000 0.622 540 A CB -0.506 18.323 19.000 -0.287 0.000 0.824 540 A HN 0.442 nan 8.150 nan 0.000 0.444 541 L N -0.111 121.047 121.223 -0.108 0.000 2.056 541 L HA -0.158 4.183 4.340 0.001 0.000 0.207 541 L C 2.384 179.249 176.870 -0.008 0.000 1.078 541 L CA 0.828 55.625 54.840 -0.072 0.000 0.749 541 L CB -0.483 41.476 42.059 -0.167 0.000 0.901 541 L HN 0.311 nan 8.230 nan 0.000 0.433 542 I N -0.719 119.842 120.570 -0.015 0.000 2.233 542 I HA -0.209 3.962 4.170 0.001 0.000 0.243 542 I C 2.479 178.713 176.117 0.196 0.000 1.093 542 I CA 1.303 62.670 61.300 0.112 0.000 1.380 542 I CB -1.053 36.964 38.000 0.028 0.000 1.067 542 I HN 0.162 nan 8.210 nan 0.000 0.413 543 S N 0.703 116.462 115.700 0.098 0.000 2.720 543 S HA 0.027 4.497 4.470 0.001 0.000 0.222 543 S C 1.357 175.999 174.600 0.070 0.000 0.958 543 S CA 0.217 58.478 58.200 0.101 0.000 0.943 543 S CB -0.205 63.020 63.200 0.043 0.000 0.779 543 S HN 0.283 nan 8.310 nan 0.000 0.526 544 L N 0.545 121.808 121.223 0.066 0.000 2.858 544 L HA 0.409 4.750 4.340 0.001 0.000 0.251 544 L C 1.506 178.413 176.870 0.062 0.000 1.149 544 L CA 0.635 55.501 54.840 0.044 0.000 0.955 544 L CB -0.149 41.920 42.059 0.018 0.000 1.289 544 L HN 0.429 nan 8.230 nan 0.000 0.542 545 Q N -1.787 118.081 119.800 0.114 0.000 2.471 545 Q HA -0.001 4.339 4.340 0.001 0.000 0.241 545 Q C 0.714 176.692 176.000 -0.037 0.000 0.886 545 Q CA 0.383 56.226 55.803 0.067 0.000 0.953 545 Q CB 0.650 29.482 28.738 0.155 0.000 1.108 545 Q HN 0.418 nan 8.270 nan 0.000 0.575 546 Y N 0.122 120.458 120.300 0.060 0.000 2.467 546 Y HA 0.178 4.728 4.550 0.001 0.000 0.250 546 Y C 1.822 177.772 175.900 0.083 0.000 1.155 546 Y CA -0.013 58.133 58.100 0.077 0.000 1.249 546 Y CB 0.376 38.899 38.460 0.106 0.000 1.146 546 Y HN 0.141 nan 8.280 nan 0.000 0.524 547 R N -0.881 119.727 120.500 0.180 0.000 2.096 547 R HA -0.126 4.214 4.340 0.001 0.000 0.235 547 R C 2.143 178.496 176.300 0.089 0.000 1.127 547 R CA 1.641 57.822 56.100 0.136 0.000 0.968 547 R CB -0.779 29.579 30.300 0.096 0.000 0.861 547 R HN 0.105 nan 8.270 nan 0.000 0.440 548 S N -0.575 115.155 115.700 0.050 0.000 2.469 548 S HA -0.087 4.384 4.470 0.001 0.000 0.238 548 S C 1.270 175.876 174.600 0.011 0.000 0.998 548 S CA 1.590 59.798 58.200 0.014 0.000 0.957 548 S CB -0.150 63.037 63.200 -0.020 0.000 0.764 548 S HN 0.591 nan 8.310 nan 0.000 0.514 549 T N 1.527 116.102 114.554 0.034 0.000 3.053 549 T HA 0.282 4.633 4.350 0.001 0.000 0.236 549 T C 1.659 176.410 174.700 0.084 0.000 0.996 549 T CA 0.500 62.630 62.100 0.051 0.000 1.185 549 T CB -0.394 68.521 68.868 0.078 0.000 0.892 549 T HN 0.236 nan 8.240 nan 0.000 0.432 550 L N 1.549 122.856 121.223 0.140 0.000 2.151 550 L HA -0.197 4.143 4.340 0.001 0.000 0.215 550 L C 2.742 179.646 176.870 0.056 0.000 1.084 550 L CA 1.168 56.069 54.840 0.101 0.000 0.764 550 L CB -0.527 41.638 42.059 0.176 0.000 0.891 550 L HN 0.247 nan 8.230 nan 0.000 0.435 551 E N -0.032 120.205 120.200 0.062 0.000 2.007 551 E HA -0.170 4.180 4.350 0.001 0.000 0.194 551 E C 2.250 178.861 176.600 0.017 0.000 0.999 551 E CA 0.908 57.332 56.400 0.040 0.000 0.811 551 E CB -0.324 29.399 29.700 0.038 0.000 0.762 551 E HN 0.390 nan 8.360 nan 0.000 0.450 552 R N 0.395 120.903 120.500 0.013 0.000 2.140 552 R HA -0.161 4.180 4.340 0.001 0.000 0.250 552 R C 2.394 178.686 176.300 -0.013 0.000 1.150 552 R CA 1.421 57.521 56.100 -0.000 0.000 0.966 552 R CB -0.938 29.361 30.300 -0.001 0.000 0.869 552 R HN 0.332 nan 8.270 nan 0.000 0.445 553 M N 0.010 119.600 119.600 -0.017 0.000 2.091 553 M HA -0.159 4.322 4.480 0.001 0.000 0.259 553 M C 2.325 178.594 176.300 -0.051 0.000 1.076 553 M CA 1.399 56.670 55.300 -0.047 0.000 1.111 553 M CB -0.590 31.969 32.600 -0.068 0.000 1.291 553 M HN 0.058 nan 8.290 nan 0.000 0.417 554 L N 0.944 122.143 121.223 -0.041 0.000 2.079 554 L HA -0.246 4.094 4.340 0.001 0.000 0.210 554 L C 2.049 178.906 176.870 -0.021 0.000 1.081 554 L CA 1.976 56.797 54.840 -0.031 0.000 0.752 554 L CB -0.956 41.101 42.059 -0.004 0.000 0.896 554 L HN 0.359 nan 8.230 nan 0.000 0.433 555 D N -0.833 119.560 120.400 -0.012 0.000 2.133 555 D HA -0.181 4.459 4.640 0.001 0.000 0.195 555 D C 2.012 178.302 176.300 -0.016 0.000 0.997 555 D CA 1.879 55.874 54.000 -0.008 0.000 0.840 555 D CB 0.187 40.985 40.800 -0.003 0.000 0.947 555 D HN 0.317 nan 8.370 nan 0.000 0.452 556 V N 0.474 120.373 119.914 -0.024 0.000 2.379 556 V HA -0.168 3.953 4.120 0.001 0.000 0.245 556 V C 2.607 178.681 176.094 -0.033 0.000 1.044 556 V CA 1.796 64.079 62.300 -0.028 0.000 1.036 556 V CB -0.814 30.989 31.823 -0.034 0.000 0.664 556 V HN 0.201 nan 8.190 nan 0.000 0.453 557 T N 0.026 114.554 114.554 -0.042 0.000 2.848 557 T HA -0.234 4.117 4.350 0.001 0.000 0.269 557 T C 1.650 176.329 174.700 -0.036 0.000 1.081 557 T CA 1.759 63.831 62.100 -0.047 0.000 1.125 557 T CB -0.260 68.573 68.868 -0.058 0.000 0.848 557 T HN 0.367 nan 8.240 nan 0.000 0.503 558 M N -0.689 118.895 119.600 -0.027 0.000 2.514 558 M HA 0.259 4.739 4.480 0.001 0.000 0.258 558 M C 1.592 177.883 176.300 -0.014 0.000 1.159 558 M CA 0.212 55.500 55.300 -0.019 0.000 1.116 558 M CB 0.054 32.646 32.600 -0.014 0.000 1.333 558 M HN 0.114 nan 8.290 nan 0.000 0.487 559 L N 0.919 122.133 121.223 -0.015 0.000 2.633 559 L HA -0.113 4.227 4.340 0.001 0.000 0.235 559 L C 2.127 178.989 176.870 -0.013 0.000 1.163 559 L CA 1.523 56.356 54.840 -0.011 0.000 0.859 559 L CB -0.392 41.659 42.059 -0.012 0.000 0.973 559 L HN 0.353 nan 8.230 nan 0.000 0.451 560 Q N -1.703 118.086 119.800 -0.017 0.000 2.423 560 Q HA -0.014 4.326 4.340 0.001 0.000 0.231 560 Q C 1.174 177.165 176.000 -0.016 0.000 0.894 560 Q CA -0.016 55.776 55.803 -0.018 0.000 0.938 560 Q CB 0.281 29.004 28.738 -0.024 0.000 1.079 560 Q HN 0.266 nan 8.270 nan 0.000 0.552 561 E N 1.250 121.441 120.200 -0.016 0.000 2.520 561 E HA -0.124 4.226 4.350 0.001 0.000 0.201 561 E C 0.118 176.714 176.600 -0.007 0.000 1.122 561 E CA 0.495 56.887 56.400 -0.014 0.000 0.896 561 E CB 0.212 29.903 29.700 -0.015 0.000 0.891 561 E HN 0.453 nan 8.360 nan 0.000 0.533 562 E N 0.672 120.868 120.200 -0.006 0.000 2.368 562 E HA -0.043 4.308 4.350 0.001 0.000 0.188 562 E C 1.414 178.013 176.600 -0.001 0.000 1.061 562 E CA -0.106 56.294 56.400 -0.001 0.000 0.933 562 E CB 0.204 29.904 29.700 0.000 0.000 1.091 562 E HN -0.138 nan 8.360 nan 0.000 0.458 563 K N 0.980 121.377 120.400 -0.004 0.000 2.362 563 K HA -0.140 4.181 4.320 0.001 0.000 0.202 563 K C -0.104 176.495 176.600 -0.003 0.000 1.045 563 K CA 1.018 57.301 56.287 -0.005 0.000 0.936 563 K CB 0.171 32.666 32.500 -0.008 0.000 0.747 563 K HN 0.016 nan 8.250 nan 0.000 0.467 564 E N 1.790 121.991 120.200 0.001 0.000 2.114 564 E HA 0.115 4.466 4.350 0.001 0.000 0.266 564 E C -0.462 176.143 176.600 0.008 0.000 0.896 564 E CA -0.267 56.135 56.400 0.003 0.000 0.750 564 E CB 1.139 30.842 29.700 0.006 0.000 1.121 564 E HN 0.310 nan 8.360 nan 0.000 0.413 565 E N 1.660 121.864 120.200 0.007 0.000 2.683 565 E HA -0.033 4.317 4.350 0.001 0.000 0.266 565 E C 0.004 176.615 176.600 0.019 0.000 1.434 565 E CA -0.126 56.281 56.400 0.011 0.000 1.137 565 E CB 0.352 30.057 29.700 0.008 0.000 0.992 565 E HN 0.303 nan 8.360 nan 0.000 0.607 566 Q N 0.542 120.357 119.800 0.025 0.000 2.269 566 Q HA -0.063 4.277 4.340 0.001 0.000 0.300 566 Q C 0.005 176.026 176.000 0.035 0.000 1.070 566 Q CA 0.410 56.236 55.803 0.038 0.000 0.957 566 Q CB 0.234 28.999 28.738 0.044 0.000 1.131 566 Q HN 0.280 nan 8.270 nan 0.000 0.377 567 M N 1.972 121.602 119.600 0.049 0.000 2.036 567 M HA 0.183 4.664 4.480 0.001 0.000 0.276 567 M C 0.527 176.842 176.300 0.026 0.000 1.262 567 M CA 0.515 55.840 55.300 0.042 0.000 1.097 567 M CB 0.382 33.032 32.600 0.083 0.000 1.386 567 M HN 0.499 nan 8.290 nan 0.000 0.482 568 R N -0.281 120.207 120.500 -0.021 0.000 2.843 568 R HA 0.845 5.185 4.340 0.001 0.000 0.232 568 R C -1.014 175.214 176.300 -0.120 0.000 1.305 568 R CA -0.898 55.161 56.100 -0.069 0.000 1.096 568 R CB 0.854 31.084 30.300 -0.117 0.000 1.455 568 R HN 0.494 nan 8.270 nan 0.000 0.520 569 L N 0.295 121.422 121.223 -0.160 0.000 2.309 569 L HA 0.560 4.900 4.340 0.001 0.000 0.261 569 L C -2.221 174.501 176.870 -0.246 0.000 1.021 569 L CA -2.372 52.339 54.840 -0.216 0.000 0.823 569 L CB 1.671 43.665 42.059 -0.109 0.000 1.366 569 L HN 0.325 nan 8.230 nan 0.000 0.423 570 P HA 0.043 nan 4.420 nan 0.000 0.270 570 P C -0.575 176.701 177.300 -0.040 0.000 1.223 570 P CA -0.255 62.742 63.100 -0.173 0.000 0.785 570 P CB 0.586 32.197 31.700 -0.148 0.000 0.923 571 S N 0.818 116.498 115.700 -0.035 0.000 2.549 571 S HA 0.214 4.684 4.470 0.001 0.000 0.286 571 S C 1.407 176.042 174.600 0.057 0.000 1.314 571 S CA -0.003 58.197 58.200 -0.000 0.000 1.062 571 S CB -0.100 63.092 63.200 -0.013 0.000 0.865 571 S HN 0.468 nan 8.310 nan 0.000 0.498 572 A N 3.879 126.725 122.820 0.043 0.000 2.172 572 A HA -0.020 4.300 4.320 0.001 0.000 0.216 572 A C 1.620 179.220 177.584 0.026 0.000 1.154 572 A CA 1.214 53.277 52.037 0.042 0.000 0.701 572 A CB -0.302 18.709 19.000 0.019 0.000 0.789 572 A HN 0.902 nan 8.150 nan 0.000 0.465 573 D N -0.719 119.697 120.400 0.026 0.000 2.348 573 D HA 0.005 4.645 4.640 0.001 0.000 0.211 573 D C 1.672 177.994 176.300 0.037 0.000 0.998 573 D CA 1.480 55.491 54.000 0.018 0.000 0.873 573 D CB 0.536 41.341 40.800 0.009 0.000 0.925 573 D HN 0.492 nan 8.370 nan 0.000 0.524 574 V N -2.805 117.152 119.914 0.070 0.000 3.604 574 V HA 0.260 4.380 4.120 0.001 0.000 0.277 574 V C -0.248 175.971 176.094 0.209 0.000 1.399 574 V CA -0.303 62.058 62.300 0.102 0.000 1.034 574 V CB 0.056 31.924 31.823 0.074 0.000 0.824 574 V HN -0.053 nan 8.190 nan 0.000 0.439 575 Y N 1.203 121.521 120.300 0.031 0.000 2.317 575 Y HA 0.578 5.128 4.550 0.001 0.000 0.325 575 Y C 1.078 176.998 175.900 0.033 0.000 1.066 575 Y CA -1.401 56.746 58.100 0.078 0.000 1.203 575 Y CB 1.611 40.138 38.460 0.113 0.000 1.127 575 Y HN -0.044 nan 8.280 nan 0.000 0.451 576 R N 2.859 123.173 120.500 -0.310 0.000 2.200 576 R HA -0.119 4.221 4.340 0.001 0.000 0.234 576 R C 0.468 176.392 176.300 -0.626 0.000 1.127 576 R CA 1.574 57.391 56.100 -0.471 0.000 0.989 576 R CB -0.098 29.839 30.300 -0.605 0.000 0.869 576 R HN 0.541 nan 8.270 nan 0.000 0.459 577 F N -0.372 119.245 119.950 -0.555 0.000 2.769 577 F HA 0.179 4.706 4.527 0.001 0.000 0.304 577 F C 1.728 177.500 175.800 -0.048 0.000 1.158 577 F CA 0.029 57.828 58.000 -0.336 0.000 1.398 577 F CB 0.269 39.003 39.000 -0.444 0.000 1.094 577 F HN 0.008 nan 8.300 nan 0.000 0.553 578 A N -1.431 121.452 122.820 0.105 0.000 2.303 578 A HA 0.124 4.445 4.320 0.001 0.000 0.217 578 A C 0.958 178.607 177.584 0.109 0.000 1.205 578 A CA -0.096 52.061 52.037 0.200 0.000 0.875 578 A CB -0.102 19.044 19.000 0.243 0.000 0.910 578 A HN -0.013 nan 8.150 nan 0.000 0.501 579 E N 2.195 122.421 120.200 0.043 0.000 2.465 579 E HA 0.120 4.470 4.350 0.001 0.000 0.260 579 E C -2.230 174.412 176.600 0.070 0.000 0.980 579 E CA -1.311 55.107 56.400 0.031 0.000 0.927 579 E CB 0.396 30.087 29.700 -0.015 0.000 0.934 579 E HN 0.360 nan 8.360 nan 0.000 0.459 580 P HA 0.055 nan 4.420 nan 0.000 0.272 580 P C -0.365 176.988 177.300 0.090 0.000 1.230 580 P CA -0.302 62.853 63.100 0.092 0.000 0.788 580 P CB 0.717 32.461 31.700 0.073 0.000 0.949 581 D N 0.148 120.620 120.400 0.121 0.000 2.382 581 D HA 0.283 4.924 4.640 0.001 0.000 0.245 581 D C 0.545 176.902 176.300 0.095 0.000 1.120 581 D CA 0.635 54.709 54.000 0.122 0.000 0.890 581 D CB 0.499 41.420 40.800 0.202 0.000 1.201 581 D HN 0.438 nan 8.370 nan 0.000 0.433 582 S N 0.310 116.053 115.700 0.072 0.000 2.625 582 S HA 0.226 4.696 4.470 0.001 0.000 0.271 582 S C 0.497 175.130 174.600 0.056 0.000 1.161 582 S CA -0.822 57.413 58.200 0.058 0.000 0.820 582 S CB 1.814 65.035 63.200 0.035 0.000 1.137 582 S HN 0.232 nan 8.310 nan 0.000 0.470 583 E N 0.978 121.220 120.200 0.070 0.000 2.463 583 E HA -0.113 4.238 4.350 0.001 0.000 0.201 583 E C 1.491 178.135 176.600 0.073 0.000 1.045 583 E CA 1.192 57.658 56.400 0.109 0.000 0.872 583 E CB -0.032 29.804 29.700 0.227 0.000 0.797 583 E HN 0.874 nan 8.360 nan 0.000 0.538 584 E N -0.001 120.225 120.200 0.042 0.000 2.400 584 E HA -0.041 4.309 4.350 0.001 0.000 0.195 584 E C 1.222 177.821 176.600 -0.002 0.000 1.012 584 E CA 0.514 56.927 56.400 0.023 0.000 0.875 584 E CB -0.141 29.570 29.700 0.018 0.000 0.859 584 E HN 0.286 nan 8.360 nan 0.000 0.498 585 N N 0.464 119.157 118.700 -0.011 0.000 2.145 585 N HA 0.205 4.946 4.740 0.001 0.000 0.219 585 N C 0.085 175.554 175.510 -0.068 0.000 1.266 585 N CA -0.288 52.743 53.050 -0.032 0.000 0.902 585 N CB 1.154 39.628 38.487 -0.021 0.000 1.078 585 N HN 0.076 nan 8.380 nan 0.000 0.513 586 I N 0.908 121.424 120.570 -0.092 0.000 2.753 586 I HA 0.424 4.595 4.170 0.001 0.000 0.291 586 I C -2.001 173.964 176.117 -0.254 0.000 1.425 586 I CA -0.746 60.426 61.300 -0.213 0.000 1.039 586 I CB 2.466 40.297 38.000 -0.281 0.000 1.349 586 I HN -0.071 nan 8.210 nan 0.000 0.430 587 I N 6.742 127.105 120.570 -0.345 0.000 2.533 587 I HA 0.417 4.588 4.170 0.001 0.000 0.290 587 I C -1.156 174.744 176.117 -0.361 0.000 1.056 587 I CA -0.452 60.705 61.300 -0.238 0.000 1.057 587 I CB 1.877 39.820 38.000 -0.096 0.000 1.240 587 I HN 0.310 nan 8.210 nan 0.000 0.423 588 F N 2.793 122.755 119.950 0.021 0.000 2.440 588 F HA 0.430 4.957 4.527 0.001 0.000 0.328 588 F C 0.657 176.470 175.800 0.022 0.000 1.070 588 F CA -0.681 57.331 58.000 0.019 0.000 1.011 588 F CB 0.967 39.973 39.000 0.009 0.000 1.226 588 F HN 0.357 nan 8.300 nan 0.000 0.491 589 E N 1.035 121.375 120.200 0.233 0.000 2.331 589 E HA 0.221 4.572 4.350 0.001 0.000 0.272 589 E C -0.736 175.932 176.600 0.114 0.000 1.036 589 E CA -0.200 56.281 56.400 0.134 0.000 0.864 589 E CB 0.607 30.375 29.700 0.113 0.000 1.035 589 E HN 0.401 nan 8.360 nan 0.000 0.408 598 I N -0.790 119.654 120.570 -0.211 0.000 2.938 598 I HA 0.557 4.728 4.170 0.001 0.000 0.285 598 I C -1.998 173.908 176.117 -0.352 0.000 1.182 598 I CA -1.679 59.353 61.300 -0.445 0.000 1.388 598 I CB 0.245 37.885 38.000 -0.600 0.000 1.390 598 I HN 0.009 nan 8.210 nan 0.000 0.600 599 P HA 0.338 nan 4.420 nan 0.000 0.269 599 P C -0.857 176.455 177.300 0.019 0.000 1.209 599 P CA 0.092 63.074 63.100 -0.197 0.000 0.776 599 P CB 0.555 32.097 31.700 -0.263 0.000 0.876 600 I N 3.055 123.725 120.570 0.166 0.000 2.418 600 I HA 0.248 4.418 4.170 0.001 0.000 0.287 600 I C -0.240 176.043 176.117 0.276 0.000 1.008 600 I CA -0.982 60.442 61.300 0.205 0.000 1.104 600 I CB 1.337 39.422 38.000 0.142 0.000 1.264 600 I HN 0.139 nan 8.210 nan 0.000 0.438 601 I N 6.777 127.477 120.570 0.217 0.000 2.471 601 I HA 0.064 4.234 4.170 0.001 0.000 0.286 601 I C 1.285 177.454 176.117 0.086 0.000 1.079 601 I CA 0.457 61.779 61.300 0.037 0.000 1.398 601 I CB 0.759 38.702 38.000 -0.095 0.000 1.403 601 I HN 0.593 nan 8.210 nan 0.000 0.530 602 K N 5.235 125.642 120.400 0.012 0.000 2.099 602 K HA 0.452 4.772 4.320 0.001 0.000 0.203 602 K C 0.374 176.994 176.600 0.034 0.000 1.047 602 K CA 0.760 57.079 56.287 0.053 0.000 0.963 602 K CB 0.371 32.885 32.500 0.023 0.000 0.759 602 K HN 0.748 nan 8.250 nan 0.000 0.451 603 A N -0.529 122.252 122.820 -0.064 0.000 2.609 603 A HA 0.690 5.011 4.320 0.001 0.000 0.291 603 A C -0.894 176.600 177.584 -0.150 0.000 1.096 603 A CA -0.362 51.627 52.037 -0.080 0.000 0.684 603 A CB 1.678 20.638 19.000 -0.066 0.000 1.282 603 A HN 0.356 nan 8.150 nan 0.000 0.412 604 G N -0.750 107.967 108.800 -0.138 0.000 2.368 604 G HA2 0.645 4.605 3.960 0.001 0.000 0.293 604 G HA3 0.645 4.605 3.960 0.001 0.000 0.293 604 G C -0.417 174.417 174.900 -0.110 0.000 1.467 604 G CA 0.337 45.356 45.100 -0.135 0.000 0.804 604 G HN 1.682 nan 8.290 nan 0.000 0.535 605 T N -1.450 113.061 114.554 -0.072 0.000 2.828 605 T HA 0.410 4.760 4.350 0.001 0.000 0.290 605 T C 1.677 176.374 174.700 -0.005 0.000 1.019 605 T CA 0.182 62.257 62.100 -0.042 0.000 1.031 605 T CB 1.425 70.276 68.868 -0.027 0.000 1.001 605 T HN 0.807 nan 8.240 nan 0.000 0.531 606 V N 1.396 121.338 119.914 0.046 0.000 2.332 606 V HA -0.155 3.965 4.120 0.001 0.000 0.248 606 V C 2.627 178.821 176.094 0.167 0.000 1.055 606 V CA 1.355 63.752 62.300 0.163 0.000 1.038 606 V CB -0.966 30.996 31.823 0.231 0.000 0.651 606 V HN 0.775 nan 8.190 nan 0.000 0.450 607 I N -0.084 120.537 120.570 0.085 0.000 2.163 607 I HA -0.214 3.957 4.170 0.001 0.000 0.243 607 I C 2.477 178.675 176.117 0.136 0.000 1.085 607 I CA 1.768 63.107 61.300 0.064 0.000 1.347 607 I CB -1.006 36.913 38.000 -0.135 0.000 1.044 607 I HN 0.292 nan 8.210 nan 0.000 0.408 608 K N 0.427 120.864 120.400 0.061 0.000 2.148 608 K HA -0.090 4.231 4.320 0.001 0.000 0.204 608 K C 1.883 178.506 176.600 0.038 0.000 1.050 608 K CA 0.750 57.066 56.287 0.049 0.000 0.942 608 K CB -0.510 31.980 32.500 -0.017 0.000 0.724 608 K HN 0.048 nan 8.250 nan 0.000 0.446 609 L N 0.567 121.831 121.223 0.067 0.000 2.046 609 L HA -0.083 4.257 4.340 0.001 0.000 0.208 609 L C 1.942 178.846 176.870 0.055 0.000 1.077 609 L CA 1.571 56.488 54.840 0.130 0.000 0.747 609 L CB -0.485 41.730 42.059 0.260 0.000 0.896 609 L HN 0.172 nan 8.230 nan 0.000 0.432 610 I N -1.170 119.432 120.570 0.054 0.000 2.439 610 I HA -0.246 3.924 4.170 0.001 0.000 0.251 610 I C 2.459 178.474 176.117 -0.170 0.000 1.139 610 I CA 0.879 62.106 61.300 -0.122 0.000 1.438 610 I CB -0.208 37.804 38.000 0.020 0.000 1.085 610 I HN 0.395 nan 8.210 nan 0.000 0.427 611 E N 1.155 121.363 120.200 0.013 0.000 2.051 611 E HA -0.223 4.127 4.350 0.001 0.000 0.192 611 E C 2.338 178.900 176.600 -0.064 0.000 0.991 611 E CA 1.031 57.451 56.400 0.033 0.000 0.799 611 E CB 0.158 30.001 29.700 0.239 0.000 0.748 611 E HN 0.269 nan 8.360 nan 0.000 0.449 612 R N 0.379 120.761 120.500 -0.197 0.000 2.115 612 R HA -0.104 4.237 4.340 0.001 0.000 0.230 612 R C 2.466 178.294 176.300 -0.787 0.000 1.111 612 R CA 0.469 56.297 56.100 -0.454 0.000 0.976 612 R CB -0.798 29.233 30.300 -0.448 0.000 0.870 612 R HN 0.273 nan 8.270 nan 0.000 0.445 613 L N 1.419 122.149 121.223 -0.822 0.000 2.187 613 L HA -0.110 4.230 4.340 0.001 0.000 0.213 613 L C 1.099 177.683 176.870 -0.477 0.000 1.100 613 L CA 1.975 56.327 54.840 -0.814 0.000 0.765 613 L CB -0.284 41.430 42.059 -0.575 0.000 0.904 613 L HN 0.212 nan 8.230 nan 0.000 0.437 614 T N -4.045 110.288 114.554 -0.368 0.000 3.487 614 T HA 0.178 4.529 4.350 0.001 0.000 0.287 614 T C -0.055 174.509 174.700 -0.227 0.000 1.004 614 T CA -0.553 61.383 62.100 -0.274 0.000 0.977 614 T CB -0.822 67.885 68.868 -0.267 0.000 1.180 614 T HN 0.071 nan 8.240 nan 0.000 0.490 615 Y N 4.024 124.075 120.300 -0.415 0.000 2.578 615 Y HA 0.131 4.681 4.550 0.001 0.000 0.339 615 Y C 1.931 177.590 175.900 -0.402 0.000 1.231 615 Y CA -0.383 57.467 58.100 -0.416 0.000 1.461 615 Y CB 0.724 38.790 38.460 -0.656 0.000 1.323 615 Y HN 0.471 nan 8.280 nan 0.000 0.590 616 H N 2.468 120.997 119.070 -0.902 0.000 2.525 616 H HA -0.002 4.554 4.556 0.001 0.000 0.275 616 H C 1.206 176.212 175.328 -0.537 0.000 0.984 616 H CA 0.874 56.494 56.048 -0.713 0.000 1.264 616 H CB 0.121 29.381 29.762 -0.836 0.000 1.432 616 H HN 0.580 nan 8.280 nan 0.000 0.549 617 M N 1.001 119.905 119.600 -1.160 0.000 2.160 617 M HA 0.063 4.543 4.480 0.001 0.000 0.264 617 M C 0.498 176.685 176.300 -0.188 0.000 1.073 617 M CA 0.875 55.811 55.300 -0.607 0.000 1.142 617 M CB -0.488 31.872 32.600 -0.400 0.000 1.358 617 M HN 0.318 nan 8.290 nan 0.000 0.422 618 Y N -2.162 118.125 120.300 -0.021 0.000 2.698 618 Y HA 0.822 5.372 4.550 0.001 0.000 0.332 618 Y C -0.731 175.166 175.900 -0.005 0.000 1.119 618 Y CA -2.415 55.683 58.100 -0.004 0.000 1.109 618 Y CB 0.429 38.901 38.460 0.020 0.000 1.308 618 Y HN -0.015 nan 8.280 nan 0.000 0.499 619 A N 0.521 123.506 122.820 0.275 0.000 2.330 619 A HA 0.682 5.002 4.320 0.001 0.000 0.329 619 A C -1.373 176.355 177.584 0.241 0.000 1.135 619 A CA -0.271 51.866 52.037 0.167 0.000 0.817 619 A CB 0.984 20.043 19.000 0.099 0.000 1.269 619 A HN 0.789 nan 8.150 nan 0.000 0.469 620 D N 0.900 121.404 120.400 0.172 0.000 3.117 620 D HA 0.259 4.900 4.640 0.001 0.000 0.241 620 D C -2.438 173.967 176.300 0.175 0.000 1.385 620 D CA -0.585 53.533 54.000 0.197 0.000 0.855 620 D CB 0.750 41.721 40.800 0.284 0.000 1.498 620 D HN 0.088 nan 8.370 nan 0.000 0.584 621 P HA -0.050 nan 4.420 nan 0.000 0.223 621 P C 1.139 178.504 177.300 0.108 0.000 1.144 621 P CA 0.690 63.842 63.100 0.087 0.000 0.783 621 P CB 0.334 32.070 31.700 0.061 0.000 0.771 622 N N -1.452 117.337 118.700 0.148 0.000 2.244 622 N HA -0.127 4.613 4.740 0.001 0.000 0.183 622 N C 1.324 176.964 175.510 0.216 0.000 1.016 622 N CA 0.778 53.919 53.050 0.151 0.000 0.866 622 N CB -0.717 37.855 38.487 0.142 0.000 0.980 622 N HN 0.035 nan 8.380 nan 0.000 0.430 623 F N 0.072 120.101 119.950 0.131 0.000 2.146 623 F HA -0.130 4.398 4.527 0.001 0.000 0.298 623 F C 1.999 177.902 175.800 0.172 0.000 1.096 623 F CA 0.839 58.943 58.000 0.174 0.000 1.275 623 F CB -0.078 38.980 39.000 0.098 0.000 1.008 623 F HN -0.134 nan 8.300 nan 0.000 0.480 624 V N 0.825 120.963 119.914 0.373 0.000 2.287 624 V HA -0.337 3.784 4.120 0.001 0.000 0.248 624 V C 2.477 178.680 176.094 0.182 0.000 1.053 624 V CA 2.360 64.792 62.300 0.221 0.000 1.027 624 V CB -0.849 30.989 31.823 0.025 0.000 0.646 624 V HN 0.310 nan 8.190 nan 0.000 0.447 625 R N -0.141 120.421 120.500 0.104 0.000 2.070 625 R HA -0.172 4.168 4.340 0.001 0.000 0.233 625 R C 2.449 178.871 176.300 0.205 0.000 1.137 625 R CA 2.194 58.402 56.100 0.180 0.000 0.945 625 R CB -0.625 29.760 30.300 0.141 0.000 0.845 625 R HN 0.543 nan 8.270 nan 0.000 0.430 626 T N 0.840 115.495 114.554 0.168 0.000 2.635 626 T HA -0.220 4.130 4.350 0.001 0.000 0.267 626 T C 1.389 176.198 174.700 0.181 0.000 1.040 626 T CA 1.824 63.999 62.100 0.125 0.000 1.156 626 T CB -0.458 68.483 68.868 0.122 0.000 0.863 626 T HN 0.267 nan 8.240 nan 0.000 0.430 627 F N 1.434 121.464 119.950 0.132 0.000 2.075 627 F HA 0.013 4.540 4.527 0.001 0.000 0.297 627 F C 2.048 177.917 175.800 0.115 0.000 1.113 627 F CA 1.157 59.265 58.000 0.180 0.000 1.218 627 F CB -0.460 38.657 39.000 0.194 0.000 0.984 627 F HN 0.031 nan 8.300 nan 0.000 0.472 628 L N -0.629 120.764 121.223 0.282 0.000 2.191 628 L HA -0.221 4.120 4.340 0.001 0.000 0.212 628 L C 2.114 178.857 176.870 -0.212 0.000 1.103 628 L CA 1.611 56.441 54.840 -0.016 0.000 0.769 628 L CB -0.928 41.073 42.059 -0.095 0.000 0.908 628 L HN 0.211 nan 8.230 nan 0.000 0.438 629 T N -2.021 112.507 114.554 -0.044 0.000 2.978 629 T HA -0.071 4.279 4.350 0.001 0.000 0.262 629 T C 1.729 176.367 174.700 -0.102 0.000 1.063 629 T CA 1.606 63.705 62.100 -0.000 0.000 1.140 629 T CB 0.017 68.949 68.868 0.108 0.000 0.886 629 T HN 0.504 nan 8.240 nan 0.000 0.470 630 T N -0.590 113.877 114.554 -0.144 0.000 3.003 630 T HA 0.104 4.454 4.350 0.001 0.000 0.261 630 T C 1.747 176.175 174.700 -0.455 0.000 1.003 630 T CA -0.313 61.657 62.100 -0.215 0.000 0.917 630 T CB -0.597 68.218 68.868 -0.088 0.000 1.084 630 T HN 0.502 nan 8.240 nan 0.000 0.522 631 Y N 2.663 122.511 120.300 -0.754 0.000 2.315 631 Y HA 0.083 4.633 4.550 0.001 0.000 0.288 631 Y C 2.139 177.350 175.900 -1.149 0.000 1.154 631 Y CA 0.587 57.837 58.100 -1.416 0.000 1.229 631 Y CB -0.608 36.955 38.460 -1.495 0.000 0.980 631 Y HN 0.051 nan 8.280 nan 0.000 0.540 632 R N 0.885 120.526 120.500 -1.431 0.000 2.249 632 R HA -0.133 4.208 4.340 0.001 0.000 0.230 632 R C 2.350 178.341 176.300 -0.515 0.000 1.121 632 R CA 1.362 56.890 56.100 -0.953 0.000 0.997 632 R CB -0.518 29.317 30.300 -0.775 0.000 0.867 632 R HN 0.654 nan 8.270 nan 0.000 0.465 633 S N 0.408 115.838 115.700 -0.451 0.000 2.470 633 S HA -0.071 4.400 4.470 0.001 0.000 0.225 633 S C 1.398 175.955 174.600 -0.071 0.000 1.006 633 S CA 0.360 58.444 58.200 -0.194 0.000 0.934 633 S CB -0.138 63.014 63.200 -0.081 0.000 0.778 633 S HN 0.525 nan 8.310 nan 0.000 0.517 634 F N -0.474 119.425 119.950 -0.085 0.000 2.746 634 F HA 0.688 5.215 4.527 0.001 0.000 0.320 634 F C 0.110 175.921 175.800 0.019 0.000 1.097 634 F CA -1.643 56.339 58.000 -0.029 0.000 1.195 634 F CB -0.236 38.753 39.000 -0.019 0.000 1.056 634 F HN 0.321 nan 8.300 nan 0.000 0.562 635 C N 1.891 121.078 119.300 -0.189 0.000 3.046 635 C HA 0.438 4.898 4.460 0.001 0.000 0.388 635 C C -0.710 174.309 174.990 0.048 0.000 1.041 635 C CA -0.998 58.033 59.018 0.020 0.000 1.241 635 C CB 0.960 28.768 27.740 0.114 0.000 1.638 635 C HN 0.419 nan 8.230 nan 0.000 0.539 636 K N 4.878 125.332 120.400 0.090 0.000 2.237 636 K HA 0.263 4.583 4.320 0.001 0.000 0.270 636 K C -1.709 175.031 176.600 0.234 0.000 1.015 636 K CA -0.986 55.366 56.287 0.109 0.000 0.949 636 K CB 1.050 33.596 32.500 0.075 0.000 0.976 636 K HN 0.429 nan 8.250 nan 0.000 0.472 637 P HA -0.232 nan 4.420 nan 0.000 0.214 637 P C 1.026 178.497 177.300 0.284 0.000 1.163 637 P CA 1.300 64.641 63.100 0.401 0.000 0.889 637 P CB 0.242 32.112 31.700 0.283 0.000 0.790 638 Q N -0.519 119.374 119.800 0.155 0.000 2.112 638 Q HA -0.242 4.099 4.340 0.001 0.000 0.206 638 Q C 2.179 178.247 176.000 0.113 0.000 0.987 638 Q CA 1.641 57.505 55.803 0.102 0.000 0.858 638 Q CB -0.815 27.975 28.738 0.085 0.000 0.905 638 Q HN 0.297 nan 8.270 nan 0.000 0.420 639 E N 0.866 121.139 120.200 0.122 0.000 2.106 639 E HA -0.080 4.270 4.350 0.001 0.000 0.192 639 E C 1.883 178.554 176.600 0.117 0.000 0.984 639 E CA 0.463 56.930 56.400 0.110 0.000 0.806 639 E CB -0.387 29.379 29.700 0.109 0.000 0.750 639 E HN 0.270 nan 8.360 nan 0.000 0.458 640 L N -0.004 121.294 121.223 0.126 0.000 2.046 640 L HA -0.143 4.198 4.340 0.001 0.000 0.208 640 L C 2.203 179.146 176.870 0.122 0.000 1.077 640 L CA 1.235 56.105 54.840 0.050 0.000 0.747 640 L CB -0.305 41.607 42.059 -0.244 0.000 0.896 640 L HN 0.313 nan 8.230 nan 0.000 0.432 641 L N -0.588 120.788 121.223 0.255 0.000 2.046 641 L HA -0.171 4.169 4.340 0.001 0.000 0.208 641 L C 2.547 179.427 176.870 0.017 0.000 1.077 641 L CA 1.838 56.799 54.840 0.201 0.000 0.747 641 L CB -0.579 41.553 42.059 0.123 0.000 0.896 641 L HN 0.122 nan 8.230 nan 0.000 0.432 642 S N -0.469 115.251 115.700 0.033 0.000 2.368 642 S HA -0.145 4.325 4.470 0.001 0.000 0.225 642 S C 1.927 176.551 174.600 0.040 0.000 1.030 642 S CA 1.670 59.878 58.200 0.014 0.000 0.999 642 S CB -0.425 62.803 63.200 0.047 0.000 0.844 642 S HN 0.456 nan 8.310 nan 0.000 0.459 643 L N 1.435 122.710 121.223 0.087 0.000 2.093 643 L HA -0.079 4.261 4.340 0.001 0.000 0.208 643 L C 2.341 179.256 176.870 0.076 0.000 1.085 643 L CA 1.127 56.068 54.840 0.169 0.000 0.755 643 L CB -0.707 41.477 42.059 0.209 0.000 0.904 643 L HN 0.432 nan 8.230 nan 0.000 0.435 644 I N -2.798 117.755 120.570 -0.030 0.000 2.439 644 I HA -0.193 3.977 4.170 0.001 0.000 0.251 644 I C 2.330 178.368 176.117 -0.132 0.000 1.139 644 I CA 1.288 62.523 61.300 -0.108 0.000 1.438 644 I CB -0.373 37.586 38.000 -0.068 0.000 1.085 644 I HN 0.075 nan 8.210 nan 0.000 0.427 645 I N 1.598 122.007 120.570 -0.267 0.000 2.252 645 I HA -0.236 3.935 4.170 0.001 0.000 0.245 645 I C 2.774 178.891 176.117 -0.001 0.000 1.102 645 I CA 1.627 62.666 61.300 -0.436 0.000 1.385 645 I CB -0.408 37.237 38.000 -0.591 0.000 1.064 645 I HN 0.359 nan 8.210 nan 0.000 0.414 646 E N 1.150 121.395 120.200 0.075 0.000 2.110 646 E HA -0.298 4.052 4.350 0.001 0.000 0.193 646 E C 2.279 179.073 176.600 0.323 0.000 0.988 646 E CA 1.176 57.717 56.400 0.234 0.000 0.804 646 E CB 0.066 29.933 29.700 0.278 0.000 0.745 646 E HN 0.255 nan 8.360 nan 0.000 0.458 647 R N -0.148 120.392 120.500 0.067 0.000 2.081 647 R HA -0.155 4.186 4.340 0.001 0.000 0.235 647 R C 2.087 178.473 176.300 0.144 0.000 1.131 647 R CA 1.556 57.502 56.100 -0.255 0.000 0.960 647 R CB -0.735 29.135 30.300 -0.716 0.000 0.856 647 R HN 0.236 nan 8.270 nan 0.000 0.436 648 F N 1.701 121.668 119.950 0.029 0.000 2.216 648 F HA -0.023 4.505 4.527 0.001 0.000 0.300 648 F C 0.465 176.352 175.800 0.144 0.000 1.085 648 F CA 0.989 59.051 58.000 0.103 0.000 1.326 648 F CB 0.166 39.303 39.000 0.228 0.000 1.027 648 F HN 0.005 nan 8.300 nan 0.000 0.497 649 E N 2.409 122.811 120.200 0.337 0.000 1.852 649 E HA 0.130 4.480 4.350 0.001 0.000 0.276 649 E C -0.271 176.398 176.600 0.116 0.000 1.163 649 E CA 0.122 56.664 56.400 0.237 0.000 1.117 649 E CB -0.502 29.370 29.700 0.286 0.000 1.124 649 E HN 0.400 nan 8.360 nan 0.000 0.458 650 I N 4.258 124.774 120.570 -0.090 0.000 2.325 650 I HA 0.139 4.309 4.170 0.001 0.000 0.291 650 I C -1.674 174.353 176.117 -0.150 0.000 1.019 650 I CA -1.970 59.153 61.300 -0.295 0.000 1.302 650 I CB 0.714 38.531 38.000 -0.306 0.000 1.401 650 I HN 0.005 nan 8.210 nan 0.000 0.485 651 P HA 0.162 nan 4.420 nan 0.000 0.276 651 P C -0.693 176.565 177.300 -0.070 0.000 1.235 651 P CA -0.278 62.779 63.100 -0.072 0.000 0.772 651 P CB 0.780 32.445 31.700 -0.058 0.000 0.871 652 E N 3.941 124.118 120.200 -0.039 0.000 2.366 652 E HA 0.229 4.579 4.350 0.001 0.000 0.266 652 E C -1.650 174.857 176.600 -0.155 0.000 1.051 652 E CA -1.576 54.798 56.400 -0.043 0.000 0.884 652 E CB 0.086 29.787 29.700 0.002 0.000 1.006 652 E HN 0.483 nan 8.360 nan 0.000 0.417 653 P HA 0.025 nan 4.420 nan 0.000 0.272 653 P C -0.777 176.424 177.300 -0.165 0.000 1.230 653 P CA -0.033 62.888 63.100 -0.298 0.000 0.788 653 P CB 0.705 32.132 31.700 -0.455 0.000 0.949 654 E N 1.634 121.750 120.200 -0.141 0.000 2.373 654 E HA 0.251 4.602 4.350 0.001 0.000 0.263 654 E C -1.993 174.557 176.600 -0.084 0.000 1.073 654 E CA -1.614 54.731 56.400 -0.092 0.000 0.894 654 E CB -0.678 28.975 29.700 -0.079 0.000 1.008 654 E HN 0.378 nan 8.360 nan 0.000 0.420 655 P HA -0.069 nan 4.420 nan 0.000 0.265 655 P C -0.256 177.014 177.300 -0.050 0.000 1.187 655 P CA 0.196 63.267 63.100 -0.048 0.000 0.766 655 P CB 0.366 32.045 31.700 -0.034 0.000 0.820 656 T N -1.058 113.467 114.554 -0.047 0.000 2.732 656 T HA 0.099 4.449 4.350 0.001 0.000 0.287 656 T C 1.249 175.929 174.700 -0.033 0.000 0.993 656 T CA -0.287 61.786 62.100 -0.044 0.000 0.966 656 T CB 0.585 69.428 68.868 -0.041 0.000 1.047 656 T HN 0.289 nan 8.240 nan 0.000 0.527 657 E N 0.565 120.747 120.200 -0.030 0.000 2.085 657 E HA -0.070 4.281 4.350 0.001 0.000 0.194 657 E C 2.293 178.881 176.600 -0.020 0.000 0.994 657 E CA 1.765 58.151 56.400 -0.024 0.000 0.801 657 E CB -0.974 28.713 29.700 -0.022 0.000 0.743 657 E HN 0.769 nan 8.360 nan 0.000 0.453 658 A N 0.725 123.534 122.820 -0.020 0.000 1.933 658 A HA -0.196 4.124 4.320 0.001 0.000 0.218 658 A C 1.865 179.440 177.584 -0.016 0.000 1.175 658 A CA 1.839 53.866 52.037 -0.016 0.000 0.628 658 A CB -0.602 18.389 19.000 -0.015 0.000 0.814 658 A HN 0.265 nan 8.150 nan 0.000 0.444 659 D N -0.334 120.055 120.400 -0.018 0.000 2.097 659 D HA -0.124 4.517 4.640 0.001 0.000 0.197 659 D C 2.191 178.481 176.300 -0.016 0.000 0.984 659 D CA 1.200 55.190 54.000 -0.017 0.000 0.826 659 D CB -0.377 40.411 40.800 -0.021 0.000 0.973 659 D HN 0.445 nan 8.370 nan 0.000 0.460 660 R N 0.366 120.855 120.500 -0.018 0.000 2.091 660 R HA -0.063 4.277 4.340 0.001 0.000 0.238 660 R C 2.592 178.883 176.300 -0.013 0.000 1.136 660 R CA 0.741 56.831 56.100 -0.017 0.000 0.959 660 R CB -0.304 29.984 30.300 -0.019 0.000 0.856 660 R HN 0.250 nan 8.270 nan 0.000 0.437 661 I N 0.498 121.060 120.570 -0.013 0.000 2.226 661 I HA -0.269 3.901 4.170 0.001 0.000 0.245 661 I C 2.608 178.719 176.117 -0.009 0.000 1.100 661 I CA 1.227 62.521 61.300 -0.011 0.000 1.374 661 I CB -0.403 37.590 38.000 -0.011 0.000 1.057 661 I HN 0.218 nan 8.210 nan 0.000 0.413 662 A N 1.212 124.026 122.820 -0.010 0.000 1.855 662 A HA -0.156 4.165 4.320 0.001 0.000 0.215 662 A C 2.288 179.868 177.584 -0.007 0.000 1.191 662 A CA 1.385 53.417 52.037 -0.008 0.000 0.613 662 A CB -0.849 18.146 19.000 -0.008 0.000 0.829 662 A HN 0.340 nan 8.150 nan 0.000 0.442 663 I N -0.302 120.263 120.570 -0.008 0.000 2.194 663 I HA -0.297 3.874 4.170 0.001 0.000 0.246 663 I C 2.505 178.618 176.117 -0.007 0.000 1.093 663 I CA 1.928 63.224 61.300 -0.007 0.000 1.355 663 I CB -0.338 37.657 38.000 -0.009 0.000 1.046 663 I HN 0.539 nan 8.210 nan 0.000 0.413 664 E N 0.856 121.052 120.200 -0.008 0.000 2.338 664 E HA -0.178 4.173 4.350 0.001 0.000 0.197 664 E C 1.164 177.760 176.600 -0.006 0.000 1.007 664 E CA 0.719 57.114 56.400 -0.007 0.000 0.849 664 E CB 0.133 29.828 29.700 -0.008 0.000 0.774 664 E HN 0.473 nan 8.360 nan 0.000 0.506 665 N N -0.555 118.142 118.700 -0.006 0.000 2.230 665 N HA 0.068 4.809 4.740 0.001 0.000 0.202 665 N C 0.580 176.088 175.510 -0.004 0.000 1.119 665 N CA 0.782 53.829 53.050 -0.005 0.000 0.851 665 N CB 1.382 39.866 38.487 -0.005 0.000 0.990 665 N HN 0.272 nan 8.380 nan 0.000 0.497 666 G N 1.638 110.436 108.800 -0.004 0.000 2.143 666 G HA2 -0.232 3.728 3.960 0.001 0.000 0.249 666 G HA3 -0.232 3.728 3.960 0.001 0.000 0.249 666 G C -0.296 174.603 174.900 -0.002 0.000 0.981 666 G CA 0.497 45.596 45.100 -0.003 0.000 0.665 666 G HN 0.522 nan 8.290 nan 0.000 0.528 667 D N -0.778 119.620 120.400 -0.003 0.000 2.467 667 D HA 0.489 5.130 4.640 0.001 0.000 0.245 667 D C 0.006 176.304 176.300 -0.003 0.000 1.038 667 D CA -0.842 53.157 54.000 -0.002 0.000 1.038 667 D CB 0.850 41.648 40.800 -0.003 0.000 1.278 667 D HN 0.227 nan 8.370 nan 0.000 0.564 668 Q N 0.134 119.933 119.800 -0.002 0.000 2.313 668 Q HA 0.256 4.596 4.340 0.001 0.000 0.266 668 Q C -2.206 173.792 176.000 -0.003 0.000 0.989 668 Q CA -1.224 54.577 55.803 -0.002 0.000 0.890 668 Q CB 0.652 29.389 28.738 -0.000 0.000 1.200 668 Q HN 0.180 nan 8.270 nan 0.000 0.396 669 P HA 0.054 nan 4.420 nan 0.000 0.278 669 P C -0.059 177.239 177.300 -0.004 0.000 1.238 669 P CA -0.121 62.975 63.100 -0.006 0.000 0.794 669 P CB 0.763 32.458 31.700 -0.008 0.000 0.955 670 L N 0.698 121.918 121.223 -0.005 0.000 2.156 670 L HA -0.105 4.235 4.340 0.001 0.000 0.208 670 L C 0.652 177.521 176.870 -0.002 0.000 1.095 670 L CA 0.717 55.555 54.840 -0.004 0.000 0.770 670 L CB -0.604 41.452 42.059 -0.005 0.000 0.914 670 L HN 0.437 nan 8.230 nan 0.000 0.439 671 S N -0.252 115.445 115.700 -0.005 0.000 3.559 671 S HA -0.273 4.198 4.470 0.001 0.000 0.369 671 S C 1.423 176.024 174.600 0.002 0.000 0.987 671 S CA 0.389 58.587 58.200 -0.004 0.000 1.187 671 S CB -1.155 62.044 63.200 -0.001 0.000 0.914 671 S HN 0.586 nan 8.310 nan 0.000 0.480 672 A N 0.846 123.666 122.820 0.000 0.000 1.883 672 A HA -0.204 4.116 4.320 0.001 0.000 0.217 672 A C 1.962 179.554 177.584 0.013 0.000 1.186 672 A CA 1.861 53.901 52.037 0.005 0.000 0.624 672 A CB -0.376 18.624 19.000 0.000 0.000 0.822 672 A HN 0.725 nan 8.150 nan 0.000 0.444 673 E N -0.939 119.265 120.200 0.006 0.000 2.106 673 E HA -0.138 4.212 4.350 0.001 0.000 0.192 673 E C 1.971 178.594 176.600 0.039 0.000 0.984 673 E CA 1.026 57.434 56.400 0.012 0.000 0.806 673 E CB -0.238 29.449 29.700 -0.021 0.000 0.750 673 E HN 0.511 nan 8.360 nan 0.000 0.458 674 L N 1.827 123.063 121.223 0.020 0.000 2.012 674 L HA -0.203 4.138 4.340 0.001 0.000 0.210 674 L C 1.847 178.773 176.870 0.093 0.000 1.073 674 L CA 1.905 56.774 54.840 0.048 0.000 0.748 674 L CB -0.157 41.910 42.059 0.014 0.000 0.891 674 L HN -0.110 nan 8.230 nan 0.000 0.431 675 K N -0.851 119.582 120.400 0.054 0.000 2.147 675 K HA -0.132 4.188 4.320 0.001 0.000 0.205 675 K C 2.163 178.793 176.600 0.049 0.000 1.049 675 K CA 1.473 57.787 56.287 0.044 0.000 0.936 675 K CB -0.139 32.376 32.500 0.025 0.000 0.722 675 K HN 0.384 nan 8.250 nan 0.000 0.446 676 R N -0.244 120.294 120.500 0.064 0.000 2.073 676 R HA -0.083 4.258 4.340 0.001 0.000 0.229 676 R C 2.190 178.542 176.300 0.086 0.000 1.120 676 R CA 1.153 57.290 56.100 0.061 0.000 0.967 676 R CB -0.376 29.960 30.300 0.060 0.000 0.862 676 R HN 0.139 nan 8.270 nan 0.000 0.436 677 F N 2.019 121.951 119.950 -0.029 0.000 2.171 677 F HA -0.137 4.390 4.527 0.001 0.000 0.300 677 F C 2.183 177.973 175.800 -0.016 0.000 1.090 677 F CA 1.457 59.434 58.000 -0.039 0.000 1.293 677 F CB 0.031 38.978 39.000 -0.089 0.000 1.013 677 F HN -0.182 nan 8.300 nan 0.000 0.486 678 R N -0.018 120.474 120.500 -0.012 0.000 2.090 678 R HA -0.130 4.210 4.340 0.001 0.000 0.228 678 R C 2.329 178.552 176.300 -0.127 0.000 1.110 678 R CA 1.493 57.536 56.100 -0.095 0.000 0.973 678 R CB -0.324 29.970 30.300 -0.011 0.000 0.869 678 R HN 0.241 nan 8.270 nan 0.000 0.440 679 K N 1.009 121.365 120.400 -0.073 0.000 2.076 679 K HA -0.108 4.213 4.320 0.001 0.000 0.204 679 K C 1.123 177.671 176.600 -0.088 0.000 1.051 679 K CA 1.328 57.578 56.287 -0.063 0.000 0.949 679 K CB 0.301 32.786 32.500 -0.024 0.000 0.726 679 K HN 0.138 nan 8.250 nan 0.000 0.443 680 E N -1.618 118.529 120.200 -0.089 0.000 2.481 680 E HA -0.036 4.315 4.350 0.001 0.000 0.198 680 E C 0.469 177.001 176.600 -0.113 0.000 1.027 680 E CA 0.065 56.425 56.400 -0.068 0.000 0.900 680 E CB 0.469 30.173 29.700 0.006 0.000 0.993 680 E HN 0.308 nan 8.360 nan 0.000 0.482 681 Y N -0.376 119.648 120.300 -0.460 0.000 2.921 681 Y HA 0.201 4.752 4.550 0.001 0.000 0.246 681 Y C 1.670 177.198 175.900 -0.621 0.000 1.030 681 Y CA 0.045 57.738 58.100 -0.678 0.000 1.338 681 Y CB 0.158 37.912 38.460 -1.177 0.000 1.493 681 Y HN -0.157 nan 8.280 nan 0.000 0.452 682 I N 0.940 121.216 120.570 -0.490 0.000 2.142 682 I HA -0.340 3.831 4.170 0.001 0.000 0.240 682 I C 2.442 178.351 176.117 -0.345 0.000 1.078 682 I CA 2.127 63.199 61.300 -0.379 0.000 1.343 682 I CB -0.448 37.374 38.000 -0.297 0.000 1.046 682 I HN 0.396 nan 8.210 nan 0.000 0.405 683 Q N 1.215 120.852 119.800 -0.271 0.000 2.030 683 Q HA -0.176 4.164 4.340 0.001 0.000 0.204 683 Q C -0.629 175.223 176.000 -0.246 0.000 0.986 683 Q CA 2.142 57.817 55.803 -0.214 0.000 0.843 683 Q CB -0.770 27.888 28.738 -0.134 0.000 0.904 683 Q HN 0.311 nan 8.270 nan 0.000 0.420 684 P HA -0.111 nan 4.420 nan 0.000 0.218 684 P C 1.391 178.509 177.300 -0.303 0.000 1.149 684 P CA 1.070 64.015 63.100 -0.258 0.000 0.817 684 P CB -0.009 31.552 31.700 -0.233 0.000 0.785 685 V N 0.595 120.271 119.914 -0.397 0.000 2.358 685 V HA -0.209 3.912 4.120 0.001 0.000 0.246 685 V C 2.849 178.786 176.094 -0.261 0.000 1.047 685 V CA 1.774 63.841 62.300 -0.388 0.000 1.035 685 V CB -1.263 30.234 31.823 -0.543 0.000 0.658 685 V HN 0.125 nan 8.190 nan 0.000 0.452 686 Q N -0.573 119.055 119.800 -0.286 0.000 2.119 686 Q HA -0.111 4.229 4.340 0.001 0.000 0.201 686 Q C 2.333 178.323 176.000 -0.017 0.000 0.972 686 Q CA 1.324 57.010 55.803 -0.194 0.000 0.847 686 Q CB -0.166 28.279 28.738 -0.488 0.000 0.903 686 Q HN 0.530 nan 8.270 nan 0.000 0.433 687 L N 0.077 121.191 121.223 -0.181 0.000 2.046 687 L HA -0.188 4.152 4.340 0.001 0.000 0.208 687 L C 2.459 179.199 176.870 -0.218 0.000 1.077 687 L CA 1.183 55.845 54.840 -0.295 0.000 0.747 687 L CB -0.197 41.597 42.059 -0.441 0.000 0.896 687 L HN 0.137 nan 8.230 nan 0.000 0.432 688 R N -1.028 119.365 120.500 -0.179 0.000 2.115 688 R HA -0.106 4.235 4.340 0.001 0.000 0.230 688 R C 2.195 178.448 176.300 -0.078 0.000 1.111 688 R CA 0.809 56.824 56.100 -0.142 0.000 0.976 688 R CB -0.211 29.983 30.300 -0.176 0.000 0.870 688 R HN 0.154 nan 8.270 nan 0.000 0.445 689 V N 1.081 120.985 119.914 -0.016 0.000 2.307 689 V HA -0.218 3.902 4.120 0.001 0.000 0.245 689 V C 2.156 178.320 176.094 0.117 0.000 1.045 689 V CA 1.601 63.946 62.300 0.074 0.000 1.024 689 V CB -0.294 31.687 31.823 0.263 0.000 0.651 689 V HN 0.305 nan 8.190 nan 0.000 0.449 690 L N 0.147 121.436 121.223 0.111 0.000 2.083 690 L HA -0.188 4.152 4.340 0.001 0.000 0.209 690 L C 2.412 179.312 176.870 0.049 0.000 1.083 690 L CA 1.780 56.662 54.840 0.070 0.000 0.752 690 L CB -0.715 41.350 42.059 0.011 0.000 0.899 690 L HN 0.416 nan 8.230 nan 0.000 0.433 691 N N -0.021 118.676 118.700 -0.006 0.000 2.120 691 N HA -0.158 4.582 4.740 0.001 0.000 0.188 691 N C 1.729 177.308 175.510 0.115 0.000 1.024 691 N CA 1.216 54.281 53.050 0.024 0.000 0.852 691 N CB -0.107 38.361 38.487 -0.031 0.000 1.003 691 N HN 0.011 nan 8.380 nan 0.000 0.424 692 V N -0.099 119.875 119.914 0.101 0.000 2.343 692 V HA -0.300 3.820 4.120 0.001 0.000 0.247 692 V C 2.491 178.775 176.094 0.317 0.000 1.051 692 V CA 1.556 63.951 62.300 0.158 0.000 1.036 692 V CB -0.691 31.158 31.823 0.044 0.000 0.654 692 V HN 0.504 nan 8.190 nan 0.000 0.451 693 C N -0.563 118.913 119.300 0.294 0.000 2.432 693 C HA -0.162 4.298 4.460 0.001 0.000 0.277 693 C C 2.912 178.073 174.990 0.285 0.000 1.249 693 C CA 1.434 60.663 59.018 0.352 0.000 1.725 693 C CB -1.141 26.741 27.740 0.237 0.000 2.028 693 C HN 0.555 nan 8.230 nan 0.000 0.477 694 R N -0.054 120.567 120.500 0.200 0.000 2.070 694 R HA -0.186 4.154 4.340 0.001 0.000 0.233 694 R C 2.236 178.639 176.300 0.172 0.000 1.137 694 R CA 2.092 58.275 56.100 0.138 0.000 0.945 694 R CB -0.594 29.777 30.300 0.118 0.000 0.845 694 R HN 0.697 nan 8.270 nan 0.000 0.430 695 H N -0.801 118.375 119.070 0.177 0.000 2.387 695 H HA -0.195 4.361 4.556 0.001 0.000 0.299 695 H C 1.649 177.233 175.328 0.426 0.000 1.090 695 H CA 2.214 58.399 56.048 0.229 0.000 1.332 695 H CB -0.285 29.649 29.762 0.287 0.000 1.386 695 H HN 0.370 nan 8.280 nan 0.000 0.516 696 W N 0.734 122.242 121.300 0.345 0.000 2.333 696 W HA -0.189 4.471 4.660 0.000 0.000 0.316 696 W C 2.125 178.925 176.519 0.469 0.000 1.215 696 W CA 1.777 59.385 57.345 0.438 0.000 1.278 696 W CB -0.892 28.808 29.460 0.400 0.000 1.154 696 W HN 0.112 nan 8.180 nan 0.000 0.486 697 V N 0.350 120.522 119.914 0.430 0.000 2.453 697 V HA -0.244 3.877 4.120 0.001 0.000 0.247 697 V C 2.220 178.385 176.094 0.117 0.000 1.048 697 V CA 2.249 64.645 62.300 0.159 0.000 1.049 697 V CB -0.782 30.943 31.823 -0.163 0.000 0.672 697 V HN 0.118 nan 8.190 nan 0.000 0.457 698 E N -0.565 119.597 120.200 -0.064 0.000 2.047 698 E HA -0.173 4.178 4.350 0.001 0.000 0.191 698 E C 1.705 178.060 176.600 -0.408 0.000 0.987 698 E CA 1.418 57.606 56.400 -0.353 0.000 0.799 698 E CB 0.016 29.350 29.700 -0.610 0.000 0.752 698 E HN 0.796 nan 8.360 nan 0.000 0.449 699 H N -2.599 116.391 119.070 -0.133 0.000 2.893 699 H HA 0.217 4.773 4.556 0.001 0.000 0.270 699 H C -0.238 174.816 175.328 -0.457 0.000 1.095 699 H CA -0.107 55.736 56.048 -0.342 0.000 1.186 699 H CB 0.722 30.111 29.762 -0.621 0.000 1.562 699 H HN 0.095 nan 8.280 nan 0.000 0.536 700 H N -0.520 118.784 119.070 0.390 0.000 2.924 700 H HA -0.002 4.555 4.556 0.001 0.000 0.229 700 H C 0.229 175.888 175.328 0.552 0.000 1.345 700 H CA -0.231 56.119 56.048 0.504 0.000 1.044 700 H CB -0.073 30.025 29.762 0.560 0.000 2.221 700 H HN 0.279 nan 8.280 nan 0.000 0.574 701 F N 0.706 120.832 119.950 0.294 0.000 2.333 701 F HA -0.166 4.361 4.527 0.001 0.000 0.300 701 F C 1.377 177.279 175.800 0.170 0.000 1.083 701 F CA 1.016 59.160 58.000 0.240 0.000 1.395 701 F CB -0.106 38.868 39.000 -0.043 0.000 1.056 701 F HN 0.170 nan 8.300 nan 0.000 0.529 702 Y N 0.031 120.436 120.300 0.174 0.000 2.315 702 Y HA -0.260 4.290 4.550 0.001 0.000 0.288 702 Y C 2.310 178.159 175.900 -0.085 0.000 1.154 702 Y CA 1.341 59.462 58.100 0.035 0.000 1.229 702 Y CB -0.836 37.671 38.460 0.077 0.000 0.980 702 Y HN 0.019 nan 8.280 nan 0.000 0.540 703 D N -0.363 120.062 120.400 0.041 0.000 2.123 703 D HA -0.165 4.475 4.640 0.001 0.000 0.196 703 D C 1.800 177.822 176.300 -0.463 0.000 0.992 703 D CA 1.422 55.309 54.000 -0.189 0.000 0.833 703 D CB -0.468 40.215 40.800 -0.194 0.000 0.954 703 D HN 0.317 nan 8.370 nan 0.000 0.455 704 F N 1.182 120.918 119.950 -0.357 0.000 2.293 704 F HA 0.052 4.579 4.527 0.001 0.000 0.297 704 F C 2.398 177.904 175.800 -0.490 0.000 1.089 704 F CA 0.519 58.196 58.000 -0.538 0.000 1.377 704 F CB -0.351 38.119 39.000 -0.885 0.000 1.051 704 F HN -0.076 nan 8.300 nan 0.000 0.511 705 E N 0.215 120.194 120.200 -0.369 0.000 2.106 705 E HA -0.138 4.212 4.350 0.001 0.000 0.192 705 E C 2.042 178.606 176.600 -0.060 0.000 0.984 705 E CA 0.839 57.130 56.400 -0.183 0.000 0.806 705 E CB -0.122 29.521 29.700 -0.094 0.000 0.750 705 E HN 0.414 nan 8.360 nan 0.000 0.458 706 R N 0.217 120.688 120.500 -0.049 0.000 2.275 706 R HA 0.038 4.378 4.340 0.001 0.000 0.199 706 R C 0.191 176.478 176.300 -0.020 0.000 0.989 706 R CA 0.403 56.496 56.100 -0.013 0.000 1.016 706 R CB 0.319 30.621 30.300 0.004 0.000 0.918 706 R HN -0.046 nan 8.270 nan 0.000 0.473 707 D N -0.344 120.029 120.400 -0.046 0.000 2.402 707 D HA 0.246 4.887 4.640 0.001 0.000 0.252 707 D C 0.297 176.605 176.300 0.013 0.000 1.294 707 D CA -0.252 53.741 54.000 -0.012 0.000 0.948 707 D CB 1.497 42.278 40.800 -0.031 0.000 1.202 707 D HN 0.004 nan 8.370 nan 0.000 0.561 708 A N 3.523 126.372 122.820 0.049 0.000 1.908 708 A HA -0.244 4.076 4.320 0.001 0.000 0.218 708 A C 1.766 179.427 177.584 0.129 0.000 1.181 708 A CA 1.160 53.240 52.037 0.072 0.000 0.627 708 A CB -0.694 18.349 19.000 0.071 0.000 0.818 708 A HN 0.668 nan 8.150 nan 0.000 0.445 709 Y N -0.080 120.223 120.300 0.006 0.000 2.224 709 Y HA -0.127 4.423 4.550 0.001 0.000 0.289 709 Y C 1.981 177.894 175.900 0.021 0.000 1.146 709 Y CA 1.265 59.373 58.100 0.013 0.000 1.182 709 Y CB -0.524 37.942 38.460 0.011 0.000 0.983 709 Y HN 0.246 nan 8.280 nan 0.000 0.524 710 L N -0.368 120.825 121.223 -0.051 0.000 2.012 710 L HA -0.194 4.146 4.340 0.001 0.000 0.210 710 L C 2.308 179.170 176.870 -0.013 0.000 1.073 710 L CA 1.773 56.538 54.840 -0.125 0.000 0.748 710 L CB -1.102 40.867 42.059 -0.150 0.000 0.891 710 L HN 0.347 nan 8.230 nan 0.000 0.431 711 L N -0.724 120.553 121.223 0.090 0.000 2.027 711 L HA -0.221 4.119 4.340 0.001 0.000 0.206 711 L C 2.496 179.343 176.870 -0.038 0.000 1.074 711 L CA 1.744 56.620 54.840 0.060 0.000 0.745 711 L CB -0.677 41.400 42.059 0.031 0.000 0.898 711 L HN 0.415 nan 8.230 nan 0.000 0.433 712 Q N -0.760 119.030 119.800 -0.017 0.000 2.096 712 Q HA -0.235 4.105 4.340 0.001 0.000 0.204 712 Q C 2.310 178.267 176.000 -0.070 0.000 0.982 712 Q CA 1.943 57.742 55.803 -0.007 0.000 0.850 712 Q CB -0.244 28.555 28.738 0.102 0.000 0.901 712 Q HN 0.514 nan 8.270 nan 0.000 0.422 713 R N -0.198 120.179 120.500 -0.206 0.000 2.092 713 R HA -0.109 4.231 4.340 0.001 0.000 0.231 713 R C 2.192 178.453 176.300 -0.065 0.000 1.119 713 R CA 1.379 57.354 56.100 -0.208 0.000 0.970 713 R CB -0.223 29.840 30.300 -0.394 0.000 0.864 713 R HN 0.235 nan 8.270 nan 0.000 0.440 714 M N 1.344 120.903 119.600 -0.068 0.000 2.132 714 M HA -0.105 4.375 4.480 0.001 0.000 0.263 714 M C 1.481 177.766 176.300 -0.024 0.000 1.065 714 M CA 1.779 57.062 55.300 -0.028 0.000 1.122 714 M CB 0.043 32.542 32.600 -0.168 0.000 1.365 714 M HN 0.002 nan 8.290 nan 0.000 0.411 715 E N -0.420 119.737 120.200 -0.071 0.000 2.110 715 E HA -0.218 4.132 4.350 0.001 0.000 0.193 715 E C 1.971 178.546 176.600 -0.042 0.000 0.988 715 E CA 1.578 57.937 56.400 -0.069 0.000 0.804 715 E CB -0.186 29.477 29.700 -0.060 0.000 0.745 715 E HN 0.636 nan 8.360 nan 0.000 0.458 716 E N -0.025 120.171 120.200 -0.006 0.000 2.107 716 E HA -0.133 4.217 4.350 0.001 0.000 0.191 716 E C 1.618 178.242 176.600 0.040 0.000 0.982 716 E CA 0.520 56.929 56.400 0.015 0.000 0.809 716 E CB -0.069 29.652 29.700 0.036 0.000 0.756 716 E HN 0.168 nan 8.360 nan 0.000 0.459 717 F N 1.482 121.376 119.950 -0.092 0.000 2.051 717 F HA -0.207 4.321 4.527 0.001 0.000 0.296 717 F C 1.792 177.505 175.800 -0.145 0.000 1.122 717 F CA 1.159 59.090 58.000 -0.116 0.000 1.201 717 F CB -0.296 38.622 39.000 -0.136 0.000 0.978 717 F HN -0.056 nan 8.300 nan 0.000 0.472 718 I N 1.074 121.388 120.570 -0.426 0.000 2.264 718 I HA -0.229 3.942 4.170 0.001 0.000 0.248 718 I C 2.675 178.594 176.117 -0.329 0.000 1.111 718 I CA 1.607 62.606 61.300 -0.501 0.000 1.382 718 I CB -2.394 35.452 38.000 -0.257 0.000 1.060 718 I HN 0.370 nan 8.210 nan 0.000 0.418 719 G N 0.057 108.738 108.800 -0.197 0.000 2.650 719 G HA2 -0.140 3.821 3.960 0.001 0.000 0.214 719 G HA3 -0.140 3.821 3.960 0.001 0.000 0.214 719 G C 1.563 176.399 174.900 -0.106 0.000 1.136 719 G CA 1.027 46.053 45.100 -0.123 0.000 0.789 719 G HN 0.507 nan 8.290 nan 0.000 0.536 720 T N -1.944 112.529 114.554 -0.135 0.000 3.044 720 T HA 0.201 4.552 4.350 0.001 0.000 0.250 720 T C 0.849 175.500 174.700 -0.083 0.000 1.081 720 T CA -0.228 61.830 62.100 -0.069 0.000 1.040 720 T CB 0.154 69.023 68.868 0.001 0.000 0.962 720 T HN -0.116 nan 8.240 nan 0.000 0.506 721 V N 3.355 123.150 119.914 -0.199 0.000 2.425 721 V HA 0.222 4.342 4.120 0.001 0.000 0.276 721 V C 0.656 176.739 176.094 -0.017 0.000 1.017 721 V CA -0.072 62.153 62.300 -0.125 0.000 1.062 721 V CB -0.621 31.040 31.823 -0.269 0.000 0.997 721 V HN 0.443 nan 8.190 nan 0.000 0.476 722 R N 3.139 123.667 120.500 0.047 0.000 2.607 722 R HA 0.788 5.128 4.340 0.001 0.000 0.261 722 R C 0.394 176.730 176.300 0.060 0.000 1.051 722 R CA -0.089 56.037 56.100 0.042 0.000 1.110 722 R CB 1.554 31.879 30.300 0.042 0.000 1.158 722 R HN 0.984 nan 8.270 nan 0.000 0.543 723 G N 0.726 109.552 108.800 0.043 0.000 2.770 723 G HA2 -0.180 3.780 3.960 0.001 0.000 0.686 723 G HA3 -0.180 3.780 3.960 0.001 0.000 0.686 723 G C 0.120 175.046 174.900 0.044 0.000 1.180 723 G CA -0.223 44.904 45.100 0.047 0.000 0.767 723 G HN 0.720 nan 8.290 nan 0.000 0.646 724 K N 0.534 120.955 120.400 0.035 0.000 2.366 724 K HA 0.391 4.711 4.320 0.001 0.000 0.198 724 K C 2.075 178.699 176.600 0.040 0.000 1.044 724 K CA 1.419 57.719 56.287 0.023 0.000 0.973 724 K CB 0.324 32.832 32.500 0.013 0.000 0.767 724 K HN 1.181 nan 8.250 nan 0.000 0.475 725 A N 0.905 123.770 122.820 0.074 0.000 2.252 725 A HA 0.142 4.463 4.320 0.001 0.000 0.207 725 A C 1.544 179.262 177.584 0.224 0.000 1.194 725 A CA 0.460 52.572 52.037 0.125 0.000 0.809 725 A CB -0.248 18.815 19.000 0.105 0.000 0.814 725 A HN 0.336 nan 8.150 nan 0.000 0.482 726 M N -2.558 117.159 119.600 0.195 0.000 2.139 726 M HA 0.140 4.621 4.480 0.001 0.000 0.343 726 M C 1.494 177.912 176.300 0.196 0.000 0.886 726 M CA 0.269 55.749 55.300 0.299 0.000 1.134 726 M CB -0.295 32.441 32.600 0.227 0.000 2.064 726 M HN 0.436 nan 8.290 nan 0.000 0.699 727 K N 1.762 122.202 120.400 0.067 0.000 2.127 727 K HA -0.262 4.058 4.320 0.001 0.000 0.208 727 K C 1.924 178.482 176.600 -0.070 0.000 1.047 727 K CA 2.077 58.359 56.287 -0.008 0.000 0.927 727 K CB 0.131 32.611 32.500 -0.033 0.000 0.716 727 K HN 0.007 nan 8.250 nan 0.000 0.450 728 K N 0.214 120.503 120.400 -0.185 0.000 2.032 728 K HA -0.160 4.160 4.320 0.001 0.000 0.209 728 K C 1.767 178.164 176.600 -0.340 0.000 1.048 728 K CA 1.859 57.907 56.287 -0.398 0.000 0.927 728 K CB -0.330 31.686 32.500 -0.806 0.000 0.712 728 K HN 0.324 nan 8.250 nan 0.000 0.441 729 W N 0.205 121.478 121.300 -0.044 0.000 2.476 729 W HA -0.002 4.658 4.660 0.001 0.000 0.281 729 W C 1.953 178.436 176.519 -0.060 0.000 1.230 729 W CA 0.501 57.823 57.345 -0.038 0.000 1.287 729 W CB -0.490 28.960 29.460 -0.018 0.000 1.108 729 W HN -0.053 nan 8.180 nan 0.000 0.567 730 V N 0.911 120.902 119.914 0.129 0.000 2.295 730 V HA -0.272 3.848 4.120 0.001 0.000 0.246 730 V C 2.387 178.462 176.094 -0.030 0.000 1.049 730 V CA 1.863 64.166 62.300 0.005 0.000 1.024 730 V CB -0.708 31.094 31.823 -0.035 0.000 0.648 730 V HN -0.011 nan 8.190 nan 0.000 0.447 731 E N 0.010 120.186 120.200 -0.041 0.000 2.085 731 E HA -0.206 4.144 4.350 0.001 0.000 0.194 731 E C 2.464 179.029 176.600 -0.058 0.000 0.994 731 E CA 1.678 58.042 56.400 -0.060 0.000 0.801 731 E CB -0.641 29.014 29.700 -0.075 0.000 0.743 731 E HN 0.565 nan 8.360 nan 0.000 0.453 732 S N 0.606 116.278 115.700 -0.048 0.000 2.348 732 S HA -0.124 4.346 4.470 0.001 0.000 0.221 732 S C 2.139 176.721 174.600 -0.030 0.000 1.033 732 S CA 1.012 59.190 58.200 -0.037 0.000 1.010 732 S CB -0.248 62.947 63.200 -0.007 0.000 0.891 732 S HN 0.194 nan 8.310 nan 0.000 0.442 733 I N 1.006 121.572 120.570 -0.008 0.000 2.286 733 I HA -0.148 4.022 4.170 0.001 0.000 0.248 733 I C 2.610 178.679 176.117 -0.079 0.000 1.115 733 I CA 1.428 62.707 61.300 -0.035 0.000 1.392 733 I CB -0.857 37.130 38.000 -0.021 0.000 1.065 733 I HN 0.334 nan 8.210 nan 0.000 0.418 734 T N 0.525 115.032 114.554 -0.078 0.000 2.720 734 T HA -0.244 4.107 4.350 0.001 0.000 0.268 734 T C 1.962 176.607 174.700 -0.091 0.000 1.037 734 T CA 1.549 63.596 62.100 -0.089 0.000 1.144 734 T CB -0.163 68.658 68.868 -0.080 0.000 0.864 734 T HN 0.322 nan 8.240 nan 0.000 0.444 735 K N 0.574 120.924 120.400 -0.084 0.000 2.097 735 K HA 0.028 4.348 4.320 0.001 0.000 0.205 735 K C 2.210 178.742 176.600 -0.112 0.000 1.050 735 K CA 0.995 57.229 56.287 -0.089 0.000 0.938 735 K CB -0.224 32.230 32.500 -0.078 0.000 0.718 735 K HN 0.318 nan 8.250 nan 0.000 0.442 736 I N 1.058 121.558 120.570 -0.117 0.000 2.226 736 I HA -0.279 3.891 4.170 0.001 0.000 0.245 736 I C 2.195 178.186 176.117 -0.209 0.000 1.100 736 I CA 1.092 62.300 61.300 -0.154 0.000 1.374 736 I CB -0.200 37.718 38.000 -0.137 0.000 1.057 736 I HN 0.180 nan 8.210 nan 0.000 0.413 737 I N 0.296 120.754 120.570 -0.186 0.000 2.226 737 I HA -0.278 3.892 4.170 0.001 0.000 0.245 737 I C 2.577 178.579 176.117 -0.192 0.000 1.100 737 I CA 1.156 62.334 61.300 -0.203 0.000 1.374 737 I CB -0.387 37.517 38.000 -0.160 0.000 1.057 737 I HN 0.310 nan 8.210 nan 0.000 0.413 738 Q N 0.473 120.186 119.800 -0.145 0.000 2.167 738 Q HA -0.126 4.214 4.340 0.001 0.000 0.202 738 Q C 2.231 178.143 176.000 -0.146 0.000 0.970 738 Q CA 1.221 56.953 55.803 -0.118 0.000 0.855 738 Q CB -0.351 28.334 28.738 -0.087 0.000 0.911 738 Q HN 0.506 nan 8.270 nan 0.000 0.438 739 R N 0.316 120.710 120.500 -0.177 0.000 2.115 739 R HA -0.019 4.321 4.340 0.001 0.000 0.226 739 R C 1.977 178.120 176.300 -0.261 0.000 1.100 739 R CA 0.599 56.589 56.100 -0.184 0.000 0.980 739 R CB 0.152 30.349 30.300 -0.171 0.000 0.875 739 R HN 0.026 nan 8.270 nan 0.000 0.445 740 K N 0.695 120.847 120.400 -0.414 0.000 2.288 740 K HA -0.089 4.231 4.320 0.001 0.000 0.201 740 K C 1.585 177.875 176.600 -0.517 0.000 1.048 740 K CA 1.130 56.994 56.287 -0.706 0.000 0.956 740 K CB 0.168 31.781 32.500 -1.478 0.000 0.746 740 K HN 0.175 nan 8.250 nan 0.000 0.461 741 K N 0.542 120.784 120.400 -0.263 0.000 2.211 741 K HA 0.077 4.397 4.320 0.001 0.000 0.201 741 K C 2.138 178.706 176.600 -0.053 0.000 1.052 741 K CA 0.522 56.770 56.287 -0.064 0.000 0.973 741 K CB 0.019 32.518 32.500 -0.003 0.000 0.766 741 K HN 0.172 nan 8.250 nan 0.000 0.466 742 I N -2.182 118.338 120.570 -0.083 0.000 2.406 742 I HA 0.091 4.262 4.170 0.001 0.000 0.249 742 I C 0.838 176.924 176.117 -0.051 0.000 1.122 742 I CA 0.284 61.550 61.300 -0.057 0.000 1.431 742 I CB 0.027 37.990 38.000 -0.061 0.000 1.087 742 I HN -0.061 nan 8.210 nan 0.000 0.424 751 N N 1.639 120.374 118.700 0.058 0.000 2.424 751 N HA 0.209 4.949 4.740 0.001 0.000 0.257 751 N C -0.534 174.913 175.510 -0.105 0.000 1.250 751 N CA -0.058 52.970 53.050 -0.036 0.000 0.946 751 N CB 0.681 39.156 38.487 -0.021 0.000 1.175 751 N HN 0.317 nan 8.380 nan 0.000 0.477 752 I N 1.308 121.776 120.570 -0.170 0.000 2.498 752 I HA 0.260 4.430 4.170 0.001 0.000 0.290 752 I C -0.346 175.558 176.117 -0.356 0.000 1.032 752 I CA -0.443 60.670 61.300 -0.311 0.000 1.073 752 I CB 1.202 38.956 38.000 -0.409 0.000 1.251 752 I HN 0.448 nan 8.210 nan 0.000 0.426 753 T N 6.066 120.385 114.554 -0.393 0.000 2.855 753 T HA 0.683 5.034 4.350 0.001 0.000 0.281 753 T C -0.654 173.798 174.700 -0.413 0.000 1.007 753 T CA -0.226 61.709 62.100 -0.274 0.000 1.009 753 T CB 1.161 69.953 68.868 -0.126 0.000 0.983 753 T HN 0.121 nan 8.240 nan 0.000 0.455 754 F N 1.031 120.984 119.950 0.005 0.000 2.561 754 F HA 0.406 4.934 4.527 0.001 0.000 0.321 754 F C 1.586 177.390 175.800 0.006 0.000 1.065 754 F CA -0.976 57.027 58.000 0.005 0.000 0.934 754 F CB 1.824 40.828 39.000 0.007 0.000 1.215 754 F HN 0.572 nan 8.300 nan 0.000 0.471 755 Q N 0.355 120.316 119.800 0.268 0.000 1.921 755 Q HA -0.092 4.248 4.340 0.001 0.000 0.208 755 Q C 0.931 176.997 176.000 0.110 0.000 0.994 755 Q CA 1.544 57.430 55.803 0.138 0.000 0.857 755 Q CB -0.283 28.519 28.738 0.107 0.000 0.925 755 Q HN 0.596 nan 8.270 nan 0.000 0.421 756 S N -0.802 114.949 115.700 0.085 0.000 2.690 756 S HA 0.321 4.791 4.470 0.001 0.000 0.285 756 S C -0.387 174.230 174.600 0.027 0.000 1.135 756 S CA -0.765 57.458 58.200 0.037 0.000 1.020 756 S CB 1.488 64.687 63.200 -0.002 0.000 1.159 756 S HN 0.208 nan 8.310 nan 0.000 0.534 757 S N 1.353 117.051 115.700 -0.004 0.000 2.565 757 S HA 0.646 5.117 4.470 0.001 0.000 0.290 757 S C -2.605 171.952 174.600 -0.071 0.000 1.150 757 S CA -1.713 56.479 58.200 -0.013 0.000 1.058 757 S CB 0.761 63.965 63.200 0.007 0.000 1.032 757 S HN 0.626 nan 8.310 nan 0.000 0.510 758 P HA 0.264 nan 4.420 nan 0.000 0.269 758 P C -2.643 174.614 177.300 -0.072 0.000 1.209 758 P CA -1.106 61.923 63.100 -0.117 0.000 0.776 758 P CB -0.455 31.184 31.700 -0.102 0.000 0.876 759 P HA 0.052 nan 4.420 nan 0.000 0.272 759 P C -0.214 177.049 177.300 -0.062 0.000 1.230 759 P CA 0.048 63.107 63.100 -0.067 0.000 0.788 759 P CB 0.186 31.838 31.700 -0.080 0.000 0.949 760 T N 1.001 115.524 114.554 -0.052 0.000 2.916 760 T HA 0.109 4.460 4.350 0.001 0.000 0.303 760 T C 0.513 175.167 174.700 -0.077 0.000 1.025 760 T CA -0.239 61.839 62.100 -0.037 0.000 1.142 760 T CB 0.083 68.942 68.868 -0.015 0.000 0.947 760 T HN 0.113 nan 8.240 nan 0.000 0.544 761 V N 4.500 124.376 119.914 -0.063 0.000 2.599 761 V HA 0.055 4.175 4.120 0.001 0.000 0.300 761 V C 0.802 176.747 176.094 -0.248 0.000 1.034 761 V CA 0.196 62.394 62.300 -0.171 0.000 1.115 761 V CB 0.249 32.001 31.823 -0.118 0.000 0.934 761 V HN 0.784 nan 8.190 nan 0.000 0.485 762 E N 3.610 123.553 120.200 -0.429 0.000 2.191 762 E HA 0.364 4.715 4.350 0.001 0.000 0.278 762 E C -1.280 175.011 176.600 -0.516 0.000 0.972 762 E CA -0.343 55.810 56.400 -0.412 0.000 0.804 762 E CB 1.823 31.137 29.700 -0.642 0.000 1.110 762 E HN 0.631 nan 8.360 nan 0.000 0.394 763 W N 0.397 121.722 121.300 0.042 0.000 2.761 763 W HA 0.240 4.900 4.660 0.000 0.000 0.340 763 W C 0.672 177.326 176.519 0.225 0.000 1.072 763 W CA -0.379 57.028 57.345 0.102 0.000 1.215 763 W CB 1.109 30.601 29.460 0.053 0.000 1.420 763 W HN 0.679 nan 8.180 nan 0.000 0.519 764 H N 0.434 119.672 119.070 0.281 0.000 5.184 764 H HA 0.409 4.965 4.556 0.000 0.000 0.116 764 H C 1.356 176.722 175.328 0.064 0.000 1.337 764 H CA 0.606 56.714 56.048 0.101 0.000 0.532 764 H CB -0.195 29.517 29.762 -0.083 0.000 1.643 764 H HN 0.378 nan 8.280 nan 0.000 0.225 765 I N 0.193 120.464 120.570 -0.498 0.000 2.193 765 I HA -0.064 4.106 4.170 0.001 0.000 0.240 765 I C 0.529 176.556 176.117 -0.150 0.000 1.084 765 I CA 0.681 61.721 61.300 -0.432 0.000 1.365 765 I CB -0.267 37.353 38.000 -0.632 0.000 1.064 765 I HN 0.124 nan 8.210 nan 0.000 0.410 766 S N 2.298 117.970 115.700 -0.047 0.000 2.549 766 S HA 0.205 4.676 4.470 0.001 0.000 0.283 766 S C 0.123 174.844 174.600 0.202 0.000 1.320 766 S CA -0.431 57.846 58.200 0.128 0.000 1.058 766 S CB 0.436 63.785 63.200 0.248 0.000 0.882 766 S HN 0.139 nan 8.310 nan 0.000 0.498 767 R N 1.840 122.406 120.500 0.110 0.000 2.758 767 R HA 0.499 4.839 4.340 0.001 0.000 0.265 767 R C -2.898 173.165 176.300 -0.395 0.000 1.016 767 R CA -2.854 53.159 56.100 -0.146 0.000 1.040 767 R CB -0.758 29.511 30.300 -0.051 0.000 1.152 767 R HN 0.293 nan 8.270 nan 0.000 0.503 768 P HA 0.033 nan 4.420 nan 0.000 0.262 768 P C 0.620 177.692 177.300 -0.381 0.000 1.182 768 P CA 1.173 63.743 63.100 -0.883 0.000 0.761 768 P CB 0.345 31.575 31.700 -0.783 0.000 0.795 769 G N 2.510 111.176 108.800 -0.224 0.000 2.225 769 G HA2 -0.240 3.720 3.960 0.001 0.000 0.254 769 G HA3 -0.240 3.720 3.960 0.001 0.000 0.254 769 G C 0.435 175.076 174.900 -0.431 0.000 0.988 769 G CA -0.289 44.629 45.100 -0.303 0.000 0.625 769 G HN 0.676 nan 8.290 nan 0.000 0.527 770 H N 1.167 120.146 119.070 -0.151 0.000 2.557 770 H HA 0.317 4.873 4.556 0.000 0.000 0.236 770 H C 2.273 177.316 175.328 -0.475 0.000 1.676 770 H CA 0.284 56.219 56.048 -0.188 0.000 1.197 770 H CB -0.602 29.115 29.762 -0.076 0.000 1.604 770 H HN 0.683 nan 8.280 nan 0.000 0.509 771 I N -1.293 118.834 120.570 -0.738 0.000 2.502 771 I HA -0.260 3.911 4.170 0.001 0.000 0.258 771 I C 1.127 176.806 176.117 -0.731 0.000 1.172 771 I CA 1.339 61.806 61.300 -1.389 0.000 1.430 771 I CB -0.001 37.560 38.000 -0.732 0.000 1.086 771 I HN 0.078 nan 8.210 nan 0.000 0.440 772 E N 1.642 121.656 120.200 -0.309 0.000 2.274 772 E HA -0.129 4.222 4.350 0.001 0.000 0.194 772 E C 1.988 178.578 176.600 -0.017 0.000 0.996 772 E CA 1.454 57.793 56.400 -0.102 0.000 0.840 772 E CB -0.697 28.983 29.700 -0.033 0.000 0.772 772 E HN 0.745 nan 8.360 nan 0.000 0.491 773 T N -1.868 112.687 114.554 0.001 0.000 3.060 773 T HA 0.111 4.462 4.350 0.001 0.000 0.249 773 T C 0.216 175.031 174.700 0.192 0.000 1.079 773 T CA -0.508 61.653 62.100 0.101 0.000 1.013 773 T CB -0.282 68.636 68.868 0.084 0.000 0.975 773 T HN -0.131 nan 8.240 nan 0.000 0.518 774 F N 2.982 122.833 119.950 -0.164 0.000 2.608 774 F HA 0.536 5.063 4.527 0.001 0.000 0.380 774 F C 0.835 176.368 175.800 -0.445 0.000 1.083 774 F CA -0.736 56.994 58.000 -0.450 0.000 1.266 774 F CB -0.138 38.330 39.000 -0.887 0.000 1.076 774 F HN 0.244 nan 8.300 nan 0.000 0.574 775 D N 1.048 121.349 120.400 -0.164 0.000 2.725 775 D HA 0.088 4.729 4.640 0.001 0.000 0.292 775 D C 0.562 176.992 176.300 0.216 0.000 1.288 775 D CA -0.618 53.477 54.000 0.159 0.000 0.784 775 D CB 1.117 42.063 40.800 0.243 0.000 1.308 775 D HN 0.305 nan 8.370 nan 0.000 0.429 776 L N 1.140 122.614 121.223 0.417 0.000 2.043 776 L HA -0.044 4.297 4.340 0.001 0.000 0.212 776 L C 1.650 178.599 176.870 0.131 0.000 1.075 776 L CA 1.991 57.033 54.840 0.337 0.000 0.752 776 L CB -0.366 41.749 42.059 0.095 0.000 0.891 776 L HN 0.515 nan 8.230 nan 0.000 0.432 777 L N -1.600 119.639 121.223 0.026 0.000 2.529 777 L HA 0.057 4.398 4.340 0.001 0.000 0.223 777 L C 2.025 178.847 176.870 -0.079 0.000 1.113 777 L CA 0.820 55.639 54.840 -0.036 0.000 0.861 777 L CB -0.695 41.317 42.059 -0.078 0.000 1.012 777 L HN 0.419 nan 8.230 nan 0.000 0.461 778 T N -2.945 111.506 114.554 -0.171 0.000 3.044 778 T HA 0.188 4.538 4.350 0.001 0.000 0.255 778 T C 0.842 175.490 174.700 -0.086 0.000 1.073 778 T CA -0.035 61.902 62.100 -0.271 0.000 1.125 778 T CB 0.027 68.672 68.868 -0.372 0.000 0.908 778 T HN -0.001 nan 8.240 nan 0.000 0.480 779 L N 1.964 123.139 121.223 -0.080 0.000 2.418 779 L HA 0.327 4.668 4.340 0.001 0.000 0.265 779 L C 0.736 177.607 176.870 0.002 0.000 1.143 779 L CA -1.028 53.745 54.840 -0.112 0.000 0.809 779 L CB 0.577 42.502 42.059 -0.223 0.000 1.124 779 L HN 0.331 nan 8.230 nan 0.000 0.456 780 H N 4.669 123.687 119.070 -0.087 0.000 2.803 780 H HA 0.066 4.623 4.556 0.000 0.000 0.330 780 H C -1.734 173.504 175.328 -0.151 0.000 1.057 780 H CA -1.760 54.210 56.048 -0.131 0.000 1.458 780 H CB 1.551 31.215 29.762 -0.164 0.000 1.470 780 H HN 0.333 nan 8.280 nan 0.000 0.560 781 P HA -0.164 nan 4.420 nan 0.000 0.218 781 P C 1.756 179.064 177.300 0.013 0.000 1.148 781 P CA 1.122 64.207 63.100 -0.025 0.000 0.822 781 P CB 0.452 32.078 31.700 -0.123 0.000 0.784 782 I N -0.205 120.472 120.570 0.179 0.000 2.179 782 I HA -0.208 3.963 4.170 0.001 0.000 0.242 782 I C 2.602 178.632 176.117 -0.145 0.000 1.088 782 I CA 1.538 62.798 61.300 -0.067 0.000 1.357 782 I CB -0.612 37.252 38.000 -0.227 0.000 1.051 782 I HN -0.048 nan 8.210 nan 0.000 0.409 783 E N 1.178 121.283 120.200 -0.159 0.000 2.204 783 E HA -0.117 4.234 4.350 0.001 0.000 0.194 783 E C 2.051 178.576 176.600 -0.125 0.000 0.989 783 E CA 0.941 57.214 56.400 -0.211 0.000 0.824 783 E CB -0.118 29.367 29.700 -0.357 0.000 0.756 783 E HN 0.421 nan 8.360 nan 0.000 0.477 784 I N -0.032 120.503 120.570 -0.058 0.000 2.142 784 I HA -0.287 3.883 4.170 0.001 0.000 0.240 784 I C 2.286 178.307 176.117 -0.160 0.000 1.078 784 I CA 1.125 62.422 61.300 -0.005 0.000 1.343 784 I CB -0.447 37.626 38.000 0.121 0.000 1.046 784 I HN 0.148 nan 8.210 nan 0.000 0.405 785 A N 0.791 123.472 122.820 -0.233 0.000 1.908 785 A HA -0.222 4.098 4.320 0.001 0.000 0.218 785 A C 2.387 179.925 177.584 -0.076 0.000 1.181 785 A CA 1.605 53.442 52.037 -0.333 0.000 0.627 785 A CB -0.586 18.110 19.000 -0.506 0.000 0.818 785 A HN 0.321 nan 8.150 nan 0.000 0.445 786 R N -1.023 119.404 120.500 -0.121 0.000 2.062 786 R HA -0.109 4.231 4.340 0.001 0.000 0.231 786 R C 2.495 178.727 176.300 -0.113 0.000 1.136 786 R CA 1.462 57.489 56.100 -0.121 0.000 0.948 786 R CB -0.309 29.910 30.300 -0.136 0.000 0.845 786 R HN 0.499 nan 8.270 nan 0.000 0.430 787 Q N 0.651 120.395 119.800 -0.094 0.000 2.124 787 Q HA -0.116 4.224 4.340 0.001 0.000 0.202 787 Q C 2.253 178.203 176.000 -0.084 0.000 0.977 787 Q CA 1.305 57.076 55.803 -0.054 0.000 0.850 787 Q CB -0.186 28.574 28.738 0.036 0.000 0.901 787 Q HN 0.404 nan 8.270 nan 0.000 0.429 788 L N 0.090 121.227 121.223 -0.144 0.000 2.141 788 L HA -0.133 4.208 4.340 0.001 0.000 0.209 788 L C 2.241 179.081 176.870 -0.049 0.000 1.094 788 L CA 1.099 55.870 54.840 -0.115 0.000 0.763 788 L CB -0.401 41.635 42.059 -0.038 0.000 0.908 788 L HN 0.191 nan 8.230 nan 0.000 0.437 789 T N -0.012 114.510 114.554 -0.053 0.000 2.857 789 T HA -0.090 4.261 4.350 0.001 0.000 0.266 789 T C 1.968 176.489 174.700 -0.298 0.000 1.048 789 T CA 0.914 62.884 62.100 -0.216 0.000 1.139 789 T CB -0.060 68.609 68.868 -0.332 0.000 0.874 789 T HN 0.174 nan 8.240 nan 0.000 0.455 790 L N 0.261 121.352 121.223 -0.221 0.000 2.027 790 L HA -0.047 4.294 4.340 0.001 0.000 0.206 790 L C 2.391 179.220 176.870 -0.069 0.000 1.074 790 L CA 0.777 55.543 54.840 -0.124 0.000 0.745 790 L CB -0.464 41.558 42.059 -0.061 0.000 0.898 790 L HN 0.216 nan 8.230 nan 0.000 0.433 791 L N 0.120 121.289 121.223 -0.090 0.000 1.989 791 L HA -0.245 4.095 4.340 0.001 0.000 0.211 791 L C 2.389 179.162 176.870 -0.162 0.000 1.071 791 L CA 1.898 56.662 54.840 -0.127 0.000 0.749 791 L CB -0.456 41.498 42.059 -0.175 0.000 0.890 791 L HN 0.197 nan 8.230 nan 0.000 0.431 792 E N -1.616 118.491 120.200 -0.154 0.000 2.204 792 E HA -0.189 4.161 4.350 0.001 0.000 0.194 792 E C 2.273 178.900 176.600 0.045 0.000 0.989 792 E CA 1.052 57.404 56.400 -0.080 0.000 0.824 792 E CB -0.094 29.581 29.700 -0.041 0.000 0.756 792 E HN 0.492 nan 8.360 nan 0.000 0.477 793 S N 0.618 116.347 115.700 0.050 0.000 2.355 793 S HA -0.162 4.309 4.470 0.001 0.000 0.222 793 S C 1.490 176.218 174.600 0.212 0.000 1.031 793 S CA 1.292 59.611 58.200 0.199 0.000 0.993 793 S CB -0.119 63.234 63.200 0.256 0.000 0.859 793 S HN 0.176 nan 8.310 nan 0.000 0.453 794 D N 1.312 121.780 120.400 0.114 0.000 2.144 794 D HA -0.042 4.599 4.640 0.001 0.000 0.199 794 D C 1.966 178.309 176.300 0.072 0.000 0.984 794 D CA 0.877 54.931 54.000 0.090 0.000 0.834 794 D CB -0.377 40.450 40.800 0.046 0.000 0.955 794 D HN 0.393 nan 8.370 nan 0.000 0.465 795 L N -0.267 120.982 121.223 0.044 0.000 2.046 795 L HA -0.194 4.146 4.340 0.001 0.000 0.208 795 L C 2.481 179.399 176.870 0.079 0.000 1.077 795 L CA 0.933 55.787 54.840 0.023 0.000 0.747 795 L CB -0.490 41.553 42.059 -0.027 0.000 0.896 795 L HN 0.048 nan 8.230 nan 0.000 0.432 796 Y N 1.136 121.474 120.300 0.064 0.000 2.145 796 Y HA -0.225 4.326 4.550 0.001 0.000 0.286 796 Y C 2.651 178.632 175.900 0.135 0.000 1.145 796 Y CA 1.474 59.666 58.100 0.152 0.000 1.148 796 Y CB -0.172 38.413 38.460 0.208 0.000 0.981 796 Y HN -0.041 nan 8.280 nan 0.000 0.507 797 R N -0.180 120.352 120.500 0.054 0.000 2.237 797 R HA -0.010 4.330 4.340 0.001 0.000 0.219 797 R C 2.047 178.318 176.300 -0.049 0.000 1.080 797 R CA 0.764 56.849 56.100 -0.025 0.000 0.995 797 R CB -0.303 30.067 30.300 0.118 0.000 0.875 797 R HN 0.393 nan 8.270 nan 0.000 0.462 798 A N 0.556 123.356 122.820 -0.033 0.000 2.251 798 A HA 0.117 4.438 4.320 0.001 0.000 0.209 798 A C 0.562 178.086 177.584 -0.100 0.000 1.187 798 A CA -0.085 51.937 52.037 -0.025 0.000 0.823 798 A CB 0.483 19.485 19.000 0.004 0.000 0.846 798 A HN -0.008 nan 8.150 nan 0.000 0.486 799 V N 2.468 122.292 119.914 -0.149 0.000 2.455 799 V HA 0.143 4.264 4.120 0.001 0.000 0.273 799 V C -0.200 175.803 176.094 -0.152 0.000 1.045 799 V CA -0.370 61.833 62.300 -0.163 0.000 0.976 799 V CB 0.778 32.515 31.823 -0.144 0.000 0.993 799 V HN 0.468 nan 8.190 nan 0.000 0.475 800 Q N 6.062 125.763 119.800 -0.165 0.000 2.214 800 Q HA 0.344 4.684 4.340 0.001 0.000 0.251 800 Q C -1.709 174.251 176.000 -0.066 0.000 0.936 800 Q CA -2.349 53.383 55.803 -0.117 0.000 0.894 800 Q CB 1.152 29.778 28.738 -0.186 0.000 1.252 800 Q HN 0.304 nan 8.270 nan 0.000 0.448 801 P HA -0.186 nan 4.420 nan 0.000 0.216 801 P C 1.247 178.544 177.300 -0.004 0.000 1.150 801 P CA 1.835 64.939 63.100 0.007 0.000 0.837 801 P CB 0.194 31.928 31.700 0.058 0.000 0.786 802 S N -0.210 115.486 115.700 -0.006 0.000 2.440 802 S HA -0.216 4.254 4.470 0.001 0.000 0.238 802 S C 1.657 176.225 174.600 -0.053 0.000 1.010 802 S CA 1.234 59.397 58.200 -0.062 0.000 0.972 802 S CB -1.186 61.977 63.200 -0.063 0.000 0.774 802 S HN 0.320 nan 8.310 nan 0.000 0.501 803 E N 0.097 120.273 120.200 -0.039 0.000 2.427 803 E HA 0.091 4.441 4.350 0.001 0.000 0.196 803 E C 1.039 177.705 176.600 0.109 0.000 1.028 803 E CA 0.288 56.686 56.400 -0.002 0.000 0.864 803 E CB -0.011 29.653 29.700 -0.061 0.000 0.813 803 E HN 0.401 nan 8.360 nan 0.000 0.514 804 L N -0.213 121.072 121.223 0.104 0.000 2.445 804 L HA 0.099 4.439 4.340 0.001 0.000 0.207 804 L C 0.773 177.813 176.870 0.283 0.000 1.053 804 L CA 0.400 55.380 54.840 0.233 0.000 0.841 804 L CB -0.295 41.802 42.059 0.063 0.000 1.074 804 L HN -0.146 nan 8.230 nan 0.000 0.479 805 V N 1.266 121.241 119.914 0.100 0.000 2.788 805 V HA 0.293 4.413 4.120 0.001 0.000 0.307 805 V C 1.542 177.642 176.094 0.010 0.000 1.069 805 V CA 1.122 63.443 62.300 0.034 0.000 1.173 805 V CB 0.041 31.831 31.823 -0.055 0.000 0.925 805 V HN 0.750 nan 8.190 nan 0.000 0.492 806 G N 3.683 112.478 108.800 -0.007 0.000 2.168 806 G HA2 -0.291 3.670 3.960 0.001 0.000 0.263 806 G HA3 -0.291 3.670 3.960 0.001 0.000 0.263 806 G C 0.520 175.357 174.900 -0.106 0.000 0.977 806 G CA 0.536 45.606 45.100 -0.048 0.000 0.659 806 G HN 1.516 nan 8.290 nan 0.000 0.533 807 S N -2.585 113.051 115.700 -0.107 0.000 3.587 807 S HA -0.348 4.122 4.470 0.001 0.000 0.337 807 S C 2.100 176.390 174.600 -0.516 0.000 1.119 807 S CA 1.555 59.452 58.200 -0.506 0.000 0.976 807 S CB -2.097 60.788 63.200 -0.526 0.000 0.922 807 S HN 2.205 nan 8.310 nan 0.000 0.503 808 V N -1.237 118.580 119.914 -0.162 0.000 2.688 808 V HA -0.169 3.952 4.120 0.001 0.000 0.256 808 V C 1.872 177.933 176.094 -0.056 0.000 1.084 808 V CA 2.027 64.268 62.300 -0.099 0.000 1.103 808 V CB -1.285 30.523 31.823 -0.024 0.000 0.688 808 V HN 0.902 nan 8.190 nan 0.000 0.480 809 W N 2.175 123.449 121.300 -0.044 0.000 2.825 809 W HA 0.131 4.791 4.660 0.001 0.000 0.243 809 W C 1.805 178.304 176.519 -0.033 0.000 1.293 809 W CA 1.017 58.336 57.345 -0.043 0.000 1.403 809 W CB -1.151 28.282 29.460 -0.045 0.000 1.134 809 W HN 0.319 nan 8.180 nan 0.000 0.666 810 T N -2.821 111.358 114.554 -0.625 0.000 3.069 810 T HA 0.235 4.586 4.350 0.001 0.000 0.252 810 T C 0.734 175.284 174.700 -0.249 0.000 1.053 810 T CA -0.332 61.486 62.100 -0.471 0.000 0.964 810 T CB -0.059 68.421 68.868 -0.646 0.000 1.005 810 T HN -0.194 nan 8.240 nan 0.000 0.532 811 K N 1.610 121.891 120.400 -0.199 0.000 2.132 811 K HA 0.406 4.727 4.320 0.001 0.000 0.241 811 K C 1.123 177.678 176.600 -0.074 0.000 1.000 811 K CA -0.676 55.535 56.287 -0.126 0.000 0.911 811 K CB 0.941 33.370 32.500 -0.119 0.000 1.093 811 K HN 0.134 nan 8.250 nan 0.000 0.460 812 E N 0.678 120.844 120.200 -0.058 0.000 2.171 812 E HA -0.205 4.145 4.350 0.001 0.000 0.197 812 E C -0.041 176.542 176.600 -0.028 0.000 0.997 812 E CA 1.355 57.732 56.400 -0.037 0.000 0.810 812 E CB 0.142 29.822 29.700 -0.032 0.000 0.738 812 E HN 0.377 nan 8.360 nan 0.000 0.467 813 D N -0.022 120.358 120.400 -0.033 0.000 2.358 813 D HA -0.022 4.619 4.640 0.001 0.000 0.224 813 D C 1.413 177.702 176.300 -0.017 0.000 1.123 813 D CA 0.151 54.137 54.000 -0.024 0.000 0.833 813 D CB 0.121 40.904 40.800 -0.029 0.000 0.946 813 D HN 0.271 nan 8.370 nan 0.000 0.505 814 K N 0.757 121.150 120.400 -0.012 0.000 2.113 814 K HA -0.175 4.145 4.320 0.001 0.000 0.208 814 K C 1.212 177.824 176.600 0.019 0.000 1.047 814 K CA 1.039 57.335 56.287 0.015 0.000 0.928 814 K CB -0.026 32.494 32.500 0.034 0.000 0.716 814 K HN -0.001 nan 8.250 nan 0.000 0.446 815 E N 0.818 121.023 120.200 0.008 0.000 2.150 815 E HA -0.103 4.247 4.350 0.001 0.000 0.193 815 E C 2.111 178.710 176.600 -0.003 0.000 0.985 815 E CA 1.076 57.478 56.400 0.004 0.000 0.814 815 E CB -0.105 29.596 29.700 0.002 0.000 0.752 815 E HN 0.523 nan 8.360 nan 0.000 0.466 816 I N 1.235 121.801 120.570 -0.006 0.000 2.400 816 I HA -0.149 4.021 4.170 0.001 0.000 0.248 816 I C 1.852 177.958 176.117 -0.018 0.000 1.109 816 I CA 0.558 61.851 61.300 -0.010 0.000 1.425 816 I CB -0.059 37.933 38.000 -0.012 0.000 1.094 816 I HN -0.036 nan 8.210 nan 0.000 0.425 817 N N 0.052 118.741 118.700 -0.017 0.000 2.415 817 N HA 0.021 4.761 4.740 0.001 0.000 0.176 817 N C 0.569 176.069 175.510 -0.017 0.000 1.042 817 N CA 0.704 53.739 53.050 -0.025 0.000 0.902 817 N CB 0.370 38.840 38.487 -0.028 0.000 0.986 817 N HN 0.112 nan 8.380 nan 0.000 0.447 818 S N 0.923 116.625 115.700 0.004 0.000 2.740 818 S HA 0.195 4.666 4.470 0.001 0.000 0.244 818 S C -1.764 172.819 174.600 -0.029 0.000 1.101 818 S CA -0.845 57.357 58.200 0.002 0.000 1.123 818 S CB 1.414 64.669 63.200 0.092 0.000 1.012 818 S HN 0.196 nan 8.310 nan 0.000 0.491 819 P HA -0.148 nan 4.420 nan 0.000 0.215 819 P C 0.875 178.139 177.300 -0.062 0.000 1.153 819 P CA 1.384 64.460 63.100 -0.041 0.000 0.853 819 P CB 0.072 31.753 31.700 -0.032 0.000 0.788 820 N N -0.144 118.501 118.700 -0.092 0.000 2.188 820 N HA -0.097 4.644 4.740 0.001 0.000 0.184 820 N C 1.969 177.395 175.510 -0.140 0.000 1.018 820 N CA 0.632 53.619 53.050 -0.104 0.000 0.858 820 N CB -0.996 37.415 38.487 -0.128 0.000 0.989 820 N HN 0.129 nan 8.380 nan 0.000 0.426 821 L N 1.459 122.579 121.223 -0.172 0.000 2.017 821 L HA -0.031 4.309 4.340 0.001 0.000 0.208 821 L C 2.052 178.788 176.870 -0.222 0.000 1.073 821 L CA 1.302 55.977 54.840 -0.274 0.000 0.745 821 L CB -0.538 41.347 42.059 -0.290 0.000 0.894 821 L HN 0.063 nan 8.230 nan 0.000 0.432 822 L N -0.870 120.282 121.223 -0.119 0.000 2.141 822 L HA -0.193 4.147 4.340 0.001 0.000 0.209 822 L C 2.578 179.413 176.870 -0.058 0.000 1.094 822 L CA 1.190 55.988 54.840 -0.070 0.000 0.763 822 L CB -0.612 41.434 42.059 -0.021 0.000 0.908 822 L HN 0.256 nan 8.230 nan 0.000 0.437 823 K N -0.083 120.284 120.400 -0.056 0.000 2.057 823 K HA -0.223 4.097 4.320 0.001 0.000 0.207 823 K C 2.164 178.754 176.600 -0.017 0.000 1.049 823 K CA 1.704 57.974 56.287 -0.028 0.000 0.931 823 K CB -0.171 32.313 32.500 -0.028 0.000 0.714 823 K HN 0.250 nan 8.250 nan 0.000 0.440 824 M N 0.994 120.553 119.600 -0.067 0.000 2.086 824 M HA -0.195 4.286 4.480 0.001 0.000 0.261 824 M C 1.927 178.216 176.300 -0.019 0.000 1.067 824 M CA 1.742 57.011 55.300 -0.052 0.000 1.116 824 M CB -0.117 32.391 32.600 -0.153 0.000 1.348 824 M HN 0.078 nan 8.290 nan 0.000 0.407 825 I N -0.138 120.374 120.570 -0.097 0.000 2.226 825 I HA -0.296 3.875 4.170 0.001 0.000 0.245 825 I C 2.478 178.594 176.117 -0.002 0.000 1.100 825 I CA 1.392 62.655 61.300 -0.062 0.000 1.374 825 I CB -0.481 37.461 38.000 -0.096 0.000 1.057 825 I HN 0.335 nan 8.210 nan 0.000 0.413 826 R N -0.393 120.109 120.500 0.003 0.000 2.120 826 R HA -0.219 4.121 4.340 0.001 0.000 0.234 826 R C 2.353 178.663 176.300 0.016 0.000 1.123 826 R CA 1.505 57.611 56.100 0.011 0.000 0.975 826 R CB -0.487 29.818 30.300 0.008 0.000 0.866 826 R HN 0.452 nan 8.270 nan 0.000 0.446 827 H N -0.077 118.978 119.070 -0.025 0.000 2.357 827 H HA -0.024 4.532 4.556 0.001 0.000 0.301 827 H C 1.649 176.974 175.328 -0.005 0.000 1.082 827 H CA 2.099 58.133 56.048 -0.024 0.000 1.342 827 H CB -0.070 29.676 29.762 -0.026 0.000 1.389 827 H HN -0.035 nan 8.280 nan 0.000 0.511 828 T N -0.514 113.992 114.554 -0.079 0.000 2.708 828 T HA -0.162 4.189 4.350 0.001 0.000 0.266 828 T C 1.920 176.586 174.700 -0.056 0.000 1.037 828 T CA 1.916 63.976 62.100 -0.066 0.000 1.146 828 T CB -0.527 68.383 68.868 0.071 0.000 0.865 828 T HN 0.479 nan 8.240 nan 0.000 0.435 829 T N 1.901 116.445 114.554 -0.016 0.000 2.708 829 T HA -0.099 4.251 4.350 0.001 0.000 0.266 829 T C 2.040 176.743 174.700 0.006 0.000 1.037 829 T CA 1.264 63.379 62.100 0.024 0.000 1.146 829 T CB -0.461 68.427 68.868 0.034 0.000 0.865 829 T HN 0.291 nan 8.240 nan 0.000 0.435 830 N N 0.647 119.308 118.700 -0.065 0.000 2.166 830 N HA -0.020 4.721 4.740 0.001 0.000 0.186 830 N C 1.529 176.990 175.510 -0.081 0.000 1.019 830 N CA 0.516 53.519 53.050 -0.078 0.000 0.856 830 N CB -0.330 38.081 38.487 -0.127 0.000 0.993 830 N HN 0.143 nan 8.380 nan 0.000 0.426 831 L N 0.053 121.158 121.223 -0.195 0.000 2.109 831 L HA 0.004 4.344 4.340 0.001 0.000 0.207 831 L C 1.836 178.663 176.870 -0.071 0.000 1.086 831 L CA 1.506 56.218 54.840 -0.213 0.000 0.760 831 L CB -0.875 40.978 42.059 -0.343 0.000 0.910 831 L HN 0.114 nan 8.230 nan 0.000 0.437 832 T N -0.343 114.264 114.554 0.090 0.000 2.777 832 T HA -0.141 4.209 4.350 0.001 0.000 0.266 832 T C 1.924 176.790 174.700 0.277 0.000 1.040 832 T CA 1.663 63.920 62.100 0.263 0.000 1.141 832 T CB -0.247 68.748 68.868 0.213 0.000 0.868 832 T HN 0.261 nan 8.240 nan 0.000 0.444 833 L N -0.910 120.454 121.223 0.235 0.000 2.093 833 L HA -0.020 4.321 4.340 0.001 0.000 0.208 833 L C 2.429 179.519 176.870 0.368 0.000 1.085 833 L CA 1.094 56.129 54.840 0.325 0.000 0.755 833 L CB -0.466 41.798 42.059 0.342 0.000 0.904 833 L HN 0.372 nan 8.230 nan 0.000 0.435 834 W N 0.802 122.139 121.300 0.062 0.000 2.358 834 W HA -0.223 4.437 4.660 0.000 0.000 0.303 834 W C 2.225 178.824 176.519 0.132 0.000 1.208 834 W CA 1.301 58.670 57.345 0.039 0.000 1.274 834 W CB -0.336 29.048 29.460 -0.126 0.000 1.138 834 W HN -0.012 nan 8.180 nan 0.000 0.515 835 F N 1.072 121.134 119.950 0.187 0.000 2.134 835 F HA -0.163 4.364 4.527 0.001 0.000 0.299 835 F C 2.351 178.140 175.800 -0.019 0.000 1.097 835 F CA 2.017 60.006 58.000 -0.018 0.000 1.264 835 F CB -1.308 37.763 39.000 0.118 0.000 1.001 835 F HN -0.012 nan 8.300 nan 0.000 0.479 836 E N -0.012 120.350 120.200 0.271 0.000 2.077 836 E HA -0.245 4.106 4.350 0.001 0.000 0.193 836 E C 2.209 178.867 176.600 0.096 0.000 0.989 836 E CA 1.278 57.780 56.400 0.169 0.000 0.800 836 E CB -0.215 29.592 29.700 0.179 0.000 0.746 836 E HN 0.324 nan 8.360 nan 0.000 0.452 837 K N 0.629 121.116 120.400 0.144 0.000 2.057 837 K HA -0.143 4.177 4.320 0.001 0.000 0.206 837 K C 2.172 178.796 176.600 0.039 0.000 1.050 837 K CA 1.374 57.747 56.287 0.143 0.000 0.935 837 K CB -0.133 32.571 32.500 0.340 0.000 0.715 837 K HN 0.154 nan 8.250 nan 0.000 0.439 838 C N 0.691 119.946 119.300 -0.075 0.000 2.413 838 C HA -0.086 4.374 4.460 0.001 0.000 0.277 838 C C 2.480 177.449 174.990 -0.037 0.000 1.265 838 C CA 0.530 59.478 59.018 -0.116 0.000 1.752 838 C CB -0.726 26.815 27.740 -0.331 0.000 1.998 838 C HN 0.486 nan 8.230 nan 0.000 0.489 839 I N 1.312 121.861 120.570 -0.035 0.000 2.162 839 I HA -0.144 4.026 4.170 0.001 0.000 0.238 839 I C 2.511 178.579 176.117 -0.080 0.000 1.076 839 I CA 1.861 63.132 61.300 -0.049 0.000 1.353 839 I CB -0.655 37.322 38.000 -0.038 0.000 1.063 839 I HN 0.293 nan 8.210 nan 0.000 0.408 840 V N -1.654 118.206 119.914 -0.090 0.000 2.970 840 V HA -0.115 4.006 4.120 0.001 0.000 0.260 840 V C 1.716 177.704 176.094 -0.177 0.000 1.100 840 V CA 1.456 63.662 62.300 -0.157 0.000 1.122 840 V CB -0.776 30.930 31.823 -0.196 0.000 0.721 840 V HN 0.421 nan 8.190 nan 0.000 0.483 841 E N 0.479 120.619 120.200 -0.101 0.000 2.489 841 E HA 0.066 4.416 4.350 0.001 0.000 0.193 841 E C 0.270 176.806 176.600 -0.106 0.000 1.057 841 E CA 0.406 56.761 56.400 -0.074 0.000 0.866 841 E CB 0.155 29.878 29.700 0.039 0.000 0.916 841 E HN 0.570 nan 8.360 nan 0.000 0.500 842 T N 1.562 116.050 114.554 -0.110 0.000 3.151 842 T HA 0.117 4.467 4.350 0.001 0.000 0.332 842 T C 0.707 175.285 174.700 -0.202 0.000 1.245 842 T CA -0.126 61.903 62.100 -0.119 0.000 1.019 842 T CB 0.634 69.505 68.868 0.006 0.000 1.109 842 T HN 0.105 nan 8.240 nan 0.000 0.621 843 E N 1.875 121.896 120.200 -0.297 0.000 2.110 843 E HA -0.090 4.260 4.350 0.001 0.000 0.193 843 E C 1.245 177.632 176.600 -0.355 0.000 0.988 843 E CA 0.406 56.479 56.400 -0.545 0.000 0.804 843 E CB 0.141 29.379 29.700 -0.771 0.000 0.745 843 E HN 0.493 nan 8.360 nan 0.000 0.458 844 N N 1.621 120.247 118.700 -0.123 0.000 2.447 844 N HA -0.088 4.653 4.740 0.001 0.000 0.263 844 N C 0.948 176.446 175.510 -0.021 0.000 1.226 844 N CA -0.139 52.915 53.050 0.007 0.000 0.906 844 N CB 1.114 39.602 38.487 0.002 0.000 1.060 844 N HN 0.014 nan 8.380 nan 0.000 0.468 845 L N 5.171 126.400 121.223 0.011 0.000 1.990 845 L HA -0.176 4.164 4.340 0.001 0.000 0.213 845 L C 2.276 179.132 176.870 -0.023 0.000 1.072 845 L CA 1.985 56.815 54.840 -0.018 0.000 0.755 845 L CB -0.865 41.191 42.059 -0.004 0.000 0.889 845 L HN 0.770 nan 8.230 nan 0.000 0.432 846 E N -0.694 119.502 120.200 -0.006 0.000 2.085 846 E HA -0.268 4.083 4.350 0.001 0.000 0.194 846 E C 1.976 178.579 176.600 0.005 0.000 0.994 846 E CA 1.726 58.123 56.400 -0.004 0.000 0.801 846 E CB -0.142 29.560 29.700 0.003 0.000 0.743 846 E HN 0.700 nan 8.360 nan 0.000 0.453 847 E N 0.032 120.249 120.200 0.028 0.000 2.106 847 E HA -0.198 4.152 4.350 0.001 0.000 0.192 847 E C 2.279 178.915 176.600 0.060 0.000 0.984 847 E CA 0.702 57.154 56.400 0.086 0.000 0.806 847 E CB -0.149 29.645 29.700 0.156 0.000 0.750 847 E HN 0.159 nan 8.360 nan 0.000 0.458 848 R N 0.989 121.490 120.500 0.001 0.000 2.096 848 R HA -0.130 4.211 4.340 0.001 0.000 0.235 848 R C 2.243 178.490 176.300 -0.088 0.000 1.127 848 R CA 0.933 57.005 56.100 -0.048 0.000 0.968 848 R CB -0.116 30.124 30.300 -0.100 0.000 0.861 848 R HN 0.002 nan 8.270 nan 0.000 0.440 849 V N 0.901 120.764 119.914 -0.085 0.000 2.343 849 V HA -0.237 3.884 4.120 0.001 0.000 0.247 849 V C 2.409 178.454 176.094 -0.083 0.000 1.051 849 V CA 1.957 64.192 62.300 -0.107 0.000 1.036 849 V CB -0.629 31.149 31.823 -0.075 0.000 0.654 849 V HN 0.568 nan 8.190 nan 0.000 0.451 850 A N -0.535 122.257 122.820 -0.047 0.000 1.969 850 A HA -0.134 4.187 4.320 0.001 0.000 0.218 850 A C 2.365 179.914 177.584 -0.059 0.000 1.169 850 A CA 1.906 53.918 52.037 -0.042 0.000 0.635 850 A CB -0.520 18.470 19.000 -0.017 0.000 0.810 850 A HN 0.348 nan 8.150 nan 0.000 0.445 851 V N -0.599 119.284 119.914 -0.052 0.000 2.307 851 V HA -0.198 3.923 4.120 0.001 0.000 0.245 851 V C 2.566 178.605 176.094 -0.091 0.000 1.045 851 V CA 1.870 64.134 62.300 -0.061 0.000 1.024 851 V CB -0.677 31.130 31.823 -0.026 0.000 0.651 851 V HN 0.359 nan 8.190 nan 0.000 0.449 852 V N -0.440 119.403 119.914 -0.119 0.000 2.343 852 V HA -0.272 3.848 4.120 0.001 0.000 0.247 852 V C 2.683 178.713 176.094 -0.108 0.000 1.051 852 V CA 2.420 64.636 62.300 -0.141 0.000 1.036 852 V CB -0.645 31.025 31.823 -0.254 0.000 0.654 852 V HN 0.599 nan 8.190 nan 0.000 0.451 853 S N -0.597 115.044 115.700 -0.098 0.000 2.370 853 S HA -0.266 4.205 4.470 0.001 0.000 0.226 853 S C 2.174 176.719 174.600 -0.091 0.000 1.033 853 S CA 1.998 60.150 58.200 -0.079 0.000 1.011 853 S CB -0.261 62.898 63.200 -0.070 0.000 0.852 853 S HN 0.492 nan 8.310 nan 0.000 0.457 854 R N 1.044 121.487 120.500 -0.096 0.000 2.081 854 R HA 0.120 4.461 4.340 0.001 0.000 0.235 854 R C 2.076 178.302 176.300 -0.125 0.000 1.131 854 R CA 1.691 57.729 56.100 -0.103 0.000 0.960 854 R CB -0.755 29.495 30.300 -0.084 0.000 0.856 854 R HN 0.550 nan 8.270 nan 0.000 0.436 855 I N -0.140 120.338 120.570 -0.152 0.000 2.226 855 I HA -0.264 3.906 4.170 0.001 0.000 0.245 855 I C 2.005 177.978 176.117 -0.239 0.000 1.100 855 I CA 1.286 62.424 61.300 -0.270 0.000 1.374 855 I CB -0.244 37.527 38.000 -0.381 0.000 1.057 855 I HN 0.155 nan 8.210 nan 0.000 0.413 856 I N 0.498 120.978 120.570 -0.151 0.000 2.394 856 I HA -0.245 3.926 4.170 0.001 0.000 0.251 856 I C 2.354 178.399 176.117 -0.120 0.000 1.136 856 I CA 1.344 62.577 61.300 -0.111 0.000 1.425 856 I CB -0.337 37.627 38.000 -0.059 0.000 1.079 856 I HN 0.254 nan 8.210 nan 0.000 0.425 857 E N 0.870 120.994 120.200 -0.127 0.000 2.106 857 E HA -0.169 4.181 4.350 0.001 0.000 0.192 857 E C 2.294 178.787 176.600 -0.178 0.000 0.984 857 E CA 1.060 57.383 56.400 -0.129 0.000 0.806 857 E CB 0.004 29.632 29.700 -0.120 0.000 0.750 857 E HN 0.492 nan 8.360 nan 0.000 0.458 858 I N 0.904 121.336 120.570 -0.230 0.000 2.286 858 I HA -0.251 3.919 4.170 0.001 0.000 0.248 858 I C 2.425 178.243 176.117 -0.499 0.000 1.115 858 I CA 0.443 61.511 61.300 -0.388 0.000 1.392 858 I CB -0.129 37.656 38.000 -0.357 0.000 1.065 858 I HN 0.161 nan 8.210 nan 0.000 0.418 859 L N 0.763 121.834 121.223 -0.253 0.000 2.042 859 L HA -0.280 4.061 4.340 0.001 0.000 0.210 859 L C 2.488 179.341 176.870 -0.029 0.000 1.076 859 L CA 1.948 56.765 54.840 -0.038 0.000 0.749 859 L CB -0.891 41.153 42.059 -0.025 0.000 0.893 859 L HN 0.267 nan 8.230 nan 0.000 0.432 860 Q N -1.070 118.678 119.800 -0.086 0.000 2.135 860 Q HA -0.180 4.161 4.340 0.001 0.000 0.204 860 Q C 2.031 177.993 176.000 -0.064 0.000 0.981 860 Q CA 2.345 58.109 55.803 -0.064 0.000 0.856 860 Q CB -0.049 28.644 28.738 -0.074 0.000 0.902 860 Q HN 0.511 nan 8.270 nan 0.000 0.425 861 V N 0.274 120.112 119.914 -0.127 0.000 2.453 861 V HA -0.192 3.928 4.120 0.001 0.000 0.247 861 V C 1.900 177.977 176.094 -0.028 0.000 1.048 861 V CA 1.215 63.445 62.300 -0.117 0.000 1.049 861 V CB -0.635 31.073 31.823 -0.191 0.000 0.672 861 V HN 0.332 nan 8.190 nan 0.000 0.457 862 F N 0.591 120.493 119.950 -0.080 0.000 2.126 862 F HA -0.208 4.319 4.527 0.001 0.000 0.299 862 F C 2.579 178.291 175.800 -0.146 0.000 1.096 862 F CA 1.683 59.622 58.000 -0.101 0.000 1.255 862 F CB -0.924 38.034 39.000 -0.069 0.000 0.997 862 F HN 0.179 nan 8.300 nan 0.000 0.479 863 Q N 0.052 119.898 119.800 0.078 0.000 2.084 863 Q HA -0.206 4.134 4.340 0.001 0.000 0.202 863 Q C 2.035 177.999 176.000 -0.061 0.000 0.978 863 Q CA 1.698 57.478 55.803 -0.039 0.000 0.844 863 Q CB -0.084 28.654 28.738 0.000 0.000 0.898 863 Q HN 0.474 nan 8.270 nan 0.000 0.426 864 E N -0.032 120.154 120.200 -0.023 0.000 2.150 864 E HA -0.146 4.204 4.350 0.001 0.000 0.193 864 E C 1.606 178.201 176.600 -0.008 0.000 0.985 864 E CA 0.752 57.140 56.400 -0.020 0.000 0.814 864 E CB 0.083 29.770 29.700 -0.020 0.000 0.752 864 E HN 0.367 nan 8.360 nan 0.000 0.466 865 L N 0.673 121.902 121.223 0.009 0.000 2.591 865 L HA 0.078 4.418 4.340 0.001 0.000 0.228 865 L C 0.034 176.936 176.870 0.054 0.000 1.133 865 L CA -0.188 54.699 54.840 0.078 0.000 0.880 865 L CB -0.122 41.984 42.059 0.078 0.000 1.033 865 L HN 0.095 nan 8.230 nan 0.000 0.450 866 N N 0.821 119.427 118.700 -0.157 0.000 2.747 866 N HA -0.214 4.527 4.740 0.001 0.000 0.249 866 N C 0.049 175.247 175.510 -0.521 0.000 1.107 866 N CA 0.628 53.398 53.050 -0.466 0.000 0.707 866 N CB -1.532 36.841 38.487 -0.190 0.000 1.054 866 N HN 0.323 nan 8.380 nan 0.000 0.555 867 N N 0.681 119.173 118.700 -0.347 0.000 2.868 867 N HA 0.187 4.928 4.740 0.001 0.000 0.252 867 N C 0.706 176.019 175.510 -0.327 0.000 1.130 867 N CA -0.352 52.541 53.050 -0.261 0.000 1.026 867 N CB -0.366 37.972 38.487 -0.248 0.000 1.335 867 N HN 0.065 nan 8.380 nan 0.000 0.516 868 F N 1.461 121.430 119.950 0.031 0.000 2.171 868 F HA -0.079 4.449 4.527 0.001 0.000 0.300 868 F C 2.181 177.983 175.800 0.003 0.000 1.090 868 F CA 0.743 58.788 58.000 0.075 0.000 1.293 868 F CB -0.538 38.641 39.000 0.297 0.000 1.013 868 F HN 0.440 nan 8.300 nan 0.000 0.486 869 N N 0.384 119.194 118.700 0.184 0.000 2.120 869 N HA -0.124 4.616 4.740 0.001 0.000 0.188 869 N C 2.188 177.656 175.510 -0.070 0.000 1.024 869 N CA 1.630 54.775 53.050 0.158 0.000 0.852 869 N CB -0.680 37.901 38.487 0.158 0.000 1.003 869 N HN 0.195 nan 8.380 nan 0.000 0.424 870 G N 0.018 108.577 108.800 -0.403 0.000 2.421 870 G HA2 -0.199 3.761 3.960 0.001 0.000 0.216 870 G HA3 -0.199 3.761 3.960 0.001 0.000 0.216 870 G C 1.596 176.237 174.900 -0.431 0.000 1.171 870 G CA 1.091 45.613 45.100 -0.963 0.000 0.775 870 G HN 0.242 nan 8.290 nan 0.000 0.543 871 V N 1.318 121.108 119.914 -0.206 0.000 2.252 871 V HA -0.149 3.972 4.120 0.001 0.000 0.249 871 V C 2.690 178.813 176.094 0.048 0.000 1.056 871 V CA 1.370 63.703 62.300 0.056 0.000 1.022 871 V CB -0.392 31.477 31.823 0.077 0.000 0.641 871 V HN 0.298 nan 8.190 nan 0.000 0.445 872 L N -0.281 120.926 121.223 -0.026 0.000 2.610 872 L HA -0.020 4.321 4.340 0.001 0.000 0.232 872 L C 2.252 179.147 176.870 0.042 0.000 1.149 872 L CA 1.088 55.887 54.840 -0.068 0.000 0.872 872 L CB -0.968 40.877 42.059 -0.356 0.000 0.992 872 L HN 0.530 nan 8.230 nan 0.000 0.447 873 E N -0.107 120.158 120.200 0.108 0.000 2.122 873 E HA -0.100 4.251 4.350 0.001 0.000 0.190 873 E C 2.287 179.062 176.600 0.291 0.000 0.977 873 E CA 0.568 57.094 56.400 0.211 0.000 0.820 873 E CB 0.228 30.085 29.700 0.262 0.000 0.770 873 E HN 0.220 nan 8.360 nan 0.000 0.462 874 V N 1.048 121.112 119.914 0.249 0.000 2.307 874 V HA -0.216 3.905 4.120 0.001 0.000 0.245 874 V C 2.339 178.517 176.094 0.139 0.000 1.045 874 V CA 1.227 63.598 62.300 0.118 0.000 1.024 874 V CB -0.286 31.552 31.823 0.025 0.000 0.651 874 V HN 0.119 nan 8.190 nan 0.000 0.449 875 V N 0.015 120.021 119.914 0.155 0.000 2.287 875 V HA -0.264 3.856 4.120 0.001 0.000 0.248 875 V C 2.575 178.733 176.094 0.106 0.000 1.053 875 V CA 2.435 64.866 62.300 0.219 0.000 1.027 875 V CB -0.761 31.196 31.823 0.224 0.000 0.646 875 V HN 0.568 nan 8.190 nan 0.000 0.447 876 S N 0.097 115.852 115.700 0.092 0.000 2.383 876 S HA -0.183 4.287 4.470 0.001 0.000 0.229 876 S C 2.180 176.847 174.600 0.111 0.000 1.030 876 S CA 1.410 59.656 58.200 0.076 0.000 1.002 876 S CB -0.475 62.787 63.200 0.104 0.000 0.829 876 S HN 0.669 nan 8.310 nan 0.000 0.467 877 A N 1.788 124.712 122.820 0.172 0.000 1.873 877 A HA -0.019 4.301 4.320 0.001 0.000 0.215 877 A C 2.057 179.746 177.584 0.175 0.000 1.186 877 A CA 1.302 53.462 52.037 0.204 0.000 0.616 877 A CB -0.483 18.690 19.000 0.289 0.000 0.823 877 A HN 0.364 nan 8.150 nan 0.000 0.442 878 M N 0.273 119.974 119.600 0.169 0.000 2.374 878 M HA -0.020 4.460 4.480 0.001 0.000 0.264 878 M C 0.847 177.217 176.300 0.116 0.000 1.067 878 M CA 0.865 56.282 55.300 0.196 0.000 1.103 878 M CB -1.239 31.509 32.600 0.247 0.000 1.402 878 M HN 0.388 nan 8.290 nan 0.000 0.444 879 N N 0.612 119.335 118.700 0.038 0.000 2.230 879 N HA 0.046 4.786 4.740 0.001 0.000 0.202 879 N C 0.140 175.647 175.510 -0.004 0.000 1.119 879 N CA 0.006 53.047 53.050 -0.016 0.000 0.851 879 N CB 0.710 39.082 38.487 -0.191 0.000 0.990 879 N HN 0.291 nan 8.380 nan 0.000 0.497 880 S N -0.770 114.979 115.700 0.080 0.000 2.603 880 S HA 0.220 4.690 4.470 0.001 0.000 0.268 880 S C 1.491 176.171 174.600 0.133 0.000 1.317 880 S CA -0.461 57.788 58.200 0.083 0.000 1.012 880 S CB 1.786 65.055 63.200 0.115 0.000 0.926 880 S HN -0.029 nan 8.310 nan 0.000 0.539 881 S N 2.530 118.300 115.700 0.118 0.000 2.365 881 S HA -0.037 4.433 4.470 0.001 0.000 0.225 881 S C -0.868 173.943 174.600 0.351 0.000 1.039 881 S CA 1.744 60.071 58.200 0.212 0.000 1.033 881 S CB -1.531 61.735 63.200 0.109 0.000 0.887 881 S HN 0.727 nan 8.310 nan 0.000 0.447 882 P HA 0.003 nan 4.420 nan 0.000 0.217 882 P C 1.333 178.695 177.300 0.103 0.000 1.150 882 P CA 0.778 63.978 63.100 0.167 0.000 0.832 882 P CB 0.000 31.749 31.700 0.080 0.000 0.787 883 V N -2.078 117.934 119.914 0.163 0.000 2.685 883 V HA -0.143 3.977 4.120 0.001 0.000 0.244 883 V C 2.226 178.500 176.094 0.300 0.000 1.054 883 V CA 0.810 63.230 62.300 0.200 0.000 1.076 883 V CB -1.330 30.623 31.823 0.216 0.000 0.725 883 V HN -0.028 nan 8.190 nan 0.000 0.467 884 Y N 2.852 123.224 120.300 0.120 0.000 2.241 884 Y HA -0.296 4.254 4.550 0.001 0.000 0.286 884 Y C 2.525 178.462 175.900 0.062 0.000 1.166 884 Y CA 2.228 60.348 58.100 0.033 0.000 1.203 884 Y CB -0.089 38.359 38.460 -0.021 0.000 0.977 884 Y HN 0.339 nan 8.280 nan 0.000 0.529 885 R N 0.101 120.681 120.500 0.134 0.000 2.310 885 R HA 0.129 4.470 4.340 0.001 0.000 0.202 885 R C 0.036 176.349 176.300 0.023 0.000 0.933 885 R CA 0.266 56.392 56.100 0.044 0.000 1.054 885 R CB -0.657 29.713 30.300 0.116 0.000 0.985 885 R HN 0.311 nan 8.270 nan 0.000 0.489 886 L N 2.749 124.030 121.223 0.095 0.000 2.437 886 L HA 0.102 4.443 4.340 0.001 0.000 0.243 886 L C 0.244 177.179 176.870 0.108 0.000 1.346 886 L CA -0.365 54.519 54.840 0.074 0.000 1.233 886 L CB 0.228 42.294 42.059 0.012 0.000 1.436 886 L HN 0.110 nan 8.230 nan 0.000 0.416 887 D N -0.305 120.096 120.400 0.001 0.000 2.149 887 D HA -0.215 4.425 4.640 0.001 0.000 0.198 887 D C 1.833 178.072 176.300 -0.102 0.000 0.990 887 D CA 1.514 55.472 54.000 -0.071 0.000 0.839 887 D CB 0.089 40.761 40.800 -0.214 0.000 0.948 887 D HN 0.513 nan 8.370 nan 0.000 0.460 888 H N 0.315 119.386 119.070 0.002 0.000 2.421 888 H HA -0.026 4.530 4.556 0.000 0.000 0.298 888 H C 2.046 177.343 175.328 -0.052 0.000 1.087 888 H CA 1.269 57.306 56.048 -0.018 0.000 1.330 888 H CB -0.118 29.631 29.762 -0.022 0.000 1.388 888 H HN 0.139 nan 8.280 nan 0.000 0.526 889 T N 0.715 115.265 114.554 -0.007 0.000 2.732 889 T HA -0.080 4.270 4.350 0.001 0.000 0.261 889 T C 1.795 176.348 174.700 -0.245 0.000 1.040 889 T CA 0.782 62.772 62.100 -0.183 0.000 1.145 889 T CB -0.411 68.234 68.868 -0.372 0.000 0.866 889 T HN 0.133 nan 8.240 nan 0.000 0.427 890 F N 1.758 121.681 119.950 -0.044 0.000 2.333 890 F HA 0.034 4.561 4.527 0.000 0.000 0.300 890 F C 2.362 178.134 175.800 -0.047 0.000 1.083 890 F CA 0.542 58.510 58.000 -0.053 0.000 1.395 890 F CB -0.526 38.425 39.000 -0.081 0.000 1.056 890 F HN 0.244 nan 8.300 nan 0.000 0.529 891 E N -0.327 119.925 120.200 0.086 0.000 2.153 891 E HA -0.215 4.136 4.350 0.001 0.000 0.194 891 E C 1.832 178.450 176.600 0.030 0.000 0.988 891 E CA 0.953 57.379 56.400 0.044 0.000 0.811 891 E CB -0.173 29.540 29.700 0.021 0.000 0.746 891 E HN 0.532 nan 8.360 nan 0.000 0.466 892 Q N -0.080 119.727 119.800 0.011 0.000 2.403 892 Q HA 0.047 4.387 4.340 0.001 0.000 0.203 892 Q C -0.021 175.973 176.000 -0.010 0.000 0.932 892 Q CA -0.109 55.692 55.803 -0.003 0.000 0.945 892 Q CB 0.586 29.316 28.738 -0.013 0.000 1.045 892 Q HN 0.164 nan 8.270 nan 0.000 0.511 893 I N 3.737 124.307 120.570 0.001 0.000 2.496 893 I HA 0.091 4.261 4.170 0.001 0.000 0.285 893 I C -1.935 174.192 176.117 0.016 0.000 1.080 893 I CA -2.339 58.965 61.300 0.006 0.000 1.404 893 I CB 0.201 38.234 38.000 0.055 0.000 1.403 893 I HN -0.062 nan 8.210 nan 0.000 0.539 894 P HA 0.018 nan 4.420 nan 0.000 0.266 894 P C 0.891 178.194 177.300 0.004 0.000 1.195 894 P CA -0.029 63.071 63.100 -0.001 0.000 0.768 894 P CB 0.436 32.130 31.700 -0.010 0.000 0.838 895 S N 4.343 120.044 115.700 0.002 0.000 2.380 895 S HA -0.290 4.180 4.470 0.001 0.000 0.229 895 S C 1.818 176.415 174.600 -0.006 0.000 1.043 895 S CA 1.517 59.717 58.200 -0.000 0.000 1.038 895 S CB -0.962 62.236 63.200 -0.003 0.000 0.872 895 S HN 0.637 nan 8.310 nan 0.000 0.456 896 R N 1.352 121.846 120.500 -0.010 0.000 2.105 896 R HA -0.086 4.254 4.340 0.001 0.000 0.239 896 R C 2.364 178.652 176.300 -0.020 0.000 1.135 896 R CA 1.695 57.785 56.100 -0.016 0.000 0.967 896 R CB -0.647 29.643 30.300 -0.018 0.000 0.861 896 R HN 0.518 nan 8.270 nan 0.000 0.442 897 Q N 0.648 120.438 119.800 -0.016 0.000 2.187 897 Q HA -0.017 4.323 4.340 0.001 0.000 0.199 897 Q C 1.895 177.887 176.000 -0.012 0.000 0.957 897 Q CA 1.196 56.988 55.803 -0.018 0.000 0.857 897 Q CB 0.108 28.838 28.738 -0.013 0.000 0.929 897 Q HN 0.445 nan 8.270 nan 0.000 0.453 898 K N 0.986 121.389 120.400 0.004 0.000 2.097 898 K HA -0.161 4.159 4.320 0.001 0.000 0.206 898 K C 2.059 178.640 176.600 -0.031 0.000 1.049 898 K CA 1.003 57.293 56.287 0.006 0.000 0.933 898 K CB -0.038 32.471 32.500 0.016 0.000 0.717 898 K HN 0.028 nan 8.250 nan 0.000 0.442 899 K N 1.343 121.724 120.400 -0.031 0.000 2.057 899 K HA -0.095 4.225 4.320 0.001 0.000 0.206 899 K C 2.028 178.590 176.600 -0.063 0.000 1.050 899 K CA 0.982 57.246 56.287 -0.040 0.000 0.935 899 K CB -0.010 32.474 32.500 -0.027 0.000 0.715 899 K HN 0.036 nan 8.250 nan 0.000 0.439 900 I N 1.097 121.629 120.570 -0.064 0.000 2.163 900 I HA -0.295 3.876 4.170 0.001 0.000 0.243 900 I C 2.325 178.355 176.117 -0.145 0.000 1.085 900 I CA 0.690 61.943 61.300 -0.079 0.000 1.347 900 I CB -0.225 37.736 38.000 -0.064 0.000 1.044 900 I HN 0.235 nan 8.210 nan 0.000 0.408 901 L N 1.071 122.184 121.223 -0.183 0.000 2.046 901 L HA -0.230 4.110 4.340 0.001 0.000 0.208 901 L C 2.408 178.891 176.870 -0.646 0.000 1.077 901 L CA 1.999 56.600 54.840 -0.398 0.000 0.747 901 L CB -0.757 41.161 42.059 -0.234 0.000 0.896 901 L HN 0.182 nan 8.230 nan 0.000 0.432 902 E N -0.322 119.711 120.200 -0.280 0.000 2.077 902 E HA -0.211 4.140 4.350 0.001 0.000 0.193 902 E C 2.000 178.536 176.600 -0.107 0.000 0.989 902 E CA 1.449 57.774 56.400 -0.126 0.000 0.800 902 E CB -0.165 29.511 29.700 -0.040 0.000 0.746 902 E HN 0.510 nan 8.360 nan 0.000 0.452 903 E N 0.190 120.327 120.200 -0.105 0.000 2.072 903 E HA -0.132 4.218 4.350 0.001 0.000 0.191 903 E C 2.018 178.585 176.600 -0.055 0.000 0.985 903 E CA 1.139 57.506 56.400 -0.056 0.000 0.801 903 E CB -0.532 29.145 29.700 -0.038 0.000 0.750 903 E HN 0.386 nan 8.360 nan 0.000 0.452 904 A N 1.096 123.843 122.820 -0.122 0.000 1.902 904 A HA -0.200 4.121 4.320 0.001 0.000 0.217 904 A C 1.891 179.452 177.584 -0.039 0.000 1.181 904 A CA 1.668 53.655 52.037 -0.084 0.000 0.623 904 A CB -0.993 17.924 19.000 -0.138 0.000 0.818 904 A HN 0.368 nan 8.150 nan 0.000 0.443 905 H N -0.590 118.454 119.070 -0.045 0.000 2.387 905 H HA -0.090 4.467 4.556 0.001 0.000 0.299 905 H C 1.925 177.191 175.328 -0.103 0.000 1.090 905 H CA 1.185 57.184 56.048 -0.081 0.000 1.332 905 H CB -0.003 29.715 29.762 -0.073 0.000 1.386 905 H HN 0.596 nan 8.280 nan 0.000 0.516 906 E N 0.750 120.971 120.200 0.035 0.000 2.333 906 E HA -0.138 4.213 4.350 0.001 0.000 0.198 906 E C 1.888 178.469 176.600 -0.032 0.000 1.007 906 E CA 0.344 56.736 56.400 -0.012 0.000 0.845 906 E CB 0.039 29.735 29.700 -0.006 0.000 0.766 906 E HN 0.513 nan 8.360 nan 0.000 0.507 907 L N 0.650 121.866 121.223 -0.012 0.000 2.083 907 L HA -0.174 4.167 4.340 0.001 0.000 0.209 907 L C 2.578 179.400 176.870 -0.080 0.000 1.083 907 L CA 1.378 56.235 54.840 0.029 0.000 0.752 907 L CB -0.431 41.695 42.059 0.112 0.000 0.899 907 L HN 0.197 nan 8.230 nan 0.000 0.433 908 S N -1.842 113.677 115.700 -0.303 0.000 2.496 908 S HA 0.002 4.472 4.470 0.001 0.000 0.224 908 S C 0.747 174.963 174.600 -0.641 0.000 0.996 908 S CA -0.239 57.456 58.200 -0.841 0.000 0.927 908 S CB -0.239 62.457 63.200 -0.840 0.000 0.774 908 S HN 0.356 nan 8.310 nan 0.000 0.524 909 E N 1.600 121.608 120.200 -0.320 0.000 2.418 909 E HA 0.087 4.437 4.350 0.001 0.000 0.261 909 E C -0.307 176.180 176.600 -0.189 0.000 1.070 909 E CA 0.224 56.481 56.400 -0.237 0.000 0.931 909 E CB 0.134 29.751 29.700 -0.138 0.000 0.954 909 E HN 0.246 nan 8.360 nan 0.000 0.439 910 D N 1.854 122.134 120.400 -0.200 0.000 2.689 910 D HA -0.246 4.394 4.640 0.001 0.000 0.237 910 D C -0.901 175.395 176.300 -0.005 0.000 1.148 910 D CA 0.987 54.919 54.000 -0.113 0.000 0.656 910 D CB -1.395 39.400 40.800 -0.009 0.000 1.050 910 D HN 0.692 nan 8.370 nan 0.000 0.426 911 H N -1.266 117.798 119.070 -0.010 0.000 2.819 911 H HA -0.265 4.292 4.556 0.001 0.000 0.315 911 H C 0.472 175.943 175.328 0.238 0.000 1.242 911 H CA 1.186 57.298 56.048 0.108 0.000 1.157 911 H CB -2.078 27.746 29.762 0.103 0.000 1.451 911 H HN 0.561 nan 8.280 nan 0.000 0.430 912 Y N -2.000 118.345 120.300 0.075 0.000 4.177 912 Y HA -0.349 4.201 4.550 0.000 0.000 0.227 912 Y C 1.975 177.946 175.900 0.117 0.000 1.154 912 Y CA 1.594 59.757 58.100 0.104 0.000 1.887 912 Y CB -1.411 37.142 38.460 0.156 0.000 1.594 912 Y HN 0.488 nan 8.280 nan 0.000 0.668 913 K N 0.817 121.319 120.400 0.171 0.000 2.044 913 K HA -0.257 4.064 4.320 0.001 0.000 0.210 913 K C 1.808 178.454 176.600 0.077 0.000 1.049 913 K CA 2.188 58.541 56.287 0.111 0.000 0.927 913 K CB -0.106 32.437 32.500 0.073 0.000 0.713 913 K HN 0.504 nan 8.250 nan 0.000 0.443 914 K N -0.699 119.743 120.400 0.070 0.000 2.097 914 K HA -0.174 4.147 4.320 0.001 0.000 0.205 914 K C 2.127 178.755 176.600 0.047 0.000 1.050 914 K CA 1.355 57.668 56.287 0.045 0.000 0.938 914 K CB -0.281 32.242 32.500 0.037 0.000 0.718 914 K HN 0.242 nan 8.250 nan 0.000 0.442 915 Y N 1.849 122.145 120.300 -0.005 0.000 2.128 915 Y HA -0.209 4.341 4.550 0.001 0.000 0.284 915 Y C 1.673 177.476 175.900 -0.161 0.000 1.154 915 Y CA 1.409 59.468 58.100 -0.069 0.000 1.149 915 Y CB -0.358 38.151 38.460 0.082 0.000 0.976 915 Y HN -0.082 nan 8.280 nan 0.000 0.505 916 L N -0.122 120.971 121.223 -0.218 0.000 2.127 916 L HA -0.214 4.127 4.340 0.001 0.000 0.211 916 L C 2.639 179.336 176.870 -0.288 0.000 1.089 916 L CA 1.241 55.883 54.840 -0.331 0.000 0.757 916 L CB -0.812 41.203 42.059 -0.073 0.000 0.899 916 L HN 0.401 nan 8.230 nan 0.000 0.434 917 A N -0.397 122.316 122.820 -0.179 0.000 2.081 917 A HA -0.104 4.217 4.320 0.001 0.000 0.214 917 A C 2.203 179.707 177.584 -0.133 0.000 1.158 917 A CA 0.840 52.807 52.037 -0.117 0.000 0.724 917 A CB -0.106 18.863 19.000 -0.051 0.000 0.826 917 A HN 0.199 nan 8.150 nan 0.000 0.463 918 K N -0.488 119.800 120.400 -0.186 0.000 2.418 918 K HA 0.110 4.430 4.320 0.001 0.000 0.195 918 K C 1.391 177.863 176.600 -0.213 0.000 1.035 918 K CA 0.714 56.925 56.287 -0.127 0.000 1.003 918 K CB -0.209 32.266 32.500 -0.041 0.000 0.793 918 K HN 0.338 nan 8.250 nan 0.000 0.494 919 L N 0.167 121.112 121.223 -0.464 0.000 2.200 919 L HA 0.226 4.567 4.340 0.001 0.000 0.200 919 L C 1.577 178.272 176.870 -0.291 0.000 1.072 919 L CA 1.199 55.712 54.840 -0.545 0.000 0.787 919 L CB -0.256 41.241 42.059 -0.938 0.000 0.957 919 L HN -0.019 nan 8.230 nan 0.000 0.459 920 R N -0.311 120.066 120.500 -0.204 0.000 2.241 920 R HA -0.058 4.282 4.340 0.001 0.000 0.224 920 R C 2.040 178.344 176.300 0.006 0.000 1.101 920 R CA 1.177 57.258 56.100 -0.032 0.000 0.995 920 R CB -0.382 29.909 30.300 -0.014 0.000 0.870 920 R HN 0.651 nan 8.270 nan 0.000 0.463 921 S N 0.088 115.774 115.700 -0.022 0.000 2.497 921 S HA 0.062 4.533 4.470 0.001 0.000 0.218 921 S C 0.819 175.438 174.600 0.031 0.000 1.023 921 S CA -0.509 57.697 58.200 0.010 0.000 0.913 921 S CB -0.189 63.012 63.200 0.002 0.000 0.800 921 S HN 0.172 nan 8.310 nan 0.000 0.505 922 I N 1.244 121.837 120.570 0.039 0.000 2.886 922 I HA 0.555 4.725 4.170 0.001 0.000 0.299 922 I C -0.198 175.959 176.117 0.067 0.000 1.044 922 I CA -1.164 60.175 61.300 0.066 0.000 1.310 922 I CB -0.134 37.938 38.000 0.120 0.000 1.441 922 I HN 0.022 nan 8.210 nan 0.000 0.578 923 N N 3.762 122.496 118.700 0.057 0.000 2.444 923 N HA 0.498 5.238 4.740 0.001 0.000 0.262 923 N C -2.447 173.087 175.510 0.039 0.000 0.974 923 N CA -1.869 51.213 53.050 0.053 0.000 0.933 923 N CB 0.775 39.284 38.487 0.037 0.000 1.137 923 N HN 0.556 nan 8.380 nan 0.000 0.498 924 P HA 0.100 nan 4.420 nan 0.000 0.272 924 P C -2.534 174.731 177.300 -0.058 0.000 1.243 924 P CA -0.620 62.484 63.100 0.008 0.000 0.803 924 P CB -0.510 31.228 31.700 0.063 0.000 0.974 925 P HA 0.114 nan 4.420 nan 0.000 0.272 925 P C -0.520 176.582 177.300 -0.330 0.000 1.240 925 P CA 0.011 62.907 63.100 -0.339 0.000 0.791 925 P CB 0.439 31.723 31.700 -0.694 0.000 0.978 926 C N -2.183 116.991 119.300 -0.210 0.000 3.289 926 C HA 0.437 4.897 4.460 0.001 0.000 0.354 926 C C -0.838 174.233 174.990 0.135 0.000 1.201 926 C CA -0.773 58.278 59.018 0.055 0.000 1.199 926 C CB 0.713 28.497 27.740 0.072 0.000 1.511 926 C HN 0.302 nan 8.230 nan 0.000 0.506 927 V N 2.925 122.940 119.914 0.170 0.000 2.239 927 V HA 0.385 4.505 4.120 0.001 0.000 0.267 927 V C -2.113 174.010 176.094 0.048 0.000 1.056 927 V CA -0.986 61.324 62.300 0.018 0.000 0.830 927 V CB 0.612 32.467 31.823 0.053 0.000 1.090 927 V HN 0.804 nan 8.190 nan 0.000 0.459 928 P HA 0.022 nan 4.420 nan 0.000 0.268 928 P C -0.205 177.267 177.300 0.286 0.000 1.208 928 P CA -0.196 63.051 63.100 0.246 0.000 0.777 928 P CB 0.424 32.121 31.700 -0.006 0.000 0.875 929 F N 2.488 122.617 119.950 0.299 0.000 2.553 929 F HA 0.125 4.652 4.527 0.001 0.000 0.356 929 F C 0.569 176.412 175.800 0.073 0.000 1.142 929 F CA -0.255 57.761 58.000 0.027 0.000 1.322 929 F CB 0.032 38.663 39.000 -0.614 0.000 1.126 929 F HN 0.252 nan 8.300 nan 0.000 0.599 930 F N 3.311 122.854 119.950 -0.679 0.000 2.653 930 F HA 0.297 4.825 4.527 0.001 0.000 0.304 930 F C 1.559 176.821 175.800 -0.897 0.000 1.092 930 F CA 0.452 58.167 58.000 -0.475 0.000 1.279 930 F CB 0.031 38.933 39.000 -0.164 0.000 1.044 930 F HN 0.579 nan 8.300 nan 0.000 0.564 931 G N 0.749 108.394 108.800 -1.925 0.000 2.499 931 G HA2 -0.155 3.805 3.960 0.001 0.000 0.213 931 G HA3 -0.155 3.805 3.960 0.001 0.000 0.213 931 G C 1.676 176.152 174.900 -0.707 0.000 1.230 931 G CA 0.571 44.956 45.100 -1.193 0.000 0.813 931 G HN 0.135 nan 8.290 nan 0.000 0.542 932 I N 0.656 120.708 120.570 -0.864 0.000 2.227 932 I HA -0.242 3.929 4.170 0.001 0.000 0.250 932 I C 2.536 178.362 176.117 -0.486 0.000 1.087 932 I CA 1.341 62.282 61.300 -0.598 0.000 1.352 932 I CB -1.019 36.619 38.000 -0.603 0.000 1.043 932 I HN 0.212 nan 8.210 nan 0.000 0.425 933 Y N 0.010 120.147 120.300 -0.272 0.000 2.286 933 Y HA -0.045 4.505 4.550 0.000 0.000 0.293 933 Y C 2.515 178.329 175.900 -0.143 0.000 1.124 933 Y CA 0.575 58.544 58.100 -0.217 0.000 1.178 933 Y CB -0.788 37.442 38.460 -0.382 0.000 1.010 933 Y HN 0.048 nan 8.280 nan 0.000 0.536 934 L N -1.039 120.173 121.223 -0.019 0.000 2.156 934 L HA -0.165 4.176 4.340 0.001 0.000 0.208 934 L C 2.160 179.101 176.870 0.119 0.000 1.095 934 L CA 1.448 56.269 54.840 -0.033 0.000 0.770 934 L CB -0.731 41.283 42.059 -0.075 0.000 0.914 934 L HN 0.213 nan 8.230 nan 0.000 0.439 935 T N -0.677 113.903 114.554 0.043 0.000 2.698 935 T HA -0.099 4.251 4.350 0.001 0.000 0.260 935 T C 1.721 176.477 174.700 0.093 0.000 1.044 935 T CA 1.188 63.337 62.100 0.081 0.000 1.149 935 T CB -0.210 68.681 68.868 0.039 0.000 0.864 935 T HN 0.282 nan 8.240 nan 0.000 0.419 936 N N 1.266 119.997 118.700 0.051 0.000 2.205 936 N HA -0.002 4.739 4.740 0.001 0.000 0.186 936 N C 1.919 177.490 175.510 0.102 0.000 1.015 936 N CA 0.913 53.997 53.050 0.058 0.000 0.862 936 N CB -0.335 38.172 38.487 0.033 0.000 0.986 936 N HN 0.399 nan 8.380 nan 0.000 0.429 937 I N 0.517 121.181 120.570 0.157 0.000 2.252 937 I HA -0.226 3.944 4.170 0.001 0.000 0.245 937 I C 2.254 178.537 176.117 0.277 0.000 1.102 937 I CA 0.543 61.984 61.300 0.236 0.000 1.385 937 I CB -0.133 38.057 38.000 0.318 0.000 1.064 937 I HN 0.042 nan 8.210 nan 0.000 0.414 938 L N 0.990 122.404 121.223 0.318 0.000 2.046 938 L HA -0.211 4.130 4.340 0.001 0.000 0.208 938 L C 2.407 179.325 176.870 0.079 0.000 1.077 938 L CA 1.930 56.883 54.840 0.188 0.000 0.747 938 L CB -0.546 41.642 42.059 0.216 0.000 0.896 938 L HN 0.060 nan 8.230 nan 0.000 0.432 939 K N -1.461 118.986 120.400 0.078 0.000 2.001 939 K HA -0.122 4.199 4.320 0.001 0.000 0.208 939 K C 1.914 178.529 176.600 0.025 0.000 1.048 939 K CA 1.902 58.212 56.287 0.040 0.000 0.932 939 K CB -0.381 32.139 32.500 0.034 0.000 0.715 939 K HN 0.351 nan 8.250 nan 0.000 0.437 940 T N 1.629 116.204 114.554 0.035 0.000 2.720 940 T HA -0.139 4.211 4.350 0.001 0.000 0.268 940 T C 1.593 176.297 174.700 0.007 0.000 1.037 940 T CA 1.265 63.376 62.100 0.018 0.000 1.144 940 T CB -0.125 68.757 68.868 0.024 0.000 0.864 940 T HN 0.235 nan 8.240 nan 0.000 0.444 941 E N 1.314 121.524 120.200 0.017 0.000 2.106 941 E HA -0.126 4.224 4.350 0.001 0.000 0.192 941 E C 2.130 178.712 176.600 -0.030 0.000 0.984 941 E CA 1.117 57.510 56.400 -0.012 0.000 0.806 941 E CB -0.162 29.522 29.700 -0.026 0.000 0.750 941 E HN 0.812 nan 8.360 nan 0.000 0.458 942 E N -0.469 119.717 120.200 -0.025 0.000 2.481 942 E HA 0.137 4.487 4.350 0.001 0.000 0.198 942 E C 1.381 177.968 176.600 -0.021 0.000 1.027 942 E CA 0.340 56.721 56.400 -0.031 0.000 0.900 942 E CB 0.391 30.069 29.700 -0.037 0.000 0.993 942 E HN 0.060 nan 8.360 nan 0.000 0.482 943 G N 0.685 109.476 108.800 -0.015 0.000 3.233 943 G HA2 0.089 4.049 3.960 0.001 0.000 0.234 943 G HA3 0.089 4.049 3.960 0.001 0.000 0.234 943 G C 0.006 174.896 174.900 -0.017 0.000 1.137 943 G CA -0.338 44.754 45.100 -0.013 0.000 0.763 943 G HN -0.003 nan 8.290 nan 0.000 0.549 944 N N 0.286 118.974 118.700 -0.020 0.000 2.225 944 N HA 0.340 5.080 4.740 0.001 0.000 0.298 944 N C -3.122 172.372 175.510 -0.027 0.000 1.076 944 N CA -1.022 52.014 53.050 -0.024 0.000 0.792 944 N CB 2.767 41.238 38.487 -0.027 0.000 1.498 944 N HN -0.237 nan 8.380 nan 0.000 0.474 945 P HA 0.020 nan 4.420 nan 0.000 0.269 945 P C 0.856 178.137 177.300 -0.031 0.000 1.215 945 P CA 0.215 63.298 63.100 -0.028 0.000 0.780 945 P CB 0.750 32.434 31.700 -0.027 0.000 0.898 946 E N 1.602 121.784 120.200 -0.030 0.000 2.285 946 E HA -0.000 4.350 4.350 0.001 0.000 0.194 946 E C 0.500 177.076 176.600 -0.040 0.000 0.997 946 E CA 0.452 56.834 56.400 -0.031 0.000 0.845 946 E CB 0.022 29.709 29.700 -0.021 0.000 0.782 946 E HN 0.220 nan 8.360 nan 0.000 0.491 947 V N -2.087 117.804 119.914 -0.037 0.000 3.103 947 V HA 0.666 4.786 4.120 0.001 0.000 0.311 947 V C -1.350 174.722 176.094 -0.036 0.000 1.322 947 V CA -1.309 60.966 62.300 -0.042 0.000 1.063 947 V CB 1.947 33.744 31.823 -0.042 0.000 1.090 947 V HN 0.102 nan 8.190 nan 0.000 0.462 948 L N 1.023 122.223 121.223 -0.038 0.000 2.493 948 L HA 0.592 4.932 4.340 0.001 0.000 0.265 948 L C -0.745 176.101 176.870 -0.039 0.000 0.954 948 L CA -0.800 54.019 54.840 -0.036 0.000 0.844 948 L CB 2.395 44.434 42.059 -0.034 0.000 1.302 948 L HN 0.603 nan 8.230 nan 0.000 0.405 949 K N 3.512 123.888 120.400 -0.040 0.000 2.174 949 K HA 0.557 4.878 4.320 0.001 0.000 0.275 949 K C -0.596 175.963 176.600 -0.069 0.000 1.015 949 K CA -0.613 55.648 56.287 -0.043 0.000 0.933 949 K CB 1.337 33.814 32.500 -0.038 0.000 1.025 949 K HN 0.392 nan 8.250 nan 0.000 0.463 950 R N 2.082 122.539 120.500 -0.072 0.000 2.772 950 R HA 0.129 4.469 4.340 0.001 0.000 0.288 950 R C -0.866 175.385 176.300 -0.081 0.000 1.365 950 R CA -0.461 55.546 56.100 -0.155 0.000 1.023 950 R CB 0.254 30.494 30.300 -0.100 0.000 1.261 950 R HN 0.752 nan 8.270 nan 0.000 0.422 951 H N 0.380 119.450 119.070 0.001 0.000 2.886 951 H HA -0.177 4.379 4.556 0.001 0.000 0.294 951 H C 0.809 176.137 175.328 -0.001 0.000 1.246 951 H CA 1.267 57.317 56.048 0.002 0.000 1.142 951 H CB -1.206 28.559 29.762 0.006 0.000 1.358 951 H HN 1.076 nan 8.280 nan 0.000 0.406 952 G N -0.097 108.741 108.800 0.063 0.000 2.198 952 G HA2 -0.275 3.686 3.960 0.001 0.000 0.257 952 G HA3 -0.275 3.686 3.960 0.001 0.000 0.257 952 G C -0.053 174.866 174.900 0.032 0.000 1.042 952 G CA 0.627 45.751 45.100 0.039 0.000 0.791 952 G HN 0.345 nan 8.290 nan 0.000 0.502 953 K N 0.111 120.527 120.400 0.027 0.000 2.427 953 K HA 0.498 4.818 4.320 0.001 0.000 0.252 953 K C -0.409 176.187 176.600 -0.006 0.000 0.931 953 K CA -0.756 55.541 56.287 0.016 0.000 0.793 953 K CB 2.104 34.623 32.500 0.031 0.000 1.211 953 K HN 0.444 nan 8.250 nan 0.000 0.426 954 E N 4.236 124.428 120.200 -0.013 0.000 2.151 954 E HA 0.364 4.714 4.350 0.001 0.000 0.275 954 E C -0.943 175.635 176.600 -0.037 0.000 0.936 954 E CA -0.628 55.757 56.400 -0.025 0.000 0.777 954 E CB 0.737 30.424 29.700 -0.021 0.000 1.108 954 E HN 0.201 nan 8.360 nan 0.000 0.401 955 L N 4.322 125.516 121.223 -0.049 0.000 2.388 955 L HA 0.422 4.762 4.340 0.001 0.000 0.264 955 L C -0.090 176.731 176.870 -0.082 0.000 0.998 955 L CA -1.097 53.701 54.840 -0.070 0.000 0.817 955 L CB 1.475 43.486 42.059 -0.079 0.000 1.338 955 L HN 0.662 nan 8.230 nan 0.000 0.414 956 I N 2.447 122.944 120.570 -0.121 0.000 2.598 956 I HA -0.027 4.144 4.170 0.001 0.000 0.284 956 I C 1.051 177.114 176.117 -0.090 0.000 1.140 956 I CA 0.098 61.305 61.300 -0.155 0.000 1.420 956 I CB -0.210 37.585 38.000 -0.342 0.000 1.387 956 I HN 0.571 nan 8.210 nan 0.000 0.553 957 N N 5.977 124.640 118.700 -0.063 0.000 2.543 957 N HA -0.099 4.641 4.740 0.001 0.000 0.289 957 N C 0.783 176.292 175.510 -0.001 0.000 1.223 957 N CA 0.118 53.152 53.050 -0.026 0.000 1.080 957 N CB -0.084 38.381 38.487 -0.036 0.000 1.450 957 N HN 0.484 nan 8.380 nan 0.000 0.501 958 F N 2.839 122.712 119.950 -0.130 0.000 2.186 958 F HA -0.123 4.405 4.527 0.001 0.000 0.299 958 F C 2.368 178.119 175.800 -0.083 0.000 1.090 958 F CA 1.212 59.137 58.000 -0.125 0.000 1.307 958 F CB -0.353 38.567 39.000 -0.134 0.000 1.019 958 F HN 0.468 nan 8.300 nan 0.000 0.489 959 S N -0.507 115.192 115.700 -0.003 0.000 2.571 959 S HA -0.201 4.269 4.470 0.001 0.000 0.245 959 S C 1.823 176.347 174.600 -0.126 0.000 0.976 959 S CA 1.044 59.202 58.200 -0.070 0.000 0.954 959 S CB -0.699 62.504 63.200 0.005 0.000 0.756 959 S HN 0.591 nan 8.310 nan 0.000 0.535 960 K N 1.167 121.475 120.400 -0.153 0.000 2.102 960 K HA 0.149 4.469 4.320 0.001 0.000 0.206 960 K C 2.176 178.670 176.600 -0.175 0.000 1.031 960 K CA 0.147 56.359 56.287 -0.124 0.000 0.962 960 K CB -0.098 32.352 32.500 -0.084 0.000 0.811 960 K HN 0.104 nan 8.250 nan 0.000 0.453 961 R N 1.129 121.475 120.500 -0.256 0.000 2.139 961 R HA -0.046 4.294 4.340 0.001 0.000 0.243 961 R C 2.277 178.383 176.300 -0.324 0.000 1.145 961 R CA 1.354 57.287 56.100 -0.278 0.000 0.976 961 R CB -0.378 29.718 30.300 -0.340 0.000 0.866 961 R HN 0.249 nan 8.270 nan 0.000 0.449 962 R N 0.521 120.756 120.500 -0.441 0.000 2.083 962 R HA -0.129 4.211 4.340 0.001 0.000 0.237 962 R C 1.847 178.050 176.300 -0.162 0.000 1.137 962 R CA 1.558 57.467 56.100 -0.318 0.000 0.951 962 R CB -0.293 29.843 30.300 -0.272 0.000 0.851 962 R HN 0.279 nan 8.270 nan 0.000 0.434 963 K N 0.344 120.667 120.400 -0.128 0.000 2.362 963 K HA -0.029 4.291 4.320 0.001 0.000 0.200 963 K C 1.912 178.486 176.600 -0.044 0.000 1.046 963 K CA 0.647 56.894 56.287 -0.066 0.000 0.952 963 K CB 0.205 32.676 32.500 -0.047 0.000 0.753 963 K HN 0.025 nan 8.250 nan 0.000 0.466 964 V N 0.430 120.307 119.914 -0.063 0.000 2.685 964 V HA -0.048 4.072 4.120 0.001 0.000 0.244 964 V C 2.121 178.195 176.094 -0.034 0.000 1.054 964 V CA 1.533 63.818 62.300 -0.024 0.000 1.076 964 V CB 0.057 31.872 31.823 -0.013 0.000 0.725 964 V HN 0.255 nan 8.190 nan 0.000 0.467 965 A N -0.415 122.364 122.820 -0.069 0.000 2.015 965 A HA -0.185 4.135 4.320 0.001 0.000 0.219 965 A C 2.246 179.804 177.584 -0.044 0.000 1.163 965 A CA 1.572 53.575 52.037 -0.057 0.000 0.646 965 A CB -0.350 18.602 19.000 -0.080 0.000 0.806 965 A HN 0.502 nan 8.150 nan 0.000 0.448 966 E N 0.347 120.521 120.200 -0.044 0.000 2.072 966 E HA -0.158 4.192 4.350 0.001 0.000 0.191 966 E C 1.870 178.458 176.600 -0.021 0.000 0.985 966 E CA 1.298 57.680 56.400 -0.029 0.000 0.801 966 E CB -0.192 29.495 29.700 -0.022 0.000 0.750 966 E HN 0.685 nan 8.360 nan 0.000 0.452 967 I N 1.044 121.609 120.570 -0.009 0.000 2.202 967 I HA -0.248 3.923 4.170 0.001 0.000 0.242 967 I C 2.745 178.819 176.117 -0.072 0.000 1.091 967 I CA 1.700 63.005 61.300 0.007 0.000 1.368 967 I CB -0.600 37.434 38.000 0.056 0.000 1.058 967 I HN 0.188 nan 8.210 nan 0.000 0.410 968 T N -1.219 113.291 114.554 -0.073 0.000 2.833 968 T HA -0.084 4.267 4.350 0.001 0.000 0.269 968 T C 1.974 176.604 174.700 -0.117 0.000 1.054 968 T CA 1.116 63.148 62.100 -0.113 0.000 1.135 968 T CB -1.060 67.771 68.868 -0.063 0.000 0.869 968 T HN 0.441 nan 8.240 nan 0.000 0.466 969 G N 1.074 109.826 108.800 -0.080 0.000 2.408 969 G HA2 -0.102 3.859 3.960 0.001 0.000 0.217 969 G HA3 -0.102 3.859 3.960 0.001 0.000 0.217 969 G C 1.517 176.350 174.900 -0.111 0.000 1.150 969 G CA 0.553 45.607 45.100 -0.077 0.000 0.776 969 G HN 0.598 nan 8.290 nan 0.000 0.542 970 E N -0.023 120.112 120.200 -0.109 0.000 2.047 970 E HA -0.062 4.288 4.350 0.001 0.000 0.191 970 E C 2.494 179.007 176.600 -0.144 0.000 0.987 970 E CA 0.540 56.869 56.400 -0.118 0.000 0.799 970 E CB -0.142 29.561 29.700 0.005 0.000 0.752 970 E HN 0.461 nan 8.360 nan 0.000 0.449 971 I N 1.343 121.758 120.570 -0.258 0.000 2.151 971 I HA -0.355 3.815 4.170 0.001 0.000 0.243 971 I C 2.525 178.602 176.117 -0.067 0.000 1.080 971 I CA 1.443 62.564 61.300 -0.297 0.000 1.339 971 I CB -0.234 37.440 38.000 -0.543 0.000 1.039 971 I HN 0.134 nan 8.210 nan 0.000 0.409 972 Q N -0.152 119.576 119.800 -0.119 0.000 2.124 972 Q HA -0.254 4.086 4.340 0.001 0.000 0.202 972 Q C 2.250 178.214 176.000 -0.060 0.000 0.977 972 Q CA 1.118 56.873 55.803 -0.081 0.000 0.850 972 Q CB -0.257 28.427 28.738 -0.090 0.000 0.901 972 Q HN 0.479 nan 8.270 nan 0.000 0.429 973 Q N 0.250 119.968 119.800 -0.137 0.000 2.135 973 Q HA -0.184 4.156 4.340 0.001 0.000 0.204 973 Q C 1.018 176.901 176.000 -0.195 0.000 0.981 973 Q CA 1.520 57.193 55.803 -0.216 0.000 0.856 973 Q CB 0.019 28.542 28.738 -0.359 0.000 0.902 973 Q HN 0.500 nan 8.270 nan 0.000 0.425 974 Y N 0.281 120.597 120.300 0.028 0.000 2.529 974 Y HA 0.075 4.625 4.550 0.001 0.000 0.290 974 Y C 2.145 178.120 175.900 0.125 0.000 1.177 974 Y CA 0.324 58.460 58.100 0.059 0.000 1.305 974 Y CB 0.230 38.720 38.460 0.049 0.000 1.047 974 Y HN 0.190 nan 8.280 nan 0.000 0.522 975 Q N -0.287 119.661 119.800 0.247 0.000 2.107 975 Q HA -0.104 4.236 4.340 0.001 0.000 0.195 975 Q C 1.794 177.887 176.000 0.155 0.000 0.964 975 Q CA 0.545 56.506 55.803 0.265 0.000 0.833 975 Q CB -0.056 28.773 28.738 0.152 0.000 0.910 975 Q HN 0.416 nan 8.270 nan 0.000 0.465 976 N N 1.247 119.998 118.700 0.084 0.000 2.144 976 N HA -0.184 4.557 4.740 0.001 0.000 0.195 976 N C 0.088 175.637 175.510 0.064 0.000 1.006 976 N CA 1.146 54.235 53.050 0.065 0.000 0.880 976 N CB -0.234 38.271 38.487 0.029 0.000 1.018 976 N HN 0.251 nan 8.380 nan 0.000 0.443 977 Q N 1.533 121.369 119.800 0.060 0.000 2.276 977 Q HA 0.187 4.527 4.340 0.001 0.000 0.267 977 Q C -2.108 173.902 176.000 0.018 0.000 1.135 977 Q CA -0.802 55.021 55.803 0.033 0.000 0.910 977 Q CB 0.484 29.230 28.738 0.013 0.000 1.271 977 Q HN 0.256 nan 8.270 nan 0.000 0.417 978 P HA -0.022 nan 4.420 nan 0.000 0.272 978 P C -1.135 176.243 177.300 0.131 0.000 1.240 978 P CA -0.197 63.004 63.100 0.168 0.000 0.791 978 P CB 0.473 32.315 31.700 0.236 0.000 0.978 979 Y N -0.799 119.620 120.300 0.199 0.000 2.323 979 Y HA 0.265 4.815 4.550 0.000 0.000 0.331 979 Y C 0.674 176.533 175.900 -0.069 0.000 1.092 979 Y CA -0.112 58.028 58.100 0.066 0.000 1.150 979 Y CB 0.991 39.468 38.460 0.028 0.000 1.200 979 Y HN 0.326 nan 8.280 nan 0.000 0.472 980 C N 7.506 126.667 119.300 -0.232 0.000 2.484 980 C HA 0.599 5.059 4.460 0.001 0.000 0.494 980 C C -0.779 174.035 174.990 -0.293 0.000 1.052 980 C CA -0.587 57.978 59.018 -0.756 0.000 1.307 980 C CB -2.790 24.358 27.740 -0.987 0.000 1.464 980 C HN 0.631 nan 8.230 nan 0.000 0.564 981 L N 3.759 124.911 121.223 -0.118 0.000 2.422 981 L HA 0.580 4.920 4.340 0.001 0.000 0.264 981 L C -0.315 176.540 176.870 -0.025 0.000 0.984 981 L CA -0.809 53.993 54.840 -0.063 0.000 0.819 981 L CB 1.836 43.872 42.059 -0.040 0.000 1.330 981 L HN 0.343 nan 8.230 nan 0.000 0.410 982 R N 1.220 121.704 120.500 -0.028 0.000 2.308 982 R HA 0.472 4.813 4.340 0.001 0.000 0.305 982 R C -0.673 175.631 176.300 0.008 0.000 1.053 982 R CA -0.714 55.389 56.100 0.005 0.000 0.957 982 R CB 1.242 31.547 30.300 0.008 0.000 1.022 982 R HN 0.231 nan 8.270 nan 0.000 0.461 983 V N 2.274 122.208 119.914 0.034 0.000 2.686 983 V HA 0.030 4.150 4.120 0.001 0.000 0.295 983 V C 0.310 176.440 176.094 0.059 0.000 1.055 983 V CA 0.037 62.362 62.300 0.042 0.000 1.050 983 V CB 1.221 33.078 31.823 0.056 0.000 0.984 983 V HN 0.710 nan 8.190 nan 0.000 0.482 984 E N 2.824 123.066 120.200 0.070 0.000 2.255 984 E HA 0.345 4.695 4.350 0.001 0.000 0.245 984 E C 0.758 177.453 176.600 0.159 0.000 0.909 984 E CA -0.148 56.322 56.400 0.117 0.000 0.747 984 E CB 1.189 30.927 29.700 0.063 0.000 1.215 984 E HN 0.569 nan 8.360 nan 0.000 0.424 985 S N 3.456 119.247 115.700 0.152 0.000 2.393 985 S HA -0.244 4.227 4.470 0.001 0.000 0.235 985 S C 0.958 175.669 174.600 0.184 0.000 1.061 985 S CA 2.010 60.296 58.200 0.143 0.000 1.129 985 S CB -0.252 63.016 63.200 0.113 0.000 1.011 985 S HN 0.668 nan 8.310 nan 0.000 0.436 986 D N 0.950 121.496 120.400 0.243 0.000 2.117 986 D HA -0.031 4.610 4.640 0.001 0.000 0.197 986 D C 1.891 178.465 176.300 0.457 0.000 0.987 986 D CA 0.876 55.062 54.000 0.311 0.000 0.829 986 D CB -0.412 40.613 40.800 0.375 0.000 0.961 986 D HN 0.402 nan 8.370 nan 0.000 0.460 987 I N 0.724 121.559 120.570 0.442 0.000 2.252 987 I HA -0.218 3.952 4.170 0.001 0.000 0.245 987 I C 2.463 178.817 176.117 0.394 0.000 1.102 987 I CA 0.845 62.360 61.300 0.359 0.000 1.385 987 I CB -0.199 37.884 38.000 0.137 0.000 1.064 987 I HN -0.045 nan 8.210 nan 0.000 0.414 988 K N 1.320 121.897 120.400 0.295 0.000 2.032 988 K HA -0.253 4.067 4.320 0.001 0.000 0.209 988 K C 2.344 179.073 176.600 0.215 0.000 1.048 988 K CA 1.620 58.056 56.287 0.248 0.000 0.927 988 K CB -0.046 32.545 32.500 0.152 0.000 0.712 988 K HN 0.026 nan 8.250 nan 0.000 0.441 989 R N -0.249 120.364 120.500 0.189 0.000 2.073 989 R HA -0.145 4.196 4.340 0.001 0.000 0.234 989 R C 2.142 178.502 176.300 0.100 0.000 1.134 989 R CA 1.824 57.999 56.100 0.124 0.000 0.952 989 R CB -0.576 29.793 30.300 0.115 0.000 0.850 989 R HN 0.291 nan 8.270 nan 0.000 0.433 990 F N -0.076 119.879 119.950 0.008 0.000 2.065 990 F HA -0.229 4.298 4.527 0.001 0.000 0.298 990 F C 1.520 177.143 175.800 -0.295 0.000 1.112 990 F CA 1.658 59.575 58.000 -0.138 0.000 1.212 990 F CB -0.395 38.537 39.000 -0.114 0.000 0.975 990 F HN -0.008 nan 8.300 nan 0.000 0.476 991 F N 0.837 120.745 119.950 -0.071 0.000 2.407 991 F HA -0.040 4.487 4.527 0.000 0.000 0.299 991 F C 2.329 178.017 175.800 -0.187 0.000 1.097 991 F CA 1.221 59.075 58.000 -0.244 0.000 1.422 991 F CB -0.759 38.216 39.000 -0.042 0.000 1.067 991 F HN 0.086 nan 8.300 nan 0.000 0.539 992 E N -0.244 119.980 120.200 0.040 0.000 2.152 992 E HA -0.120 4.231 4.350 0.001 0.000 0.192 992 E C 1.184 177.747 176.600 -0.063 0.000 0.983 992 E CA 0.753 57.162 56.400 0.015 0.000 0.818 992 E CB -0.159 29.554 29.700 0.023 0.000 0.758 992 E HN 0.343 nan 8.360 nan 0.000 0.467 993 N N 0.528 119.140 118.700 -0.146 0.000 2.336 993 N HA 0.061 4.801 4.740 0.001 0.000 0.189 993 N C 0.138 175.485 175.510 -0.273 0.000 1.113 993 N CA 0.138 53.084 53.050 -0.174 0.000 0.858 993 N CB 0.325 38.725 38.487 -0.144 0.000 0.970 993 N HN 0.121 nan 8.380 nan 0.000 0.471 994 L N 1.502 122.489 121.223 -0.394 0.000 2.559 994 L HA -0.017 4.323 4.340 0.001 0.000 0.274 994 L C 0.392 177.101 176.870 -0.268 0.000 1.205 994 L CA 0.363 54.917 54.840 -0.477 0.000 0.907 994 L CB 0.078 41.753 42.059 -0.640 0.000 1.153 994 L HN 0.031 nan 8.230 nan 0.000 0.490 995 N N 4.346 122.921 118.700 -0.207 0.000 2.710 995 N HA 0.281 5.021 4.740 0.001 0.000 0.244 995 N C -1.993 173.445 175.510 -0.119 0.000 1.321 995 N CA -1.203 51.760 53.050 -0.146 0.000 0.758 995 N CB 1.174 39.587 38.487 -0.122 0.000 1.284 995 N HN 0.118 nan 8.380 nan 0.000 0.530 996 P HA -0.019 nan 4.420 nan 0.000 0.217 996 P C 1.338 178.371 177.300 -0.445 0.000 1.150 996 P CA 1.097 64.158 63.100 -0.066 0.000 0.832 996 P CB 0.295 32.046 31.700 0.086 0.000 0.787 997 M N -1.653 117.546 119.600 -0.669 0.000 2.476 997 M HA 0.066 4.547 4.480 0.001 0.000 0.262 997 M C 1.350 177.421 176.300 -0.383 0.000 1.079 997 M CA 1.008 55.769 55.300 -0.899 0.000 1.104 997 M CB -0.880 31.356 32.600 -0.606 0.000 1.409 997 M HN 0.037 nan 8.290 nan 0.000 0.467 998 G N 2.238 110.902 108.800 -0.227 0.000 2.566 998 G HA2 -0.363 3.597 3.960 0.001 0.000 0.280 998 G HA3 -0.363 3.597 3.960 0.001 0.000 0.280 998 G C 0.177 175.017 174.900 -0.100 0.000 1.225 998 G CA 0.422 45.450 45.100 -0.119 0.000 0.966 998 G HN 0.716 nan 8.290 nan 0.000 0.560 999 N N -0.019 118.643 118.700 -0.063 0.000 2.268 999 N HA 0.297 5.038 4.740 0.001 0.000 0.204 999 N C 0.793 176.285 175.510 -0.030 0.000 1.124 999 N CA 0.628 53.652 53.050 -0.043 0.000 0.838 999 N CB 0.528 38.998 38.487 -0.028 0.000 0.994 999 N HN 0.723 nan 8.380 nan 0.000 0.489 1000 S N 0.795 116.474 115.700 -0.035 0.000 2.584 1000 S HA 0.269 4.740 4.470 0.001 0.000 0.273 1000 S C 0.496 175.108 174.600 0.021 0.000 1.311 1000 S CA -0.715 57.490 58.200 0.009 0.000 1.034 1000 S CB 0.635 63.865 63.200 0.051 0.000 0.939 1000 S HN 0.099 nan 8.310 nan 0.000 0.513 1001 M N 3.015 122.646 119.600 0.052 0.000 2.228 1001 M HA 0.240 4.720 4.480 0.001 0.000 0.326 1001 M C 1.606 177.971 176.300 0.108 0.000 1.122 1001 M CA 0.195 55.530 55.300 0.057 0.000 1.161 1001 M CB -0.164 32.467 32.600 0.051 0.000 1.437 1001 M HN 0.836 nan 8.290 nan 0.000 0.465 1002 E N 0.971 121.229 120.200 0.098 0.000 2.033 1002 E HA -0.280 4.071 4.350 0.001 0.000 0.199 1002 E C 1.650 178.353 176.600 0.172 0.000 1.011 1002 E CA 1.966 58.452 56.400 0.144 0.000 0.815 1002 E CB -0.121 29.640 29.700 0.100 0.000 0.755 1002 E HN 0.491 nan 8.360 nan 0.000 0.451 1003 K N 1.397 121.867 120.400 0.116 0.000 2.044 1003 K HA -0.235 4.085 4.320 0.001 0.000 0.210 1003 K C 1.842 178.516 176.600 0.122 0.000 1.049 1003 K CA 1.954 58.300 56.287 0.098 0.000 0.927 1003 K CB -0.075 32.465 32.500 0.066 0.000 0.713 1003 K HN 0.111 nan 8.250 nan 0.000 0.443 1004 E N -0.826 119.456 120.200 0.136 0.000 2.058 1004 E HA -0.196 4.154 4.350 0.001 0.000 0.194 1004 E C 1.911 178.647 176.600 0.226 0.000 0.997 1004 E CA 1.501 57.993 56.400 0.152 0.000 0.801 1004 E CB -0.316 29.461 29.700 0.129 0.000 0.746 1004 E HN 0.334 nan 8.360 nan 0.000 0.450 1005 F N 1.592 121.610 119.950 0.113 0.000 2.146 1005 F HA -0.187 4.340 4.527 0.000 0.000 0.298 1005 F C 2.326 178.255 175.800 0.214 0.000 1.096 1005 F CA 1.576 59.678 58.000 0.171 0.000 1.275 1005 F CB -0.536 38.537 39.000 0.123 0.000 1.008 1005 F HN -0.113 nan 8.300 nan 0.000 0.480 1006 T N 0.154 114.791 114.554 0.138 0.000 2.684 1006 T HA -0.204 4.147 4.350 0.001 0.000 0.267 1006 T C 1.475 176.184 174.700 0.016 0.000 1.036 1006 T CA 1.842 63.963 62.100 0.035 0.000 1.148 1006 T CB -0.415 68.508 68.868 0.092 0.000 0.863 1006 T HN 0.230 nan 8.240 nan 0.000 0.436 1007 D N -0.145 120.298 120.400 0.072 0.000 2.144 1007 D HA -0.062 4.579 4.640 0.001 0.000 0.199 1007 D C 1.675 178.037 176.300 0.103 0.000 0.984 1007 D CA 0.751 54.811 54.000 0.100 0.000 0.834 1007 D CB -0.423 40.438 40.800 0.101 0.000 0.955 1007 D HN 0.456 nan 8.370 nan 0.000 0.465 1008 Y N 1.521 121.794 120.300 -0.045 0.000 2.128 1008 Y HA -0.176 4.374 4.550 0.001 0.000 0.284 1008 Y C 2.070 177.887 175.900 -0.138 0.000 1.154 1008 Y CA 1.350 59.402 58.100 -0.080 0.000 1.149 1008 Y CB -0.514 37.890 38.460 -0.093 0.000 0.976 1008 Y HN -0.074 nan 8.280 nan 0.000 0.505 1009 L N -1.377 119.582 121.223 -0.440 0.000 2.017 1009 L HA -0.211 4.130 4.340 0.001 0.000 0.208 1009 L C 2.371 179.086 176.870 -0.259 0.000 1.073 1009 L CA 1.688 56.246 54.840 -0.471 0.000 0.745 1009 L CB -0.818 41.025 42.059 -0.360 0.000 0.894 1009 L HN 0.264 nan 8.230 nan 0.000 0.432 1010 F N 1.169 120.988 119.950 -0.219 0.000 2.186 1010 F HA -0.177 4.350 4.527 0.001 0.000 0.299 1010 F C 2.413 178.132 175.800 -0.135 0.000 1.090 1010 F CA 1.373 59.293 58.000 -0.132 0.000 1.307 1010 F CB -0.242 38.715 39.000 -0.072 0.000 1.019 1010 F HN 0.108 nan 8.300 nan 0.000 0.489 1011 N N 0.378 119.014 118.700 -0.106 0.000 2.188 1011 N HA -0.141 4.600 4.740 0.001 0.000 0.184 1011 N C 1.869 177.220 175.510 -0.263 0.000 1.018 1011 N CA 0.804 53.764 53.050 -0.150 0.000 0.858 1011 N CB -0.293 38.175 38.487 -0.032 0.000 0.989 1011 N HN 0.194 nan 8.380 nan 0.000 0.426 1012 K N 0.831 121.004 120.400 -0.379 0.000 2.097 1012 K HA -0.005 4.315 4.320 0.001 0.000 0.206 1012 K C 2.085 178.484 176.600 -0.335 0.000 1.049 1012 K CA 0.455 56.507 56.287 -0.392 0.000 0.933 1012 K CB -0.527 31.637 32.500 -0.560 0.000 0.717 1012 K HN 0.075 nan 8.250 nan 0.000 0.442 1013 S N 0.942 116.423 115.700 -0.365 0.000 2.368 1013 S HA -0.056 4.415 4.470 0.001 0.000 0.225 1013 S C 2.050 176.451 174.600 -0.331 0.000 1.030 1013 S CA 0.803 58.799 58.200 -0.341 0.000 0.999 1013 S CB -0.106 62.860 63.200 -0.391 0.000 0.844 1013 S HN 0.230 nan 8.310 nan 0.000 0.459 1014 L N 0.894 121.870 121.223 -0.412 0.000 2.083 1014 L HA -0.102 4.238 4.340 0.001 0.000 0.209 1014 L C 2.687 179.472 176.870 -0.140 0.000 1.083 1014 L CA 1.528 56.200 54.840 -0.281 0.000 0.752 1014 L CB -0.597 41.301 42.059 -0.268 0.000 0.899 1014 L HN 0.422 nan 8.230 nan 0.000 0.433 1015 E N 0.546 120.665 120.200 -0.135 0.000 2.031 1015 E HA -0.226 4.125 4.350 0.001 0.000 0.193 1015 E C 2.217 178.826 176.600 0.015 0.000 0.994 1015 E CA 1.696 58.074 56.400 -0.037 0.000 0.800 1015 E CB -0.161 29.504 29.700 -0.059 0.000 0.752 1015 E HN 0.626 nan 8.360 nan 0.000 0.447 1016 I N -1.347 119.120 120.570 -0.172 0.000 2.546 1016 I HA -0.034 4.136 4.170 0.001 0.000 0.255 1016 I C 0.371 176.474 176.117 -0.024 0.000 1.163 1016 I CA 1.156 62.307 61.300 -0.250 0.000 1.457 1016 I CB 0.065 37.805 38.000 -0.433 0.000 1.092 1016 I HN -0.137 nan 8.210 nan 0.000 0.434 1017 E N 2.118 122.297 120.200 -0.035 0.000 2.923 1017 E HA 0.390 4.740 4.350 0.001 0.000 0.266 1017 E C -2.498 174.107 176.600 0.009 0.000 1.157 1017 E CA -1.963 54.453 56.400 0.027 0.000 0.795 1017 E CB 1.285 31.018 29.700 0.054 0.000 1.454 1017 E HN 0.179 nan 8.360 nan 0.000 0.386 1018 P HA -0.082 nan 4.420 nan 0.000 0.267 1018 P C -0.115 177.196 177.300 0.019 0.000 1.201 1018 P CA 0.054 63.157 63.100 0.006 0.000 0.775 1018 P CB 0.609 32.320 31.700 0.018 0.000 0.854 1019 R N 2.565 123.070 120.500 0.008 0.000 2.641 1019 R HA 0.103 4.443 4.340 0.001 0.000 0.269 1019 R C 0.317 176.636 176.300 0.031 0.000 1.074 1019 R CA -0.291 55.823 56.100 0.023 0.000 1.133 1019 R CB 0.167 30.484 30.300 0.028 0.000 1.029 1019 R HN 0.490 nan 8.270 nan 0.000 0.488 1020 N N 3.075 121.796 118.700 0.035 0.000 2.453 1020 N HA 0.047 4.788 4.740 0.001 0.000 0.253 1020 N C -1.846 173.679 175.510 0.026 0.000 1.252 1020 N CA -0.762 52.308 53.050 0.034 0.000 0.917 1020 N CB 0.769 39.275 38.487 0.031 0.000 1.117 1020 N HN 0.495 nan 8.380 nan 0.000 0.442 1021 P HA 0.101 nan 4.420 nan 0.000 0.255 1021 P C -0.035 177.277 177.300 0.019 0.000 1.301 1021 P CA 0.162 63.274 63.100 0.021 0.000 0.817 1021 P CB 0.222 31.931 31.700 0.015 0.000 1.259 1022 K N 2.526 122.937 120.400 0.019 0.000 2.451 1022 K HA 0.105 4.426 4.320 0.001 0.000 0.280 1022 K C -1.942 174.665 176.600 0.012 0.000 1.020 1022 K CA -1.481 54.813 56.287 0.012 0.000 1.008 1022 K CB 0.196 32.703 32.500 0.011 0.000 0.917 1022 K HN 0.041 nan 8.250 nan 0.000 0.478 1023 P HA -0.035 nan 4.420 nan 0.000 0.272 1023 P C -0.788 176.490 177.300 -0.036 0.000 1.223 1023 P CA -0.497 62.592 63.100 -0.019 0.000 0.784 1023 P CB 0.623 32.304 31.700 -0.032 0.000 0.923 1024 L N 5.280 126.459 121.223 -0.073 0.000 2.361 1024 L HA 0.331 4.672 4.340 0.001 0.000 0.278 1024 L C -1.831 174.976 176.870 -0.104 0.000 1.113 1024 L CA -1.612 53.162 54.840 -0.109 0.000 0.849 1024 L CB -0.335 41.550 42.059 -0.290 0.000 1.155 1024 L HN 0.342 nan 8.230 nan 0.000 0.452 1025 P HA 0.374 nan 4.420 nan 0.000 0.282 1025 P C -1.169 175.968 177.300 -0.272 0.000 1.287 1025 P CA -0.645 62.316 63.100 -0.231 0.000 0.792 1025 P CB 0.924 32.410 31.700 -0.356 0.000 1.163 1026 R N -0.587 119.647 120.500 -0.444 0.000 2.778 1026 R HA 0.693 5.033 4.340 0.001 0.000 0.277 1026 R C -0.764 175.187 176.300 -0.582 0.000 0.977 1026 R CA -0.461 55.458 56.100 -0.302 0.000 0.950 1026 R CB 1.198 31.392 30.300 -0.176 0.000 1.165 1026 R HN 0.387 nan 8.270 nan 0.000 0.474 1027 F N 1.127 121.038 119.950 -0.065 0.000 2.599 1027 F HA 0.449 4.976 4.527 0.000 0.000 0.311 1027 F C -1.942 173.819 175.800 -0.065 0.000 1.076 1027 F CA -2.280 55.681 58.000 -0.064 0.000 0.937 1027 F CB 1.557 40.515 39.000 -0.071 0.000 1.282 1027 F HN 0.335 nan 8.300 nan 0.000 0.460 1028 P HA 0.164 nan 4.420 nan 0.000 0.276 1028 P C -1.019 176.281 177.300 -0.000 0.000 1.244 1028 P CA -0.576 62.541 63.100 0.029 0.000 0.801 1028 P CB 0.930 32.635 31.700 0.007 0.000 1.006 1029 K N 1.671 122.051 120.400 -0.033 0.000 2.295 1029 K HA 0.034 4.355 4.320 0.001 0.000 0.270 1029 K C 1.102 177.613 176.600 -0.147 0.000 1.011 1029 K CA 0.113 56.353 56.287 -0.077 0.000 0.953 1029 K CB 0.735 33.204 32.500 -0.052 0.000 0.956 1029 K HN 0.572 nan 8.250 nan 0.000 0.477 1030 K N -0.047 120.174 120.400 -0.298 0.000 2.412 1030 K HA 0.119 4.440 4.320 0.001 0.000 0.202 1030 K C -0.330 175.973 176.600 -0.495 0.000 1.102 1030 K CA 0.016 56.060 56.287 -0.406 0.000 1.027 1030 K CB 0.275 32.453 32.500 -0.537 0.000 0.931 1030 K HN 0.237 nan 8.250 nan 0.000 0.557 1031 Y N 2.023 122.198 120.300 -0.208 0.000 2.328 1031 Y HA 0.215 4.765 4.550 0.001 0.000 0.337 1031 Y C 0.996 176.636 175.900 -0.433 0.000 1.008 1031 Y CA -1.329 56.502 58.100 -0.449 0.000 1.129 1031 Y CB 2.020 40.130 38.460 -0.583 0.000 1.185 1031 Y HN 0.153 nan 8.280 nan 0.000 0.476 1032 S N 1.416 116.939 115.700 -0.295 0.000 2.605 1032 S HA 0.132 4.603 4.470 0.001 0.000 0.217 1032 S C -0.338 174.222 174.600 -0.068 0.000 0.958 1032 S CA -0.218 57.902 58.200 -0.133 0.000 0.919 1032 S CB -0.852 62.330 63.200 -0.031 0.000 0.780 1032 S HN 0.504 nan 8.310 nan 0.000 0.507 1033 Y N -0.155 120.190 120.300 0.075 0.000 2.562 1033 Y HA 0.818 5.368 4.550 0.000 0.000 0.343 1033 Y C -2.912 172.996 175.900 0.013 0.000 1.025 1033 Y CA -4.032 54.079 58.100 0.019 0.000 1.082 1033 Y CB -0.459 37.991 38.460 -0.017 0.000 1.264 1033 Y HN -0.171 nan 8.280 nan 0.000 0.478 1034 P HA 0.058 nan 4.420 nan 0.000 0.264 1034 P C 0.113 177.525 177.300 0.187 0.000 1.183 1034 P CA 0.173 63.359 63.100 0.143 0.000 0.763 1034 P CB 1.236 32.994 31.700 0.096 0.000 0.807 1035 L N 0.908 122.198 121.223 0.112 0.000 2.592 1035 L HA 0.139 4.479 4.340 0.001 0.000 0.227 1035 L C 1.414 178.317 176.870 0.055 0.000 1.127 1035 L CA 0.025 54.916 54.840 0.084 0.000 0.884 1035 L CB -0.481 41.603 42.059 0.042 0.000 1.065 1035 L HN 0.391 nan 8.230 nan 0.000 0.457 1036 K N 1.467 121.903 120.400 0.060 0.000 2.412 1036 K HA 0.042 4.363 4.320 0.001 0.000 0.281 1036 K C 0.437 177.038 176.600 0.001 0.000 1.027 1036 K CA -0.014 56.289 56.287 0.026 0.000 0.989 1036 K CB 0.752 33.270 32.500 0.030 0.000 0.935 1036 K HN -0.059 nan 8.250 nan 0.000 0.475 1037 S N 4.449 120.108 115.700 -0.069 0.000 2.565 1037 S HA 0.215 4.686 4.470 0.001 0.000 0.276 1037 S C -1.370 173.092 174.600 -0.231 0.000 1.326 1037 S CA -1.404 56.687 58.200 -0.182 0.000 1.045 1037 S CB 0.791 63.895 63.200 -0.160 0.000 0.918 1037 S HN 0.630 nan 8.310 nan 0.000 0.505 1038 P HA 0.227 nan 4.420 nan 0.000 0.245 1038 P C 0.742 177.932 177.300 -0.184 0.000 1.212 1038 P CA 0.587 63.485 63.100 -0.336 0.000 0.774 1038 P CB -0.702 30.622 31.700 -0.627 0.000 0.999 1039 G N 0.291 108.978 108.800 -0.190 0.000 2.756 1039 G HA2 -0.142 3.818 3.960 0.001 0.000 0.678 1039 G HA3 -0.142 3.818 3.960 0.001 0.000 0.678 1039 G C 0.115 175.000 174.900 -0.024 0.000 1.349 1039 G CA -0.346 44.701 45.100 -0.088 0.000 0.847 1039 G HN 0.237 nan 8.290 nan 0.000 0.548 1040 V N -3.048 116.854 119.914 -0.019 0.000 3.121 1040 V HA 0.543 4.664 4.120 0.001 0.000 0.344 1040 V C 0.674 176.756 176.094 -0.019 0.000 1.390 1040 V CA -0.094 62.203 62.300 -0.005 0.000 1.177 1040 V CB 0.353 32.146 31.823 -0.050 0.000 1.163 1040 V HN 0.614 nan 8.190 nan 0.000 0.484 1041 R N 3.458 123.951 120.500 -0.011 0.000 2.229 1041 R HA 0.507 4.847 4.340 0.001 0.000 0.328 1041 R C -2.558 173.721 176.300 -0.035 0.000 1.009 1041 R CA -2.071 54.015 56.100 -0.025 0.000 0.864 1041 R CB 1.095 31.384 30.300 -0.018 0.000 1.085 1041 R HN 0.359 nan 8.270 nan 0.000 0.453 1042 P HA 0.091 nan 4.420 nan 0.000 0.269 1042 P C -0.527 176.738 177.300 -0.059 0.000 1.209 1042 P CA -0.150 62.895 63.100 -0.091 0.000 0.776 1042 P CB 0.834 32.477 31.700 -0.096 0.000 0.876 1043 S N 1.526 117.188 115.700 -0.064 0.000 2.608 1043 S HA 0.324 4.795 4.470 0.001 0.000 0.291 1043 S C 0.191 174.772 174.600 -0.031 0.000 1.146 1043 S CA -0.675 57.506 58.200 -0.031 0.000 1.043 1043 S CB 0.435 63.627 63.200 -0.013 0.000 1.037 1043 S HN 0.405 nan 8.310 nan 0.000 0.520 1044 N N 3.651 122.342 118.700 -0.016 0.000 2.904 1044 N HA 0.386 5.127 4.740 0.001 0.000 0.257 1044 N C -2.596 172.912 175.510 -0.003 0.000 1.363 1044 N CA -0.630 52.412 53.050 -0.014 0.000 0.856 1044 N CB 1.139 39.617 38.487 -0.014 0.000 1.166 1044 N HN 0.517 nan 8.380 nan 0.000 0.499 1045 P HA 0.646 nan 4.420 nan 0.000 0.334 1045 P C -1.026 176.283 177.300 0.016 0.000 1.410 1045 P CA -0.561 62.545 63.100 0.011 0.000 1.298 1045 P CB 2.748 34.458 31.700 0.017 0.000 2.080 1046 R N 0.000 120.511 120.500 0.019 0.000 2.786 1046 R HA 0.000 4.340 4.340 0.001 0.000 0.208 1046 R CA 0.000 56.115 56.100 0.024 0.000 0.921 1046 R CB 0.000 30.311 30.300 0.019 0.000 0.687 1046 R HN 0.000 nan 8.270 nan 0.000 0.535