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 2qx5_1_A DATA FIRST_RESID 200 DATA SEQUENCE LNVNENNILR EKFENYARIV FQFNNSRQAN GNFDIANEFI SILSSANGTR DATA SEQUENCE NAQLLESWKI LESMKSKDIN IVEVGKQYLE QQFLQYTDNL YKKNMNEGLA DATA SEQUENCE TNVNKIKSFI DTKLKKADKS WKISNLTVIN GVPIWALIFY LLRAGLIKEA DATA SEQUENCE LQVLVENKAN IXXXXXSFLT YFKAYXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXDPYRL AVYKLIGRCD LSRKNIPAVT LSIEDWLWMH LMLIKXXXXX DATA SEQUENCE XXXXXERYSL EDFQNIIISY GPSRFSNYYL QTLLLSGLYG LAIDYTYTFS DATA SEQUENCE EMDAVHLAIG LASLKLXXXX XXXXXXXXXX XXXRFANILA NYTKSFRYSD DATA SEQUENCE PRVAVEYLVL ITLNEGPTDV ELCHEALREL VLETKEFTVL LGKIGRDGAR DATA SEQUENCE IPGVIEERQP LLHVRDEKEF LHTITEQAAR RADEDGRIYD SILLYQLAEE DATA SEQUENCE YDIVITLVNS LLSDTLSASD LDQPLVGPDD NSETNPVLLA RRMASIYFDN DATA SEQUENCE AGISRQIHVK NKEICMLLLN ISSIRELYFN KQWQETLSQM ELLDLLPFXX DATA SEQUENCE XXXARKKAQD FSNLDDNIVK NIPNLLIITL SCISNMIHIL NESKYQSSTK DATA SEQUENCE GQQIDSLKNV ARQCMIYAGM IQYRMPRETY STLINI 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 200 L HA 0.000 nan 4.340 nan 0.000 0.249 200 L C 0.000 176.893 176.870 0.038 0.000 1.165 200 L CA 0.000 54.885 54.840 0.075 0.000 0.813 200 L CB 0.000 42.139 42.059 0.134 0.000 0.961 201 N N 2.819 121.530 118.700 0.019 0.000 2.572 201 N HA 0.325 5.065 4.740 0.001 0.000 0.287 201 N C -0.150 175.332 175.510 -0.047 0.000 1.136 201 N CA -0.374 52.661 53.050 -0.024 0.000 0.900 201 N CB 1.786 40.259 38.487 -0.024 0.000 1.484 201 N HN 0.391 nan 8.380 nan 0.000 0.526 202 V N 2.401 122.248 119.914 -0.112 0.000 2.867 202 V HA -0.057 4.063 4.120 0.001 0.000 0.260 202 V C 1.027 177.013 176.094 -0.180 0.000 1.099 202 V CA 1.245 63.428 62.300 -0.194 0.000 1.122 202 V CB -0.539 30.956 31.823 -0.547 0.000 0.708 202 V HN 0.695 nan 8.190 nan 0.000 0.490 203 N N -0.561 118.055 118.700 -0.139 0.000 2.230 203 N HA 0.004 4.745 4.740 0.001 0.000 0.202 203 N C 1.640 177.120 175.510 -0.051 0.000 1.119 203 N CA 0.103 53.096 53.050 -0.095 0.000 0.851 203 N CB 0.482 38.916 38.487 -0.088 0.000 0.990 203 N HN 0.614 nan 8.380 nan 0.000 0.497 204 E N 1.535 121.711 120.200 -0.039 0.000 2.058 204 E HA -0.179 4.171 4.350 0.001 0.000 0.194 204 E C -0.067 176.526 176.600 -0.012 0.000 0.997 204 E CA 1.216 57.604 56.400 -0.020 0.000 0.801 204 E CB 0.187 29.882 29.700 -0.008 0.000 0.746 204 E HN 0.491 nan 8.360 nan 0.000 0.450 205 N N -2.427 116.267 118.700 -0.009 0.000 2.647 205 N HA 0.115 4.856 4.740 0.001 0.000 0.266 205 N C -0.455 175.055 175.510 -0.001 0.000 1.373 205 N CA -0.558 52.490 53.050 -0.003 0.000 0.807 205 N CB 0.482 38.972 38.487 0.005 0.000 1.513 205 N HN -0.132 nan 8.380 nan 0.000 0.505 206 N N -0.670 118.032 118.700 0.003 0.000 2.457 206 N HA 0.146 4.887 4.740 0.001 0.000 0.180 206 N C 0.763 176.278 175.510 0.009 0.000 1.050 206 N CA 0.400 53.453 53.050 0.006 0.000 0.906 206 N CB 0.023 38.513 38.487 0.005 0.000 0.968 206 N HN 0.469 nan 8.380 nan 0.000 0.445 207 I N 0.238 120.814 120.570 0.010 0.000 2.286 207 I HA -0.182 3.988 4.170 0.001 0.000 0.245 207 I C 1.990 178.113 176.117 0.010 0.000 1.104 207 I CA 0.728 62.034 61.300 0.011 0.000 1.397 207 I CB 0.073 38.082 38.000 0.015 0.000 1.072 207 I HN 0.129 nan 8.210 nan 0.000 0.417 208 L N 0.850 122.081 121.223 0.014 0.000 2.179 208 L HA -0.064 4.276 4.340 0.001 0.000 0.208 208 L C 2.513 179.402 176.870 0.033 0.000 1.096 208 L CA 1.480 56.332 54.840 0.020 0.000 0.779 208 L CB -0.594 41.480 42.059 0.025 0.000 0.922 208 L HN 0.045 nan 8.230 nan 0.000 0.443 209 R N -0.201 120.315 120.500 0.026 0.000 2.096 209 R HA -0.132 4.209 4.340 0.001 0.000 0.235 209 R C 2.028 178.395 176.300 0.111 0.000 1.127 209 R CA 1.420 57.553 56.100 0.055 0.000 0.968 209 R CB -0.304 30.009 30.300 0.023 0.000 0.861 209 R HN 0.314 nan 8.270 nan 0.000 0.440 210 E N 0.520 120.748 120.200 0.045 0.000 2.072 210 E HA -0.179 4.171 4.350 0.001 0.000 0.191 210 E C 1.713 178.297 176.600 -0.026 0.000 0.985 210 E CA 1.055 57.466 56.400 0.018 0.000 0.801 210 E CB -0.171 29.529 29.700 -0.001 0.000 0.750 210 E HN 0.394 nan 8.360 nan 0.000 0.452 211 K N 0.176 120.534 120.400 -0.070 0.000 2.057 211 K HA -0.164 4.157 4.320 0.001 0.000 0.207 211 K C 2.156 178.572 176.600 -0.307 0.000 1.049 211 K CA 1.087 57.218 56.287 -0.261 0.000 0.931 211 K CB -0.299 32.025 32.500 -0.293 0.000 0.714 211 K HN 0.026 nan 8.250 nan 0.000 0.440 212 F N 2.255 122.082 119.950 -0.206 0.000 2.091 212 F HA -0.230 4.296 4.527 -0.002 0.000 0.299 212 F C 1.763 177.538 175.800 -0.041 0.000 1.103 212 F CA 1.983 59.932 58.000 -0.085 0.000 1.228 212 F CB -0.186 38.767 39.000 -0.078 0.000 0.984 212 F HN 0.141 nan 8.300 nan 0.000 0.477 213 E N 0.019 120.137 120.200 -0.137 0.000 2.077 213 E HA -0.221 4.129 4.350 0.001 0.000 0.193 213 E C 2.006 178.497 176.600 -0.182 0.000 0.989 213 E CA 1.204 57.464 56.400 -0.233 0.000 0.800 213 E CB -0.325 29.347 29.700 -0.046 0.000 0.746 213 E HN 0.479 nan 8.360 nan 0.000 0.452 214 N N 0.100 118.736 118.700 -0.106 0.000 2.120 214 N HA -0.157 4.584 4.740 0.001 0.000 0.188 214 N C 1.713 177.243 175.510 0.033 0.000 1.024 214 N CA 1.099 54.122 53.050 -0.045 0.000 0.852 214 N CB -0.197 38.276 38.487 -0.024 0.000 1.003 214 N HN 0.220 nan 8.380 nan 0.000 0.424 215 Y N 1.276 121.449 120.300 -0.211 0.000 2.220 215 Y HA 0.061 4.611 4.550 -0.000 0.000 0.291 215 Y C 2.485 178.352 175.900 -0.055 0.000 1.129 215 Y CA 0.127 58.082 58.100 -0.240 0.000 1.161 215 Y CB -1.069 37.200 38.460 -0.318 0.000 0.997 215 Y HN -0.000 nan 8.280 nan 0.000 0.522 216 A N 0.156 123.014 122.820 0.063 0.000 1.933 216 A HA -0.227 4.093 4.320 0.001 0.000 0.218 216 A C 2.434 180.030 177.584 0.021 0.000 1.175 216 A CA 1.811 53.870 52.037 0.036 0.000 0.628 216 A CB -0.717 18.078 19.000 -0.342 0.000 0.814 216 A HN 0.400 nan 8.150 nan 0.000 0.444 217 R N -0.267 120.210 120.500 -0.040 0.000 2.096 217 R HA -0.061 4.279 4.340 0.001 0.000 0.235 217 R C 1.885 178.225 176.300 0.068 0.000 1.127 217 R CA 1.517 57.616 56.100 -0.001 0.000 0.968 217 R CB -0.380 29.889 30.300 -0.053 0.000 0.861 217 R HN 0.572 nan 8.270 nan 0.000 0.440 218 I N 0.112 120.673 120.570 -0.015 0.000 2.142 218 I HA -0.273 3.898 4.170 0.001 0.000 0.240 218 I C 2.212 178.386 176.117 0.095 0.000 1.078 218 I CA 1.133 62.420 61.300 -0.023 0.000 1.343 218 I CB -0.251 37.516 38.000 -0.389 0.000 1.046 218 I HN 0.037 nan 8.210 nan 0.000 0.405 219 V N 0.614 120.591 119.914 0.105 0.000 2.392 219 V HA -0.309 3.812 4.120 0.001 0.000 0.249 219 V C 2.275 178.383 176.094 0.023 0.000 1.059 219 V CA 1.876 64.223 62.300 0.079 0.000 1.051 219 V CB -0.725 30.967 31.823 -0.217 0.000 0.658 219 V HN 0.336 nan 8.190 nan 0.000 0.455 220 F N 1.032 120.922 119.950 -0.099 0.000 2.095 220 F HA -0.248 4.281 4.527 0.002 0.000 0.298 220 F C 2.560 178.261 175.800 -0.165 0.000 1.104 220 F CA 2.089 60.021 58.000 -0.113 0.000 1.232 220 F CB -0.291 38.660 39.000 -0.081 0.000 0.987 220 F HN 0.172 nan 8.300 nan 0.000 0.475 221 Q N -1.193 118.544 119.800 -0.106 0.000 2.167 221 Q HA -0.199 4.142 4.340 0.001 0.000 0.202 221 Q C 2.148 177.639 176.000 -0.847 0.000 0.970 221 Q CA 1.450 57.026 55.803 -0.380 0.000 0.855 221 Q CB -0.522 28.114 28.738 -0.169 0.000 0.911 221 Q HN 0.482 nan 8.270 nan 0.000 0.438 222 F N 2.327 121.717 119.950 -0.935 0.000 2.134 222 F HA -0.153 4.374 4.527 -0.000 0.000 0.299 222 F C 1.683 177.210 175.800 -0.456 0.000 1.097 222 F CA 1.200 58.721 58.000 -0.799 0.000 1.264 222 F CB -0.320 38.548 39.000 -0.220 0.000 1.001 222 F HN 0.026 nan 8.300 nan 0.000 0.479 223 N N 0.886 119.278 118.700 -0.512 0.000 2.188 223 N HA -0.174 4.567 4.740 0.001 0.000 0.184 223 N C 1.493 176.720 175.510 -0.473 0.000 1.018 223 N CA 1.169 53.898 53.050 -0.536 0.000 0.858 223 N CB -0.687 37.550 38.487 -0.417 0.000 0.989 223 N HN 0.304 nan 8.380 nan 0.000 0.426 224 N N 0.506 118.897 118.700 -0.514 0.000 2.104 224 N HA -0.127 4.613 4.740 0.001 0.000 0.190 224 N C 1.805 177.142 175.510 -0.288 0.000 1.024 224 N CA 0.925 53.730 53.050 -0.408 0.000 0.853 224 N CB -0.568 37.672 38.487 -0.413 0.000 1.008 224 N HN 0.190 nan 8.380 nan 0.000 0.424 225 S N 0.718 116.233 115.700 -0.309 0.000 2.357 225 S HA 0.007 4.477 4.470 0.001 0.000 0.221 225 S C 1.878 176.403 174.600 -0.125 0.000 1.031 225 S CA 0.608 58.720 58.200 -0.147 0.000 0.982 225 S CB 0.070 63.250 63.200 -0.034 0.000 0.853 225 S HN 0.219 nan 8.310 nan 0.000 0.458 226 R N 0.503 120.862 120.500 -0.234 0.000 2.103 226 R HA -0.147 4.193 4.340 0.001 0.000 0.242 226 R C 2.711 178.912 176.300 -0.164 0.000 1.142 226 R CA 1.991 57.957 56.100 -0.223 0.000 0.960 226 R CB -0.374 29.684 30.300 -0.403 0.000 0.858 226 R HN 0.600 nan 8.270 nan 0.000 0.439 227 Q N -0.194 119.489 119.800 -0.194 0.000 2.163 227 Q HA 0.029 4.370 4.340 0.001 0.000 0.198 227 Q C 1.528 177.460 176.000 -0.113 0.000 0.954 227 Q CA 1.001 56.709 55.803 -0.159 0.000 0.851 227 Q CB 0.210 28.837 28.738 -0.185 0.000 0.928 227 Q HN 0.352 nan 8.270 nan 0.000 0.459 228 A N 0.589 123.345 122.820 -0.106 0.000 2.238 228 A HA 0.019 4.339 4.320 0.001 0.000 0.208 228 A C 0.476 178.035 177.584 -0.041 0.000 1.177 228 A CA 0.444 52.441 52.037 -0.067 0.000 0.804 228 A CB -0.341 18.622 19.000 -0.061 0.000 0.823 228 A HN 0.627 nan 8.150 nan 0.000 0.482 229 N N -1.254 117.419 118.700 -0.044 0.000 2.714 229 N HA -0.142 4.599 4.740 0.001 0.000 0.252 229 N C 0.284 175.800 175.510 0.009 0.000 1.014 229 N CA 1.046 54.087 53.050 -0.016 0.000 0.735 229 N CB -1.252 37.227 38.487 -0.014 0.000 0.924 229 N HN 0.691 nan 8.380 nan 0.000 0.540 230 G N -0.591 108.222 108.800 0.022 0.000 3.209 230 G HA2 0.476 4.436 3.960 0.001 0.000 0.236 230 G HA3 0.476 4.436 3.960 0.001 0.000 0.236 230 G C -0.712 174.246 174.900 0.098 0.000 1.329 230 G CA -0.689 44.440 45.100 0.048 0.000 1.015 230 G HN 0.282 nan 8.290 nan 0.000 0.571 231 N N 0.106 118.873 118.700 0.112 0.000 2.419 231 N HA 0.456 5.196 4.740 0.001 0.000 0.264 231 N C -1.879 173.781 175.510 0.249 0.000 1.031 231 N CA 0.092 53.225 53.050 0.138 0.000 0.951 231 N CB 1.831 40.367 38.487 0.082 0.000 1.101 231 N HN 0.237 nan 8.380 nan 0.000 0.488 232 F N 1.221 121.205 119.950 0.056 0.000 2.588 232 F HA 0.184 4.710 4.527 -0.002 0.000 0.314 232 F C -1.001 174.805 175.800 0.010 0.000 1.134 232 F CA -1.017 57.014 58.000 0.052 0.000 0.961 232 F CB 1.670 40.750 39.000 0.133 0.000 1.239 232 F HN 0.194 nan 8.300 nan 0.000 0.448 233 D N 6.228 126.259 120.400 -0.614 0.000 2.458 233 D HA 0.195 4.835 4.640 0.001 0.000 0.258 233 D C 0.949 176.888 176.300 -0.602 0.000 1.134 233 D CA 0.009 53.754 54.000 -0.425 0.000 0.915 233 D CB 0.740 41.373 40.800 -0.280 0.000 1.028 233 D HN 0.731 nan 8.370 nan 0.000 0.508 234 I N 2.469 122.788 120.570 -0.419 0.000 2.286 234 I HA -0.229 3.942 4.170 0.001 0.000 0.248 234 I C 1.930 177.913 176.117 -0.222 0.000 1.115 234 I CA 1.138 62.266 61.300 -0.287 0.000 1.392 234 I CB 0.331 38.215 38.000 -0.193 0.000 1.065 234 I HN 0.388 nan 8.210 nan 0.000 0.418 235 A N 0.634 123.383 122.820 -0.119 0.000 1.902 235 A HA -0.316 4.004 4.320 0.001 0.000 0.217 235 A C 2.009 179.521 177.584 -0.120 0.000 1.181 235 A CA 2.314 54.345 52.037 -0.011 0.000 0.623 235 A CB -1.072 18.055 19.000 0.213 0.000 0.818 235 A HN 0.598 nan 8.150 nan 0.000 0.443 236 N N -0.311 118.299 118.700 -0.149 0.000 2.104 236 N HA -0.186 4.554 4.740 0.001 0.000 0.190 236 N C 1.674 177.051 175.510 -0.222 0.000 1.024 236 N CA 1.796 54.750 53.050 -0.160 0.000 0.853 236 N CB -0.145 38.232 38.487 -0.183 0.000 1.008 236 N HN 0.433 nan 8.380 nan 0.000 0.424 237 E N -0.170 119.833 120.200 -0.328 0.000 2.038 237 E HA -0.176 4.174 4.350 0.001 0.000 0.195 237 E C 1.923 178.256 176.600 -0.445 0.000 1.000 237 E CA 1.100 57.270 56.400 -0.383 0.000 0.803 237 E CB -0.614 28.815 29.700 -0.452 0.000 0.750 237 E HN 0.494 nan 8.360 nan 0.000 0.448 238 F N 0.676 120.254 119.950 -0.621 0.000 2.186 238 F HA -0.057 4.473 4.527 0.004 0.000 0.299 238 F C 2.443 177.961 175.800 -0.469 0.000 1.090 238 F CA 0.490 58.038 58.000 -0.753 0.000 1.307 238 F CB -0.400 37.636 39.000 -1.607 0.000 1.019 238 F HN -0.050 nan 8.300 nan 0.000 0.489 239 I N -0.896 119.563 120.570 -0.185 0.000 2.194 239 I HA -0.380 3.790 4.170 0.001 0.000 0.246 239 I C 2.696 178.790 176.117 -0.039 0.000 1.093 239 I CA 1.650 62.930 61.300 -0.033 0.000 1.355 239 I CB -0.508 37.500 38.000 0.013 0.000 1.046 239 I HN 0.120 nan 8.210 nan 0.000 0.413 240 S N 0.639 116.283 115.700 -0.094 0.000 2.368 240 S HA -0.124 4.346 4.470 0.001 0.000 0.225 240 S C 2.011 176.573 174.600 -0.063 0.000 1.030 240 S CA 1.263 59.417 58.200 -0.078 0.000 0.999 240 S CB -0.245 62.890 63.200 -0.109 0.000 0.844 240 S HN 0.364 nan 8.310 nan 0.000 0.459 241 I N 0.764 121.273 120.570 -0.101 0.000 2.617 241 I HA -0.041 4.130 4.170 0.001 0.000 0.256 241 I C 1.667 177.803 176.117 0.032 0.000 1.167 241 I CA 0.821 62.091 61.300 -0.050 0.000 1.469 241 I CB -0.126 37.817 38.000 -0.096 0.000 1.098 241 I HN 0.321 nan 8.210 nan 0.000 0.436 242 L N -0.114 121.138 121.223 0.048 0.000 2.477 242 L HA -0.012 4.329 4.340 0.001 0.000 0.220 242 L C 2.589 179.514 176.870 0.091 0.000 1.106 242 L CA 0.517 55.423 54.840 0.109 0.000 0.851 242 L CB -0.264 41.894 42.059 0.164 0.000 0.994 242 L HN 0.230 nan 8.230 nan 0.000 0.462 243 S N -1.506 114.231 115.700 0.062 0.000 2.423 243 S HA -0.097 4.373 4.470 0.001 0.000 0.231 243 S C 1.845 176.475 174.600 0.052 0.000 1.014 243 S CA 1.147 59.383 58.200 0.060 0.000 0.965 243 S CB -0.181 63.045 63.200 0.043 0.000 0.785 243 S HN 0.290 nan 8.310 nan 0.000 0.495 244 S N 1.447 117.173 115.700 0.043 0.000 2.524 244 S HA 0.557 5.028 4.470 0.001 0.000 0.216 244 S C 1.093 175.721 174.600 0.046 0.000 0.987 244 S CA 0.163 58.386 58.200 0.037 0.000 0.909 244 S CB -0.143 63.072 63.200 0.024 0.000 0.781 244 S HN 0.792 nan 8.310 nan 0.000 0.521 245 A N 2.765 125.622 122.820 0.062 0.000 2.325 245 A HA 0.539 4.860 4.320 0.001 0.000 0.260 245 A C 0.156 177.779 177.584 0.065 0.000 1.133 245 A CA -0.420 51.659 52.037 0.071 0.000 0.801 245 A CB 0.012 19.072 19.000 0.100 0.000 1.092 245 A HN 0.557 nan 8.150 nan 0.000 0.504 246 N N -2.242 116.497 118.700 0.064 0.000 2.431 246 N HA 0.649 5.390 4.740 0.001 0.000 0.275 246 N C -0.545 174.997 175.510 0.052 0.000 1.091 246 N CA 0.062 53.145 53.050 0.056 0.000 0.922 246 N CB 1.391 39.905 38.487 0.045 0.000 1.666 246 N HN 1.634 nan 8.380 nan 0.000 0.484 247 G N -0.727 108.102 108.800 0.048 0.000 2.361 247 G HA2 0.083 4.043 3.960 0.001 0.000 0.331 247 G HA3 0.083 4.043 3.960 0.001 0.000 0.331 247 G C -0.143 174.775 174.900 0.030 0.000 1.324 247 G CA -0.144 44.977 45.100 0.036 0.000 0.984 247 G HN 0.510 nan 8.290 nan 0.000 0.586 248 T N 0.508 115.065 114.554 0.005 0.000 2.732 248 T HA -0.030 4.321 4.350 0.001 0.000 0.261 248 T C 2.593 177.265 174.700 -0.046 0.000 1.040 248 T CA 1.647 63.742 62.100 -0.009 0.000 1.145 248 T CB -0.186 68.664 68.868 -0.029 0.000 0.866 248 T HN 0.392 nan 8.240 nan 0.000 0.427 249 R N 1.831 122.259 120.500 -0.120 0.000 2.096 249 R HA 0.098 4.439 4.340 0.001 0.000 0.235 249 R C 2.180 178.476 176.300 -0.006 0.000 1.127 249 R CA 0.844 56.806 56.100 -0.229 0.000 0.968 249 R CB -0.988 29.090 30.300 -0.370 0.000 0.861 249 R HN 0.455 nan 8.270 nan 0.000 0.440 250 N N 0.843 119.577 118.700 0.057 0.000 2.244 250 N HA -0.085 4.655 4.740 0.001 0.000 0.183 250 N C 1.618 177.204 175.510 0.127 0.000 1.016 250 N CA 1.261 54.386 53.050 0.124 0.000 0.866 250 N CB -0.035 38.523 38.487 0.117 0.000 0.980 250 N HN 0.184 nan 8.380 nan 0.000 0.430 251 A N 1.098 123.976 122.820 0.096 0.000 1.969 251 A HA -0.171 4.149 4.320 0.001 0.000 0.218 251 A C 2.191 179.851 177.584 0.126 0.000 1.169 251 A CA 1.202 53.306 52.037 0.111 0.000 0.635 251 A CB -0.497 18.561 19.000 0.097 0.000 0.810 251 A HN 0.336 nan 8.150 nan 0.000 0.445 252 Q N -0.432 119.428 119.800 0.101 0.000 2.083 252 Q HA -0.047 4.293 4.340 0.001 0.000 0.198 252 Q C 1.914 177.986 176.000 0.121 0.000 0.969 252 Q CA 1.208 57.073 55.803 0.102 0.000 0.838 252 Q CB -0.212 28.561 28.738 0.059 0.000 0.900 252 Q HN 0.654 nan 8.270 nan 0.000 0.436 253 L N 0.324 121.648 121.223 0.168 0.000 2.017 253 L HA -0.189 4.152 4.340 0.001 0.000 0.208 253 L C 2.457 179.489 176.870 0.270 0.000 1.073 253 L CA 0.687 55.656 54.840 0.215 0.000 0.745 253 L CB -0.576 41.668 42.059 0.307 0.000 0.894 253 L HN 0.329 nan 8.230 nan 0.000 0.432 254 L N 0.257 121.637 121.223 0.261 0.000 2.081 254 L HA -0.268 4.072 4.340 0.001 0.000 0.212 254 L C 2.440 179.445 176.870 0.226 0.000 1.080 254 L CA 2.037 57.032 54.840 0.259 0.000 0.754 254 L CB -0.512 41.660 42.059 0.188 0.000 0.893 254 L HN 0.352 nan 8.230 nan 0.000 0.433 255 E N -1.296 119.007 120.200 0.173 0.000 2.112 255 E HA -0.148 4.202 4.350 0.001 0.000 0.190 255 E C 2.036 178.664 176.600 0.047 0.000 0.979 255 E CA 0.995 57.488 56.400 0.155 0.000 0.814 255 E CB -0.027 29.787 29.700 0.190 0.000 0.762 255 E HN 0.595 nan 8.360 nan 0.000 0.460 256 S N 0.402 116.084 115.700 -0.030 0.000 2.359 256 S HA -0.185 4.285 4.470 0.001 0.000 0.224 256 S C 1.372 175.838 174.600 -0.223 0.000 1.035 256 S CA 1.487 59.570 58.200 -0.195 0.000 1.018 256 S CB -0.552 62.491 63.200 -0.260 0.000 0.876 256 S HN 0.467 nan 8.310 nan 0.000 0.448 257 W N 1.756 123.016 121.300 -0.067 0.000 2.338 257 W HA -0.061 4.602 4.660 0.005 0.000 0.304 257 W C 2.451 178.940 176.519 -0.050 0.000 1.212 257 W CA 0.724 58.025 57.345 -0.073 0.000 1.264 257 W CB -0.180 29.258 29.460 -0.038 0.000 1.142 257 W HN 0.222 nan 8.180 nan 0.000 0.512 258 K N 0.039 120.563 120.400 0.206 0.000 2.103 258 K HA -0.194 4.127 4.320 0.001 0.000 0.207 258 K C 1.698 178.326 176.600 0.048 0.000 1.048 258 K CA 1.648 58.033 56.287 0.165 0.000 0.930 258 K CB -0.512 32.129 32.500 0.235 0.000 0.716 258 K HN 0.192 nan 8.250 nan 0.000 0.444 259 I N 0.979 121.440 120.570 -0.181 0.000 2.179 259 I HA -0.314 3.856 4.170 0.001 0.000 0.242 259 I C 2.117 178.113 176.117 -0.202 0.000 1.088 259 I CA 1.224 62.262 61.300 -0.438 0.000 1.357 259 I CB -0.247 37.410 38.000 -0.571 0.000 1.051 259 I HN 0.141 nan 8.210 nan 0.000 0.409 260 L N 0.072 121.201 121.223 -0.158 0.000 2.017 260 L HA -0.227 4.113 4.340 0.001 0.000 0.208 260 L C 2.697 179.561 176.870 -0.011 0.000 1.073 260 L CA 1.443 56.214 54.840 -0.115 0.000 0.745 260 L CB -0.879 41.079 42.059 -0.169 0.000 0.894 260 L HN 0.360 nan 8.230 nan 0.000 0.432 261 E N 0.817 121.056 120.200 0.065 0.000 2.070 261 E HA -0.255 4.096 4.350 0.001 0.000 0.197 261 E C 2.054 178.686 176.600 0.054 0.000 1.004 261 E CA 1.864 58.306 56.400 0.071 0.000 0.805 261 E CB -0.017 29.741 29.700 0.097 0.000 0.744 261 E HN 0.469 nan 8.360 nan 0.000 0.451 262 S N -0.678 115.068 115.700 0.077 0.000 2.727 262 S HA -0.042 4.429 4.470 0.001 0.000 0.226 262 S C 1.578 176.222 174.600 0.072 0.000 0.963 262 S CA 0.555 58.820 58.200 0.108 0.000 0.950 262 S CB -0.081 63.256 63.200 0.228 0.000 0.779 262 S HN 0.318 nan 8.310 nan 0.000 0.532 263 M N -0.158 119.459 119.600 0.029 0.000 2.279 263 M HA 0.368 4.848 4.480 0.001 0.000 0.299 263 M C -0.319 175.977 176.300 -0.006 0.000 0.970 263 M CA -0.226 55.079 55.300 0.008 0.000 1.065 263 M CB 0.508 33.090 32.600 -0.030 0.000 1.669 263 M HN 0.041 nan 8.290 nan 0.000 0.582 264 K N 1.192 121.590 120.400 -0.003 0.000 2.355 264 K HA 0.119 4.440 4.320 0.001 0.000 0.270 264 K C 0.971 177.572 176.600 0.001 0.000 1.003 264 K CA 0.756 57.038 56.287 -0.008 0.000 0.957 264 K CB 0.442 32.939 32.500 -0.005 0.000 0.939 264 K HN 0.433 nan 8.250 nan 0.000 0.482 265 S N -0.546 115.154 115.700 -0.001 0.000 3.319 265 S HA -0.271 4.199 4.470 0.001 0.000 0.319 265 S C -0.024 174.579 174.600 0.006 0.000 1.236 265 S CA 1.515 59.718 58.200 0.005 0.000 0.964 265 S CB -1.451 61.754 63.200 0.009 0.000 1.040 265 S HN 0.738 nan 8.310 nan 0.000 0.620 266 K N 1.216 121.619 120.400 0.005 0.000 2.118 266 K HA 0.539 4.859 4.320 0.001 0.000 0.254 266 K C 0.168 176.771 176.600 0.005 0.000 0.961 266 K CA 0.161 56.453 56.287 0.009 0.000 0.876 266 K CB 1.166 33.676 32.500 0.017 0.000 1.077 266 K HN 0.399 nan 8.250 nan 0.000 0.440 267 D N 3.216 123.619 120.400 0.006 0.000 2.531 267 D HA 0.057 4.697 4.640 0.001 0.000 0.239 267 D C 0.347 176.650 176.300 0.005 0.000 1.144 267 D CA 0.189 54.191 54.000 0.003 0.000 0.869 267 D CB -0.200 40.600 40.800 0.001 0.000 1.160 267 D HN 0.447 nan 8.370 nan 0.000 0.484 268 I N 2.346 122.917 120.570 0.003 0.000 2.578 268 I HA 0.138 4.309 4.170 0.001 0.000 0.286 268 I C 0.448 176.572 176.117 0.012 0.000 1.126 268 I CA 0.212 61.517 61.300 0.007 0.000 1.380 268 I CB 0.178 38.180 38.000 0.003 0.000 1.408 268 I HN 0.471 nan 8.210 nan 0.000 0.532 269 N N 7.554 126.266 118.700 0.020 0.000 2.932 269 N HA 0.214 4.955 4.740 0.001 0.000 0.242 269 N C 0.353 175.879 175.510 0.025 0.000 1.351 269 N CA -0.324 52.735 53.050 0.015 0.000 0.785 269 N CB 0.790 39.280 38.487 0.006 0.000 1.501 269 N HN 0.450 nan 8.380 nan 0.000 0.584 270 I N 0.931 121.518 120.570 0.029 0.000 2.194 270 I HA -0.286 3.884 4.170 0.001 0.000 0.246 270 I C 1.843 177.977 176.117 0.029 0.000 1.093 270 I CA 1.218 62.541 61.300 0.038 0.000 1.355 270 I CB 0.108 38.115 38.000 0.012 0.000 1.046 270 I HN 0.297 nan 8.210 nan 0.000 0.413 271 V N 0.306 120.222 119.914 0.004 0.000 2.307 271 V HA -0.223 3.897 4.120 0.001 0.000 0.245 271 V C 2.554 178.650 176.094 0.005 0.000 1.045 271 V CA 1.957 64.250 62.300 -0.012 0.000 1.024 271 V CB -0.634 31.157 31.823 -0.054 0.000 0.651 271 V HN 0.358 nan 8.190 nan 0.000 0.449 272 E N -0.511 119.693 120.200 0.008 0.000 2.153 272 E HA -0.151 4.199 4.350 0.001 0.000 0.194 272 E C 2.165 178.801 176.600 0.060 0.000 0.988 272 E CA 1.229 57.642 56.400 0.022 0.000 0.811 272 E CB -0.401 29.304 29.700 0.009 0.000 0.746 272 E HN 0.559 nan 8.360 nan 0.000 0.466 273 V N 0.349 120.303 119.914 0.067 0.000 2.591 273 V HA -0.024 4.096 4.120 0.001 0.000 0.249 273 V C 2.514 178.697 176.094 0.149 0.000 1.053 273 V CA 1.723 64.081 62.300 0.096 0.000 1.068 273 V CB -0.726 31.141 31.823 0.074 0.000 0.689 273 V HN 0.528 nan 8.190 nan 0.000 0.462 274 G N -0.288 108.594 108.800 0.137 0.000 2.394 274 G HA2 -0.208 3.752 3.960 0.001 0.000 0.215 274 G HA3 -0.208 3.752 3.960 0.001 0.000 0.215 274 G C 1.647 176.706 174.900 0.266 0.000 1.165 274 G CA 0.702 45.919 45.100 0.195 0.000 0.784 274 G HN 0.425 nan 8.290 nan 0.000 0.535 275 K N 0.189 120.709 120.400 0.201 0.000 1.991 275 K HA -0.117 4.203 4.320 0.001 0.000 0.212 275 K C 2.775 179.549 176.600 0.290 0.000 1.049 275 K CA 1.652 58.104 56.287 0.275 0.000 0.932 275 K CB -0.258 32.325 32.500 0.139 0.000 0.717 275 K HN 0.320 nan 8.250 nan 0.000 0.441 276 Q N -0.585 119.336 119.800 0.203 0.000 2.096 276 Q HA -0.272 4.069 4.340 0.001 0.000 0.208 276 Q C 2.066 178.170 176.000 0.172 0.000 0.993 276 Q CA 2.157 58.059 55.803 0.165 0.000 0.862 276 Q CB -0.364 28.452 28.738 0.131 0.000 0.915 276 Q HN 0.396 nan 8.270 nan 0.000 0.416 277 Y N 0.938 121.313 120.300 0.126 0.000 2.145 277 Y HA -0.204 4.345 4.550 -0.000 0.000 0.286 277 Y C 1.824 177.814 175.900 0.150 0.000 1.145 277 Y CA 1.444 59.619 58.100 0.125 0.000 1.148 277 Y CB -0.159 38.373 38.460 0.120 0.000 0.981 277 Y HN 0.012 nan 8.280 nan 0.000 0.507 278 L N -0.214 121.098 121.223 0.148 0.000 2.156 278 L HA -0.150 4.190 4.340 0.001 0.000 0.208 278 L C 2.293 179.133 176.870 -0.049 0.000 1.095 278 L CA 1.409 56.297 54.840 0.081 0.000 0.770 278 L CB -0.431 41.822 42.059 0.323 0.000 0.914 278 L HN 0.268 nan 8.230 nan 0.000 0.439 279 E N -0.199 119.998 120.200 -0.004 0.000 2.028 279 E HA -0.291 4.060 4.350 0.001 0.000 0.191 279 E C 2.120 178.706 176.600 -0.023 0.000 0.988 279 E CA 1.234 57.604 56.400 -0.051 0.000 0.799 279 E CB -0.141 29.587 29.700 0.047 0.000 0.755 279 E HN 0.430 nan 8.360 nan 0.000 0.447 280 Q N 1.048 120.816 119.800 -0.054 0.000 2.112 280 Q HA -0.311 4.030 4.340 0.001 0.000 0.206 280 Q C 2.321 178.244 176.000 -0.129 0.000 0.987 280 Q CA 2.208 57.962 55.803 -0.082 0.000 0.858 280 Q CB -0.203 28.487 28.738 -0.079 0.000 0.905 280 Q HN 0.177 nan 8.270 nan 0.000 0.420 281 Q N -0.346 119.308 119.800 -0.244 0.000 2.119 281 Q HA -0.157 4.183 4.340 0.001 0.000 0.201 281 Q C 1.799 177.782 176.000 -0.028 0.000 0.972 281 Q CA 1.470 57.147 55.803 -0.209 0.000 0.847 281 Q CB -0.847 27.665 28.738 -0.376 0.000 0.903 281 Q HN 0.716 nan 8.270 nan 0.000 0.433 282 F N 0.417 120.275 119.950 -0.154 0.000 2.146 282 F HA -0.004 4.523 4.527 0.001 0.000 0.298 282 F C 1.832 177.581 175.800 -0.084 0.000 1.096 282 F CA 1.487 59.420 58.000 -0.111 0.000 1.275 282 F CB -0.629 38.242 39.000 -0.215 0.000 1.008 282 F HN 0.328 nan 8.300 nan 0.000 0.480 283 L N 1.066 122.167 121.223 -0.204 0.000 1.956 283 L HA -0.285 4.056 4.340 0.001 0.000 0.216 283 L C 2.470 179.190 176.870 -0.251 0.000 1.073 283 L CA 2.150 56.824 54.840 -0.277 0.000 0.762 283 L CB -1.341 40.645 42.059 -0.121 0.000 0.889 283 L HN 0.304 nan 8.230 nan 0.000 0.433 284 Q N -2.008 117.711 119.800 -0.136 0.000 2.173 284 Q HA -0.314 4.026 4.340 0.001 0.000 0.208 284 Q C 2.169 178.120 176.000 -0.080 0.000 0.989 284 Q CA 2.292 58.044 55.803 -0.085 0.000 0.872 284 Q CB -0.662 28.057 28.738 -0.032 0.000 0.909 284 Q HN 0.653 nan 8.270 nan 0.000 0.420 285 Y N 1.769 121.938 120.300 -0.219 0.000 2.242 285 Y HA -0.206 4.343 4.550 -0.000 0.000 0.291 285 Y C 2.488 178.232 175.900 -0.260 0.000 1.137 285 Y CA 1.866 59.846 58.100 -0.200 0.000 1.181 285 Y CB -0.519 37.827 38.460 -0.190 0.000 0.989 285 Y HN 0.194 nan 8.280 nan 0.000 0.527 286 T N -2.757 111.401 114.554 -0.659 0.000 2.951 286 T HA -0.110 4.241 4.350 0.001 0.000 0.268 286 T C 1.487 175.979 174.700 -0.347 0.000 1.073 286 T CA 1.258 62.959 62.100 -0.665 0.000 1.134 286 T CB -0.388 68.038 68.868 -0.737 0.000 0.884 286 T HN 0.240 nan 8.240 nan 0.000 0.479 287 D N 2.026 122.270 120.400 -0.261 0.000 2.078 287 D HA -0.073 4.568 4.640 0.001 0.000 0.193 287 D C 2.209 178.462 176.300 -0.079 0.000 0.990 287 D CA 1.013 54.934 54.000 -0.131 0.000 0.827 287 D CB -0.506 40.232 40.800 -0.102 0.000 0.975 287 D HN 0.301 nan 8.370 nan 0.000 0.451 288 N N 0.648 119.283 118.700 -0.108 0.000 2.137 288 N HA -0.145 4.596 4.740 0.001 0.000 0.190 288 N C 2.022 177.477 175.510 -0.093 0.000 1.017 288 N CA 0.388 53.395 53.050 -0.071 0.000 0.859 288 N CB -0.428 38.037 38.487 -0.037 0.000 1.002 288 N HN 0.259 nan 8.380 nan 0.000 0.428 289 L N -0.592 120.515 121.223 -0.193 0.000 2.056 289 L HA -0.178 4.162 4.340 0.001 0.000 0.207 289 L C 2.231 179.072 176.870 -0.049 0.000 1.078 289 L CA 1.158 55.904 54.840 -0.157 0.000 0.749 289 L CB -0.338 41.567 42.059 -0.257 0.000 0.901 289 L HN 0.135 nan 8.230 nan 0.000 0.433 290 Y N 0.713 120.931 120.300 -0.137 0.000 2.163 290 Y HA -0.298 4.252 4.550 0.000 0.000 0.288 290 Y C 2.888 178.745 175.900 -0.070 0.000 1.136 290 Y CA 1.973 60.018 58.100 -0.091 0.000 1.147 290 Y CB -0.257 38.150 38.460 -0.090 0.000 0.987 290 Y HN -0.138 nan 8.280 nan 0.000 0.509 291 K N 0.697 121.138 120.400 0.069 0.000 2.519 291 K HA -0.084 4.236 4.320 0.001 0.000 0.196 291 K C 1.884 178.452 176.600 -0.053 0.000 1.041 291 K CA 1.490 57.782 56.287 0.008 0.000 0.954 291 K CB -0.723 31.793 32.500 0.026 0.000 0.774 291 K HN 0.596 nan 8.250 nan 0.000 0.480 292 K N 0.021 120.376 120.400 -0.076 0.000 2.273 292 K HA 0.188 4.508 4.320 0.001 0.000 0.206 292 K C 1.929 178.463 176.600 -0.111 0.000 1.072 292 K CA 0.800 57.043 56.287 -0.074 0.000 0.953 292 K CB -0.739 31.731 32.500 -0.049 0.000 1.043 292 K HN 0.368 nan 8.250 nan 0.000 0.477 293 N N 0.512 119.123 118.700 -0.148 0.000 2.080 293 N HA -0.045 4.695 4.740 0.001 0.000 0.189 293 N C 1.519 176.883 175.510 -0.243 0.000 1.036 293 N CA 1.649 54.596 53.050 -0.173 0.000 0.846 293 N CB 0.047 38.434 38.487 -0.168 0.000 1.015 293 N HN 0.266 nan 8.380 nan 0.000 0.423 294 M N -0.080 119.263 119.600 -0.427 0.000 2.428 294 M HA 0.097 4.578 4.480 0.001 0.000 0.239 294 M C 0.475 176.579 176.300 -0.326 0.000 1.121 294 M CA 0.030 55.040 55.300 -0.484 0.000 1.019 294 M CB -1.503 30.511 32.600 -0.978 0.000 1.485 294 M HN 0.309 nan 8.290 nan 0.000 0.484 295 N N 2.329 120.887 118.700 -0.237 0.000 2.689 295 N HA -0.216 4.524 4.740 0.001 0.000 0.263 295 N C 0.413 175.881 175.510 -0.071 0.000 0.987 295 N CA 1.531 54.510 53.050 -0.118 0.000 0.782 295 N CB -1.838 36.600 38.487 -0.082 0.000 0.903 295 N HN 0.674 nan 8.380 nan 0.000 0.547 296 E N -1.582 118.601 120.200 -0.028 0.000 3.130 296 E HA 0.622 4.972 4.350 0.001 0.000 0.264 296 E C 1.799 178.469 176.600 0.117 0.000 1.006 296 E CA 0.297 56.748 56.400 0.085 0.000 0.973 296 E CB 0.379 30.216 29.700 0.227 0.000 3.001 296 E HN 1.274 nan 8.360 nan 0.000 0.586 297 G N 0.558 109.477 108.800 0.199 0.000 2.296 297 G HA2 -0.158 3.803 3.960 0.001 0.000 0.188 297 G HA3 -0.158 3.803 3.960 0.001 0.000 0.188 297 G C 0.592 175.510 174.900 0.031 0.000 1.000 297 G CA 0.059 45.215 45.100 0.094 0.000 0.672 297 G HN 0.181 nan 8.290 nan 0.000 0.483 298 L N 1.125 122.371 121.223 0.039 0.000 2.910 298 L HA 0.599 4.939 4.340 0.001 0.000 0.252 298 L C 1.430 178.271 176.870 -0.049 0.000 1.195 298 L CA 0.343 55.179 54.840 -0.008 0.000 1.003 298 L CB 0.440 42.503 42.059 0.007 0.000 1.328 298 L HN 0.426 nan 8.230 nan 0.000 0.540 299 A N 0.439 123.184 122.820 -0.125 0.000 2.313 299 A HA 0.438 4.758 4.320 0.001 0.000 0.261 299 A C 0.783 178.235 177.584 -0.220 0.000 1.090 299 A CA -0.097 51.809 52.037 -0.217 0.000 0.807 299 A CB 0.264 18.965 19.000 -0.497 0.000 1.055 299 A HN 0.327 nan 8.150 nan 0.000 0.492 300 T N 0.104 114.556 114.554 -0.170 0.000 2.900 300 T HA 0.068 4.419 4.350 0.001 0.000 0.307 300 T C 1.053 175.651 174.700 -0.169 0.000 1.065 300 T CA -0.052 61.969 62.100 -0.131 0.000 1.105 300 T CB 0.257 69.072 68.868 -0.087 0.000 0.979 300 T HN 0.578 nan 8.240 nan 0.000 0.544 301 N N 1.286 119.910 118.700 -0.126 0.000 2.027 301 N HA -0.162 4.578 4.740 0.001 0.000 0.200 301 N C 2.033 177.483 175.510 -0.100 0.000 1.042 301 N CA 1.502 54.482 53.050 -0.117 0.000 0.871 301 N CB -1.165 37.279 38.487 -0.071 0.000 1.063 301 N HN 0.546 nan 8.380 nan 0.000 0.438 302 V N 2.008 121.887 119.914 -0.057 0.000 2.370 302 V HA -0.236 3.885 4.120 0.001 0.000 0.252 302 V C 1.992 178.068 176.094 -0.030 0.000 1.068 302 V CA 1.590 63.878 62.300 -0.021 0.000 1.061 302 V CB -0.472 31.346 31.823 -0.007 0.000 0.656 302 V HN 0.360 nan 8.190 nan 0.000 0.455 303 N N -0.144 118.506 118.700 -0.083 0.000 2.300 303 N HA -0.076 4.664 4.740 0.001 0.000 0.179 303 N C 1.821 177.244 175.510 -0.146 0.000 1.016 303 N CA 0.936 53.933 53.050 -0.088 0.000 0.876 303 N CB -0.143 38.280 38.487 -0.107 0.000 0.979 303 N HN 0.540 nan 8.380 nan 0.000 0.432 304 K N 0.499 120.725 120.400 -0.289 0.000 2.147 304 K HA 0.029 4.349 4.320 0.001 0.000 0.205 304 K C 1.844 178.406 176.600 -0.063 0.000 1.049 304 K CA 0.720 56.824 56.287 -0.306 0.000 0.936 304 K CB 0.128 32.414 32.500 -0.357 0.000 0.722 304 K HN 0.165 nan 8.250 nan 0.000 0.446 305 I N 0.840 121.390 120.570 -0.033 0.000 2.480 305 I HA -0.179 3.991 4.170 0.001 0.000 0.251 305 I C 1.949 178.173 176.117 0.178 0.000 1.124 305 I CA 0.891 62.234 61.300 0.072 0.000 1.444 305 I CB 0.053 38.104 38.000 0.085 0.000 1.098 305 I HN 0.064 nan 8.210 nan 0.000 0.428 306 K N 0.153 120.628 120.400 0.124 0.000 2.057 306 K HA -0.151 4.169 4.320 0.001 0.000 0.206 306 K C 2.299 178.974 176.600 0.125 0.000 1.050 306 K CA 1.559 57.924 56.287 0.131 0.000 0.935 306 K CB -0.285 32.275 32.500 0.100 0.000 0.715 306 K HN 0.136 nan 8.250 nan 0.000 0.439 307 S N 0.801 116.582 115.700 0.136 0.000 2.383 307 S HA -0.196 4.275 4.470 0.001 0.000 0.229 307 S C 1.783 176.446 174.600 0.106 0.000 1.030 307 S CA 1.146 59.433 58.200 0.145 0.000 1.002 307 S CB -0.304 63.075 63.200 0.298 0.000 0.829 307 S HN 0.363 nan 8.310 nan 0.000 0.467 308 F N 1.700 121.642 119.950 -0.014 0.000 2.084 308 F HA 0.086 4.613 4.527 0.000 0.000 0.296 308 F C 1.910 177.688 175.800 -0.038 0.000 1.111 308 F CA 1.511 59.473 58.000 -0.063 0.000 1.224 308 F CB -0.521 38.399 39.000 -0.132 0.000 0.991 308 F HN 0.197 nan 8.300 nan 0.000 0.471 309 I N 0.499 121.044 120.570 -0.041 0.000 2.335 309 I HA -0.304 3.867 4.170 0.001 0.000 0.251 309 I C 2.277 178.360 176.117 -0.056 0.000 1.129 309 I CA 1.847 63.089 61.300 -0.096 0.000 1.402 309 I CB -0.555 37.532 38.000 0.143 0.000 1.069 309 I HN 0.359 nan 8.210 nan 0.000 0.424 310 D N 0.257 120.639 120.400 -0.031 0.000 2.234 310 D HA -0.133 4.507 4.640 0.001 0.000 0.205 310 D C 1.816 178.038 176.300 -0.128 0.000 0.962 310 D CA 1.733 55.709 54.000 -0.040 0.000 0.855 310 D CB 0.285 41.075 40.800 -0.016 0.000 0.951 310 D HN 0.365 nan 8.370 nan 0.000 0.500 311 T N -2.778 111.672 114.554 -0.174 0.000 3.086 311 T HA 0.188 4.538 4.350 0.001 0.000 0.250 311 T C 1.256 175.826 174.700 -0.217 0.000 1.074 311 T CA -0.191 61.805 62.100 -0.173 0.000 0.988 311 T CB 0.417 69.206 68.868 -0.133 0.000 0.988 311 T HN -0.135 nan 8.240 nan 0.000 0.530 312 K N 0.635 120.849 120.400 -0.310 0.000 2.469 312 K HA 0.426 4.746 4.320 0.001 0.000 0.204 312 K C 0.389 176.944 176.600 -0.076 0.000 1.047 312 K CA -0.018 56.103 56.287 -0.277 0.000 1.072 312 K CB 0.923 33.040 32.500 -0.639 0.000 0.863 312 K HN 0.377 nan 8.250 nan 0.000 0.530 313 L N 0.347 121.572 121.223 0.004 0.000 3.439 313 L HA 0.282 4.622 4.340 0.001 0.000 0.313 313 L C -0.445 176.513 176.870 0.147 0.000 1.292 313 L CA -0.040 54.927 54.840 0.211 0.000 1.020 313 L CB 0.602 42.934 42.059 0.455 0.000 1.424 313 L HN -0.165 nan 8.230 nan 0.000 0.612 314 K N 0.178 120.550 120.400 -0.047 0.000 2.426 314 K HA 0.358 4.678 4.320 0.001 0.000 0.251 314 K C -0.227 176.321 176.600 -0.087 0.000 0.941 314 K CA -0.848 55.344 56.287 -0.157 0.000 0.808 314 K CB 2.854 35.161 32.500 -0.323 0.000 1.265 314 K HN -0.317 nan 8.250 nan 0.000 0.432 315 K N 1.382 121.736 120.400 -0.078 0.000 2.469 315 K HA 0.179 4.500 4.320 0.001 0.000 0.201 315 K C 0.482 177.049 176.600 -0.054 0.000 1.028 315 K CA 0.870 57.132 56.287 -0.042 0.000 1.170 315 K CB -0.203 32.285 32.500 -0.019 0.000 0.874 315 K HN 0.799 nan 8.250 nan 0.000 0.507 316 A N -0.448 122.324 122.820 -0.080 0.000 2.097 316 A HA -0.288 4.033 4.320 0.001 0.000 0.229 316 A C 1.074 178.606 177.584 -0.087 0.000 0.571 316 A CA 1.562 53.553 52.037 -0.077 0.000 1.156 316 A CB -2.071 16.898 19.000 -0.052 0.000 1.413 316 A HN 0.468 nan 8.150 nan 0.000 0.705 317 D N 0.697 121.051 120.400 -0.077 0.000 2.417 317 D HA 0.253 4.894 4.640 0.001 0.000 0.225 317 D C 1.515 177.752 176.300 -0.106 0.000 0.983 317 D CA 2.691 56.648 54.000 -0.072 0.000 0.949 317 D CB -0.745 40.025 40.800 -0.050 0.000 0.879 317 D HN 1.888 nan 8.370 nan 0.000 0.520 318 K N -0.346 119.961 120.400 -0.155 0.000 3.130 318 K HA -0.224 4.097 4.320 0.001 0.000 0.282 318 K C 0.587 177.012 176.600 -0.291 0.000 1.145 318 K CA 1.238 57.384 56.287 -0.234 0.000 0.831 318 K CB -2.978 29.420 32.500 -0.171 0.000 1.226 318 K HN 0.558 nan 8.250 nan 0.000 0.478 319 S N -0.984 114.586 115.700 -0.217 0.000 2.429 319 S HA 0.647 5.118 4.470 0.001 0.000 0.302 319 S C 0.040 174.567 174.600 -0.123 0.000 1.115 319 S CA -0.701 57.414 58.200 -0.142 0.000 1.095 319 S CB 0.394 63.573 63.200 -0.036 0.000 0.987 319 S HN 0.553 nan 8.310 nan 0.000 0.474 320 W N 2.774 124.085 121.300 0.018 0.000 2.314 320 W HA 0.184 4.844 4.660 0.000 0.000 0.339 320 W C 1.406 177.944 176.519 0.030 0.000 1.293 320 W CA -0.376 56.987 57.345 0.029 0.000 1.288 320 W CB 0.460 29.945 29.460 0.042 0.000 1.186 320 W HN 0.730 nan 8.180 nan 0.000 0.566 321 K N 2.529 123.103 120.400 0.291 0.000 2.305 321 K HA 0.089 4.410 4.320 0.001 0.000 0.199 321 K C 0.481 177.181 176.600 0.167 0.000 1.047 321 K CA 0.521 56.913 56.287 0.174 0.000 0.976 321 K CB 0.357 32.940 32.500 0.138 0.000 0.765 321 K HN 0.423 nan 8.250 nan 0.000 0.474 322 I N 1.385 122.085 120.570 0.216 0.000 2.410 322 I HA 0.118 4.289 4.170 0.001 0.000 0.286 322 I C -0.881 175.302 176.117 0.110 0.000 1.009 322 I CA -0.470 60.914 61.300 0.140 0.000 1.111 322 I CB 1.483 39.569 38.000 0.143 0.000 1.262 322 I HN -0.076 nan 8.210 nan 0.000 0.443 323 S N 6.370 122.112 115.700 0.070 0.000 2.585 323 S HA 0.263 4.733 4.470 0.001 0.000 0.273 323 S C 0.556 175.160 174.600 0.006 0.000 1.339 323 S CA -0.219 58.010 58.200 0.047 0.000 1.028 323 S CB 0.504 63.726 63.200 0.036 0.000 0.906 323 S HN 0.876 nan 8.310 nan 0.000 0.528 324 N N -0.648 118.047 118.700 -0.008 0.000 2.952 324 N HA -0.137 4.603 4.740 0.001 0.000 0.245 324 N C -0.997 174.486 175.510 -0.045 0.000 1.029 324 N CA 0.239 53.271 53.050 -0.029 0.000 0.870 324 N CB -1.466 36.996 38.487 -0.041 0.000 1.121 324 N HN 0.496 nan 8.380 nan 0.000 0.559 325 L N 2.005 123.177 121.223 -0.085 0.000 2.418 325 L HA 0.124 4.465 4.340 0.001 0.000 0.274 325 L C 0.825 177.625 176.870 -0.117 0.000 1.135 325 L CA 0.336 55.093 54.840 -0.138 0.000 0.870 325 L CB 0.429 42.257 42.059 -0.386 0.000 1.154 325 L HN -0.043 nan 8.230 nan 0.000 0.462 326 T N 3.627 118.186 114.554 0.008 0.000 2.817 326 T HA 0.284 4.634 4.350 0.001 0.000 0.295 326 T C 0.114 174.784 174.700 -0.050 0.000 0.958 326 T CA -0.384 61.744 62.100 0.048 0.000 1.157 326 T CB 0.548 69.558 68.868 0.237 0.000 0.898 326 T HN 0.439 nan 8.240 nan 0.000 0.536 327 V N 1.646 121.524 119.914 -0.061 0.000 2.864 327 V HA 0.921 5.041 4.120 0.001 0.000 0.314 327 V C -0.858 175.232 176.094 -0.007 0.000 1.073 327 V CA -1.160 61.098 62.300 -0.071 0.000 0.956 327 V CB 1.799 33.580 31.823 -0.071 0.000 1.023 327 V HN 0.674 nan 8.190 nan 0.000 0.435 328 I N 2.049 122.624 120.570 0.007 0.000 2.752 328 I HA 0.490 4.661 4.170 0.001 0.000 0.295 328 I C 0.533 176.677 176.117 0.045 0.000 1.219 328 I CA -0.188 61.124 61.300 0.020 0.000 1.030 328 I CB 2.067 40.064 38.000 -0.006 0.000 1.259 328 I HN 0.898 nan 8.210 nan 0.000 0.423 329 N N 3.686 122.415 118.700 0.049 0.000 2.661 329 N HA -0.269 4.472 4.740 0.001 0.000 0.249 329 N C 0.965 176.529 175.510 0.089 0.000 1.142 329 N CA 0.780 53.864 53.050 0.057 0.000 0.727 329 N CB -0.470 38.043 38.487 0.043 0.000 1.099 329 N HN 1.206 nan 8.380 nan 0.000 0.558 330 G N -1.299 107.577 108.800 0.127 0.000 2.141 330 G HA2 -0.229 3.732 3.960 0.001 0.000 0.242 330 G HA3 -0.229 3.732 3.960 0.001 0.000 0.242 330 G C -0.046 175.046 174.900 0.320 0.000 0.982 330 G CA 0.326 45.553 45.100 0.213 0.000 0.662 330 G HN 1.017 nan 8.290 nan 0.000 0.527 331 V N -2.877 117.162 119.914 0.209 0.000 2.709 331 V HA 0.876 4.997 4.120 0.001 0.000 0.308 331 V C -2.500 173.603 176.094 0.015 0.000 1.062 331 V CA -2.395 60.021 62.300 0.193 0.000 0.901 331 V CB 2.494 34.403 31.823 0.143 0.000 1.003 331 V HN 0.130 nan 8.190 nan 0.000 0.425 332 P HA 0.263 nan 4.420 nan 0.000 0.268 332 P C 1.251 178.486 177.300 -0.108 0.000 1.541 332 P CA -0.181 62.777 63.100 -0.237 0.000 1.093 332 P CB 0.757 32.193 31.700 -0.440 0.000 1.551 333 I N -0.570 119.925 120.570 -0.124 0.000 2.194 333 I HA -0.194 3.976 4.170 0.001 0.000 0.246 333 I C 1.360 177.361 176.117 -0.193 0.000 1.093 333 I CA 1.323 62.505 61.300 -0.197 0.000 1.355 333 I CB -0.831 36.965 38.000 -0.340 0.000 1.046 333 I HN 0.123 nan 8.210 nan 0.000 0.413 334 W N 1.326 122.629 121.300 0.004 0.000 2.436 334 W HA 0.147 4.807 4.660 0.000 0.000 0.284 334 W C 2.877 179.400 176.519 0.007 0.000 1.225 334 W CA 1.040 58.409 57.345 0.041 0.000 1.271 334 W CB -0.307 29.180 29.460 0.045 0.000 1.114 334 W HN 0.183 nan 8.180 nan 0.000 0.559 335 A N 0.303 123.133 122.820 0.016 0.000 1.877 335 A HA -0.200 4.121 4.320 0.001 0.000 0.216 335 A C 1.919 179.551 177.584 0.080 0.000 1.186 335 A CA 1.658 53.457 52.037 -0.398 0.000 0.620 335 A CB -1.078 17.585 19.000 -0.563 0.000 0.822 335 A HN 0.265 nan 8.150 nan 0.000 0.443 336 L N 0.048 121.343 121.223 0.120 0.000 2.042 336 L HA -0.128 4.212 4.340 0.001 0.000 0.210 336 L C 2.206 179.197 176.870 0.202 0.000 1.076 336 L CA 1.741 56.696 54.840 0.192 0.000 0.749 336 L CB -0.369 41.752 42.059 0.103 0.000 0.893 336 L HN 0.450 nan 8.230 nan 0.000 0.432 337 I N -1.430 119.243 120.570 0.171 0.000 2.252 337 I HA -0.295 3.876 4.170 0.001 0.000 0.245 337 I C 2.363 178.635 176.117 0.258 0.000 1.102 337 I CA 1.485 62.913 61.300 0.214 0.000 1.385 337 I CB -0.406 37.712 38.000 0.195 0.000 1.064 337 I HN 0.333 nan 8.210 nan 0.000 0.414 338 F N 1.281 121.288 119.950 0.096 0.000 2.134 338 F HA -0.262 4.266 4.527 0.001 0.000 0.299 338 F C 2.179 177.897 175.800 -0.137 0.000 1.097 338 F CA 1.674 59.669 58.000 -0.009 0.000 1.264 338 F CB -0.491 38.477 39.000 -0.054 0.000 1.001 338 F HN -0.022 nan 8.300 nan 0.000 0.479 339 Y N -0.800 119.572 120.300 0.121 0.000 2.516 339 Y HA -0.083 4.467 4.550 0.001 0.000 0.291 339 Y C 1.916 177.812 175.900 -0.005 0.000 1.131 339 Y CA 0.011 58.091 58.100 -0.033 0.000 1.281 339 Y CB -0.185 38.432 38.460 0.262 0.000 1.013 339 Y HN 0.096 nan 8.280 nan 0.000 0.554 340 L N -0.533 120.787 121.223 0.161 0.000 2.044 340 L HA -0.176 4.165 4.340 0.001 0.000 0.205 340 L C 2.211 179.127 176.870 0.077 0.000 1.075 340 L CA 1.434 56.353 54.840 0.132 0.000 0.747 340 L CB -1.079 41.070 42.059 0.150 0.000 0.903 340 L HN 0.249 nan 8.230 nan 0.000 0.435 341 L N -0.922 120.340 121.223 0.066 0.000 1.990 341 L HA -0.278 4.062 4.340 0.001 0.000 0.213 341 L C 2.671 179.487 176.870 -0.090 0.000 1.072 341 L CA 1.320 56.222 54.840 0.104 0.000 0.755 341 L CB -0.383 41.775 42.059 0.165 0.000 0.889 341 L HN 0.249 nan 8.230 nan 0.000 0.432 342 R N 0.417 120.547 120.500 -0.616 0.000 2.303 342 R HA -0.131 4.209 4.340 0.001 0.000 0.225 342 R C 1.570 177.453 176.300 -0.695 0.000 1.114 342 R CA 1.367 56.670 56.100 -1.329 0.000 1.007 342 R CB -0.304 29.063 30.300 -1.555 0.000 0.861 342 R HN 0.377 nan 8.270 nan 0.000 0.471 343 A N -1.649 121.074 122.820 -0.162 0.000 2.348 343 A HA 0.413 4.733 4.320 0.001 0.000 0.224 343 A C 1.342 178.948 177.584 0.037 0.000 1.227 343 A CA 0.352 52.440 52.037 0.084 0.000 0.885 343 A CB -0.050 19.062 19.000 0.187 0.000 0.933 343 A HN 0.418 nan 8.150 nan 0.000 0.506 344 G N -0.710 108.118 108.800 0.046 0.000 2.143 344 G HA2 -0.203 3.758 3.960 0.001 0.000 0.249 344 G HA3 -0.203 3.758 3.960 0.001 0.000 0.249 344 G C 0.160 175.113 174.900 0.088 0.000 0.981 344 G CA 0.290 45.452 45.100 0.103 0.000 0.665 344 G HN 0.508 nan 8.290 nan 0.000 0.528 345 L N 1.459 122.731 121.223 0.082 0.000 2.598 345 L HA 0.406 4.747 4.340 0.001 0.000 0.241 345 L C 1.965 178.888 176.870 0.088 0.000 1.244 345 L CA -0.651 54.229 54.840 0.066 0.000 1.198 345 L CB -0.088 42.002 42.059 0.052 0.000 1.448 345 L HN 0.202 nan 8.230 nan 0.000 0.406 346 I N -0.062 120.563 120.570 0.092 0.000 2.353 346 I HA -0.235 3.936 4.170 0.001 0.000 0.248 346 I C 2.564 178.672 176.117 -0.015 0.000 1.119 346 I CA 0.982 62.344 61.300 0.103 0.000 1.417 346 I CB -0.237 37.830 38.000 0.112 0.000 1.078 346 I HN 0.559 nan 8.210 nan 0.000 0.421 347 K N 1.557 121.940 120.400 -0.028 0.000 2.032 347 K HA -0.243 4.077 4.320 0.001 0.000 0.209 347 K C 1.973 178.540 176.600 -0.055 0.000 1.048 347 K CA 1.971 58.221 56.287 -0.062 0.000 0.927 347 K CB 0.075 32.550 32.500 -0.042 0.000 0.712 347 K HN 0.197 nan 8.250 nan 0.000 0.441 348 E N 0.221 120.413 120.200 -0.014 0.000 2.047 348 E HA -0.098 4.252 4.350 0.001 0.000 0.191 348 E C 1.851 178.464 176.600 0.022 0.000 0.987 348 E CA 1.266 57.667 56.400 0.001 0.000 0.799 348 E CB -0.272 29.439 29.700 0.018 0.000 0.752 348 E HN 0.433 nan 8.360 nan 0.000 0.449 349 A N 0.769 123.632 122.820 0.072 0.000 1.948 349 A HA -0.204 4.117 4.320 0.001 0.000 0.220 349 A C 2.164 179.812 177.584 0.106 0.000 1.177 349 A CA 1.463 53.601 52.037 0.168 0.000 0.636 349 A CB -0.686 18.523 19.000 0.349 0.000 0.815 349 A HN 0.270 nan 8.150 nan 0.000 0.449 350 L N -0.214 120.924 121.223 -0.142 0.000 2.056 350 L HA -0.184 4.157 4.340 0.001 0.000 0.207 350 L C 2.524 179.313 176.870 -0.135 0.000 1.078 350 L CA 2.262 56.897 54.840 -0.342 0.000 0.749 350 L CB -0.684 41.089 42.059 -0.477 0.000 0.901 350 L HN 0.521 nan 8.230 nan 0.000 0.433 351 Q N -1.384 118.366 119.800 -0.084 0.000 2.084 351 Q HA -0.183 4.158 4.340 0.001 0.000 0.202 351 Q C 2.181 178.164 176.000 -0.029 0.000 0.978 351 Q CA 1.835 57.607 55.803 -0.052 0.000 0.844 351 Q CB -0.338 28.377 28.738 -0.038 0.000 0.898 351 Q HN 0.436 nan 8.270 nan 0.000 0.426 352 V N 0.905 120.813 119.914 -0.009 0.000 2.343 352 V HA -0.246 3.874 4.120 0.001 0.000 0.247 352 V C 2.148 178.223 176.094 -0.032 0.000 1.051 352 V CA 1.363 63.654 62.300 -0.013 0.000 1.036 352 V CB -0.466 31.358 31.823 0.003 0.000 0.654 352 V HN 0.285 nan 8.190 nan 0.000 0.451 353 L N -0.210 121.015 121.223 0.002 0.000 2.046 353 L HA -0.122 4.218 4.340 0.001 0.000 0.208 353 L C 2.379 179.250 176.870 0.002 0.000 1.077 353 L CA 1.782 56.628 54.840 0.010 0.000 0.747 353 L CB -0.500 41.662 42.059 0.172 0.000 0.896 353 L HN 0.129 nan 8.230 nan 0.000 0.432 354 V N -0.402 119.506 119.914 -0.009 0.000 2.287 354 V HA -0.309 3.811 4.120 0.001 0.000 0.248 354 V C 2.599 178.687 176.094 -0.011 0.000 1.053 354 V CA 1.877 64.170 62.300 -0.013 0.000 1.027 354 V CB -0.639 31.165 31.823 -0.032 0.000 0.646 354 V HN 0.551 nan 8.190 nan 0.000 0.447 355 E N 1.186 121.375 120.200 -0.019 0.000 2.058 355 E HA -0.221 4.130 4.350 0.001 0.000 0.194 355 E C 1.710 178.300 176.600 -0.017 0.000 0.997 355 E CA 1.834 58.224 56.400 -0.017 0.000 0.801 355 E CB -0.321 29.368 29.700 -0.019 0.000 0.746 355 E HN 0.629 nan 8.360 nan 0.000 0.450 356 N N -0.269 118.413 118.700 -0.030 0.000 2.314 356 N HA -0.083 4.657 4.740 0.001 0.000 0.200 356 N C 1.092 176.595 175.510 -0.011 0.000 1.135 356 N CA 0.489 53.519 53.050 -0.033 0.000 0.835 356 N CB 0.442 38.883 38.487 -0.077 0.000 0.989 356 N HN 0.061 nan 8.380 nan 0.000 0.478 357 K N 1.357 121.760 120.400 0.006 0.000 2.163 357 K HA -0.176 4.144 4.320 0.001 0.000 0.210 357 K C 1.763 178.390 176.600 0.044 0.000 1.048 357 K CA 1.478 57.785 56.287 0.034 0.000 0.928 357 K CB -0.476 32.044 32.500 0.035 0.000 0.716 357 K HN 0.393 nan 8.250 nan 0.000 0.459 358 A N 0.338 123.176 122.820 0.030 0.000 1.997 358 A HA 0.155 4.475 4.320 0.001 0.000 0.212 358 A C 1.740 179.346 177.584 0.036 0.000 1.178 358 A CA 0.730 52.788 52.037 0.034 0.000 0.698 358 A CB -0.202 18.813 19.000 0.025 0.000 0.842 358 A HN 0.625 nan 8.150 nan 0.000 0.458 359 N N 0.909 119.626 118.700 0.028 0.000 2.666 359 N HA -0.018 4.722 4.740 0.001 0.000 0.194 359 N C 0.596 176.136 175.510 0.050 0.000 1.220 359 N CA 0.869 53.937 53.050 0.030 0.000 0.928 359 N CB -0.548 37.948 38.487 0.014 0.000 0.997 359 N HN 0.814 nan 8.380 nan 0.000 0.447 367 F N 1.878 121.912 119.950 0.139 0.000 2.307 367 F HA -0.069 4.458 4.527 0.000 0.000 0.301 367 F C 1.549 177.420 175.800 0.118 0.000 1.076 367 F CA 1.414 59.426 58.000 0.020 0.000 1.383 367 F CB 0.086 38.907 39.000 -0.297 0.000 1.055 367 F HN 0.507 nan 8.300 nan 0.000 0.526 368 L N 0.123 121.441 121.223 0.159 0.000 2.141 368 L HA -0.102 4.238 4.340 0.001 0.000 0.209 368 L C 2.135 179.016 176.870 0.019 0.000 1.094 368 L CA 2.208 57.112 54.840 0.107 0.000 0.763 368 L CB -1.410 40.745 42.059 0.160 0.000 0.908 368 L HN 0.118 nan 8.230 nan 0.000 0.437 369 T N -1.377 113.200 114.554 0.039 0.000 2.746 369 T HA -0.231 4.119 4.350 0.001 0.000 0.267 369 T C 1.635 176.351 174.700 0.026 0.000 1.039 369 T CA 1.960 64.081 62.100 0.035 0.000 1.142 369 T CB -0.481 68.426 68.868 0.065 0.000 0.866 369 T HN 0.493 nan 8.240 nan 0.000 0.444 370 Y N 0.850 121.068 120.300 -0.137 0.000 2.220 370 Y HA -0.004 4.547 4.550 0.001 0.000 0.291 370 Y C 2.031 177.848 175.900 -0.138 0.000 1.129 370 Y CA 0.505 58.512 58.100 -0.155 0.000 1.161 370 Y CB -0.504 37.824 38.460 -0.221 0.000 0.997 370 Y HN 0.141 nan 8.280 nan 0.000 0.522 371 F N 1.690 121.302 119.950 -0.562 0.000 2.120 371 F HA -0.239 4.288 4.527 0.000 0.000 0.300 371 F C 2.040 177.673 175.800 -0.277 0.000 1.095 371 F CA 1.884 59.562 58.000 -0.535 0.000 1.249 371 F CB -0.709 37.974 39.000 -0.528 0.000 0.995 371 F HN 0.072 nan 8.300 nan 0.000 0.480 372 K N -0.034 120.279 120.400 -0.146 0.000 2.063 372 K HA -0.160 4.161 4.320 0.001 0.000 0.208 372 K C 2.248 178.760 176.600 -0.146 0.000 1.048 372 K CA 1.377 57.551 56.287 -0.189 0.000 0.928 372 K CB -0.601 31.822 32.500 -0.128 0.000 0.713 372 K HN 0.289 nan 8.250 nan 0.000 0.442 373 A N 0.803 123.533 122.820 -0.150 0.000 1.940 373 A HA -0.157 4.163 4.320 0.001 0.000 0.219 373 A C 1.165 178.659 177.584 -0.149 0.000 1.176 373 A CA 1.080 53.023 52.037 -0.155 0.000 0.631 373 A CB -0.344 18.550 19.000 -0.176 0.000 0.814 373 A HN 0.454 nan 8.150 nan 0.000 0.446 406 P HA -0.250 nan 4.420 nan 0.000 0.216 406 P C 1.059 178.138 177.300 -0.368 0.000 1.154 406 P CA 1.559 64.485 63.100 -0.291 0.000 0.865 406 P CB -0.067 31.436 31.700 -0.328 0.000 0.789 407 Y N -0.260 119.898 120.300 -0.237 0.000 2.314 407 Y HA -0.031 4.519 4.550 0.000 0.000 0.293 407 Y C 3.120 178.893 175.900 -0.211 0.000 1.129 407 Y CA 0.965 58.910 58.100 -0.258 0.000 1.201 407 Y CB -0.544 37.845 38.460 -0.119 0.000 0.999 407 Y HN -0.168 nan 8.280 nan 0.000 0.541 408 R N 0.360 120.715 120.500 -0.242 0.000 2.120 408 R HA -0.179 4.162 4.340 0.001 0.000 0.234 408 R C 2.073 178.016 176.300 -0.596 0.000 1.123 408 R CA 1.203 56.801 56.100 -0.836 0.000 0.975 408 R CB -0.498 28.859 30.300 -1.572 0.000 0.866 408 R HN 0.373 nan 8.270 nan 0.000 0.446 409 L N 0.702 121.663 121.223 -0.437 0.000 2.093 409 L HA -0.046 4.294 4.340 0.001 0.000 0.208 409 L C 2.259 178.989 176.870 -0.233 0.000 1.085 409 L CA 2.030 56.659 54.840 -0.351 0.000 0.755 409 L CB -0.501 41.377 42.059 -0.303 0.000 0.904 409 L HN 0.188 nan 8.230 nan 0.000 0.435 410 A N -1.333 121.363 122.820 -0.206 0.000 1.898 410 A HA -0.109 4.212 4.320 0.001 0.000 0.216 410 A C 2.237 179.843 177.584 0.037 0.000 1.181 410 A CA 1.824 53.803 52.037 -0.096 0.000 0.620 410 A CB -0.988 17.893 19.000 -0.197 0.000 0.819 410 A HN 0.273 nan 8.150 nan 0.000 0.442 411 V N -1.552 118.393 119.914 0.051 0.000 2.307 411 V HA -0.259 3.862 4.120 0.001 0.000 0.245 411 V C 2.349 178.390 176.094 -0.089 0.000 1.045 411 V CA 1.916 64.252 62.300 0.060 0.000 1.024 411 V CB -1.022 30.873 31.823 0.120 0.000 0.651 411 V HN 0.630 nan 8.190 nan 0.000 0.449 412 Y N 0.701 120.742 120.300 -0.432 0.000 2.128 412 Y HA -0.263 4.287 4.550 0.001 0.000 0.284 412 Y C 2.616 178.429 175.900 -0.145 0.000 1.154 412 Y CA 2.286 60.155 58.100 -0.385 0.000 1.149 412 Y CB -0.349 37.802 38.460 -0.516 0.000 0.976 412 Y HN 0.153 nan 8.280 nan 0.000 0.505 413 K N 0.330 120.729 120.400 -0.003 0.000 2.032 413 K HA -0.206 4.114 4.320 0.001 0.000 0.209 413 K C 1.872 178.439 176.600 -0.056 0.000 1.048 413 K CA 1.813 58.072 56.287 -0.046 0.000 0.927 413 K CB -0.430 32.018 32.500 -0.087 0.000 0.712 413 K HN 0.310 nan 8.250 nan 0.000 0.441 414 L N 0.806 121.997 121.223 -0.053 0.000 2.027 414 L HA -0.178 4.162 4.340 0.001 0.000 0.206 414 L C 2.489 179.272 176.870 -0.146 0.000 1.074 414 L CA 0.626 55.406 54.840 -0.100 0.000 0.745 414 L CB -0.462 41.554 42.059 -0.072 0.000 0.898 414 L HN 0.209 nan 8.230 nan 0.000 0.433 415 I N 0.380 120.848 120.570 -0.170 0.000 2.202 415 I HA -0.134 4.036 4.170 0.001 0.000 0.242 415 I C 2.678 178.816 176.117 0.035 0.000 1.091 415 I CA 1.776 62.875 61.300 -0.334 0.000 1.368 415 I CB -1.987 35.846 38.000 -0.279 0.000 1.058 415 I HN 0.234 nan 8.210 nan 0.000 0.410 416 G N -0.333 108.517 108.800 0.083 0.000 2.422 416 G HA2 -0.246 3.715 3.960 0.001 0.000 0.218 416 G HA3 -0.246 3.715 3.960 0.001 0.000 0.218 416 G C 1.219 176.113 174.900 -0.009 0.000 1.140 416 G CA 0.516 45.608 45.100 -0.013 0.000 0.775 416 G HN 0.412 nan 8.290 nan 0.000 0.545 417 R N -1.016 119.476 120.500 -0.014 0.000 3.423 417 R HA -0.188 4.153 4.340 0.001 0.000 0.271 417 R C 0.015 176.290 176.300 -0.041 0.000 1.093 417 R CA 0.290 56.375 56.100 -0.025 0.000 0.730 417 R CB -2.450 27.862 30.300 0.019 0.000 1.190 417 R HN 0.582 nan 8.270 nan 0.000 0.437 418 C N -1.710 117.558 119.300 -0.053 0.000 2.401 418 C HA 0.647 5.108 4.460 0.001 0.000 0.356 418 C C 0.798 175.741 174.990 -0.079 0.000 1.192 418 C CA -0.224 58.759 59.018 -0.059 0.000 2.028 418 C CB 1.668 29.377 27.740 -0.052 0.000 2.344 418 C HN 0.678 nan 8.230 nan 0.000 0.525 419 D N -0.656 119.698 120.400 -0.077 0.000 2.699 419 D HA -0.142 4.499 4.640 0.001 0.000 0.239 419 D C 0.371 176.606 176.300 -0.109 0.000 1.136 419 D CA 0.367 54.314 54.000 -0.088 0.000 0.668 419 D CB -0.966 39.777 40.800 -0.095 0.000 1.060 419 D HN 0.602 nan 8.370 nan 0.000 0.429 420 L N -0.139 121.019 121.223 -0.108 0.000 2.362 420 L HA -0.024 4.316 4.340 0.001 0.000 0.219 420 L C 2.522 179.292 176.870 -0.167 0.000 1.134 420 L CA 1.456 56.202 54.840 -0.158 0.000 0.807 420 L CB -0.395 41.588 42.059 -0.127 0.000 0.927 420 L HN 0.124 nan 8.230 nan 0.000 0.447 421 S N -0.343 115.292 115.700 -0.108 0.000 2.400 421 S HA -0.128 4.342 4.470 0.001 0.000 0.232 421 S C 1.669 176.215 174.600 -0.089 0.000 1.025 421 S CA 1.482 59.631 58.200 -0.084 0.000 0.993 421 S CB -0.519 62.648 63.200 -0.055 0.000 0.808 421 S HN 0.590 nan 8.310 nan 0.000 0.478 422 R N 1.492 121.930 120.500 -0.103 0.000 3.256 422 R HA 0.447 4.788 4.340 0.001 0.000 0.263 422 R C 0.642 176.859 176.300 -0.138 0.000 1.388 422 R CA -0.312 55.731 56.100 -0.095 0.000 1.580 422 R CB -0.937 29.314 30.300 -0.083 0.000 1.255 422 R HN 0.340 nan 8.270 nan 0.000 0.640 423 K N 0.298 120.589 120.400 -0.181 0.000 2.209 423 K HA -0.041 4.279 4.320 0.001 0.000 0.204 423 K C -0.050 176.413 176.600 -0.228 0.000 1.048 423 K CA 1.097 57.197 56.287 -0.313 0.000 0.940 423 K CB 0.208 32.426 32.500 -0.470 0.000 0.729 423 K HN 0.421 nan 8.250 nan 0.000 0.451 424 N N 0.901 119.564 118.700 -0.062 0.000 2.419 424 N HA 0.221 4.962 4.740 0.001 0.000 0.277 424 N C -0.627 174.878 175.510 -0.009 0.000 1.006 424 N CA -0.349 52.724 53.050 0.039 0.000 0.923 424 N CB 1.112 39.704 38.487 0.175 0.000 1.140 424 N HN 0.086 nan 8.380 nan 0.000 0.488 425 I N -0.652 119.910 120.570 -0.014 0.000 2.782 425 I HA 0.394 4.564 4.170 0.001 0.000 0.279 425 I C -2.160 173.921 176.117 -0.060 0.000 1.247 425 I CA -1.895 59.365 61.300 -0.068 0.000 1.062 425 I CB 1.709 39.633 38.000 -0.126 0.000 1.421 425 I HN 0.120 nan 8.210 nan 0.000 0.558 426 P HA -0.128 nan 4.420 nan 0.000 0.216 426 P C 1.908 179.179 177.300 -0.047 0.000 1.150 426 P CA 1.745 64.845 63.100 0.000 0.000 0.837 426 P CB 0.390 32.091 31.700 0.001 0.000 0.786 427 A N -0.011 122.745 122.820 -0.106 0.000 1.917 427 A HA -0.195 4.126 4.320 0.001 0.000 0.219 427 A C 2.087 179.554 177.584 -0.196 0.000 1.182 427 A CA 2.448 54.403 52.037 -0.136 0.000 0.633 427 A CB -1.770 17.124 19.000 -0.175 0.000 0.819 427 A HN 0.251 nan 8.150 nan 0.000 0.448 428 V N -3.391 116.317 119.914 -0.344 0.000 3.633 428 V HA 0.202 4.322 4.120 0.001 0.000 0.283 428 V C 0.346 176.383 176.094 -0.095 0.000 1.305 428 V CA 0.704 62.717 62.300 -0.479 0.000 1.153 428 V CB -0.785 30.352 31.823 -1.143 0.000 0.950 428 V HN 0.266 nan 8.190 nan 0.000 0.432 429 T N 2.441 117.008 114.554 0.023 0.000 2.781 429 T HA 0.609 4.959 4.350 0.001 0.000 0.305 429 T C 0.581 175.378 174.700 0.161 0.000 1.001 429 T CA -0.129 62.071 62.100 0.167 0.000 0.950 429 T CB 1.324 70.320 68.868 0.215 0.000 0.955 429 T HN 0.303 nan 8.240 nan 0.000 0.471 430 L N 2.069 123.419 121.223 0.212 0.000 2.693 430 L HA 0.306 4.646 4.340 0.001 0.000 0.235 430 L C 1.081 178.033 176.870 0.137 0.000 1.127 430 L CA -0.233 54.715 54.840 0.180 0.000 0.914 430 L CB 0.150 42.358 42.059 0.248 0.000 1.193 430 L HN 0.663 nan 8.230 nan 0.000 0.502 431 S N -2.235 113.549 115.700 0.140 0.000 2.615 431 S HA 0.437 4.907 4.470 0.001 0.000 0.269 431 S C 0.493 175.161 174.600 0.114 0.000 1.161 431 S CA -0.778 57.470 58.200 0.079 0.000 0.817 431 S CB 1.050 64.267 63.200 0.029 0.000 1.131 431 S HN -0.006 nan 8.310 nan 0.000 0.467 432 I N 1.104 121.704 120.570 0.050 0.000 2.315 432 I HA -0.118 4.053 4.170 0.001 0.000 0.248 432 I C 2.432 178.693 176.117 0.240 0.000 1.117 432 I CA 1.404 62.795 61.300 0.153 0.000 1.404 432 I CB -0.457 37.615 38.000 0.121 0.000 1.071 432 I HN 0.733 nan 8.210 nan 0.000 0.419 433 E N 1.055 121.272 120.200 0.028 0.000 2.097 433 E HA -0.247 4.103 4.350 0.001 0.000 0.196 433 E C 1.698 178.452 176.600 0.257 0.000 1.000 433 E CA 1.605 58.072 56.400 0.113 0.000 0.804 433 E CB -0.204 29.484 29.700 -0.021 0.000 0.740 433 E HN 0.447 nan 8.360 nan 0.000 0.454 434 D N -0.831 119.710 120.400 0.235 0.000 2.144 434 D HA -0.160 4.481 4.640 0.001 0.000 0.199 434 D C 1.499 178.079 176.300 0.467 0.000 0.984 434 D CA 0.698 54.882 54.000 0.306 0.000 0.834 434 D CB -0.499 40.472 40.800 0.284 0.000 0.955 434 D HN 0.280 nan 8.370 nan 0.000 0.465 435 W N 1.417 122.884 121.300 0.279 0.000 2.355 435 W HA -0.092 4.568 4.660 0.000 0.000 0.309 435 W C 1.987 178.749 176.519 0.405 0.000 1.206 435 W CA 1.200 58.740 57.345 0.325 0.000 1.284 435 W CB -0.399 29.216 29.460 0.258 0.000 1.145 435 W HN -0.091 nan 8.180 nan 0.000 0.502 436 L N -0.923 120.643 121.223 0.572 0.000 2.017 436 L HA -0.195 4.145 4.340 0.001 0.000 0.208 436 L C 2.277 179.266 176.870 0.199 0.000 1.073 436 L CA 1.902 56.998 54.840 0.426 0.000 0.745 436 L CB -1.386 41.011 42.059 0.563 0.000 0.894 436 L HN 0.191 nan 8.230 nan 0.000 0.432 437 W N 0.609 121.973 121.300 0.107 0.000 2.338 437 W HA -0.232 4.428 4.660 0.001 0.000 0.304 437 W C 2.563 179.051 176.519 -0.052 0.000 1.212 437 W CA 1.435 58.793 57.345 0.023 0.000 1.264 437 W CB -0.038 29.434 29.460 0.020 0.000 1.142 437 W HN -0.009 nan 8.180 nan 0.000 0.512 438 M N -0.233 119.406 119.600 0.066 0.000 2.073 438 M HA -0.273 4.207 4.480 0.001 0.000 0.258 438 M C 1.906 177.949 176.300 -0.429 0.000 1.070 438 M CA 2.177 57.356 55.300 -0.201 0.000 1.103 438 M CB -2.012 30.581 32.600 -0.011 0.000 1.321 438 M HN 0.121 nan 8.290 nan 0.000 0.405 439 H N 0.330 119.059 119.070 -0.568 0.000 2.290 439 H HA -0.059 4.498 4.556 0.001 0.000 0.298 439 H C 2.163 177.094 175.328 -0.662 0.000 1.087 439 H CA 1.720 57.358 56.048 -0.684 0.000 1.291 439 H CB -0.526 28.480 29.762 -1.260 0.000 1.369 439 H HN 0.232 nan 8.280 nan 0.000 0.492 440 L N -0.578 120.281 121.223 -0.606 0.000 2.043 440 L HA -0.252 4.088 4.340 0.001 0.000 0.212 440 L C 2.318 178.953 176.870 -0.391 0.000 1.075 440 L CA 0.932 55.496 54.840 -0.459 0.000 0.752 440 L CB -0.348 41.538 42.059 -0.289 0.000 0.891 440 L HN 0.356 nan 8.230 nan 0.000 0.432 441 M N -0.776 118.505 119.600 -0.533 0.000 2.195 441 M HA -0.219 4.262 4.480 0.001 0.000 0.260 441 M C 2.122 178.268 176.300 -0.256 0.000 1.066 441 M CA 1.765 56.776 55.300 -0.481 0.000 1.089 441 M CB -0.796 31.356 32.600 -0.746 0.000 1.377 441 M HN 0.292 nan 8.290 nan 0.000 0.411 442 L N -1.162 119.925 121.223 -0.226 0.000 2.591 442 L HA 0.148 4.488 4.340 0.001 0.000 0.228 442 L C 0.901 177.785 176.870 0.024 0.000 1.133 442 L CA -0.241 54.543 54.840 -0.093 0.000 0.880 442 L CB 0.084 42.075 42.059 -0.115 0.000 1.033 442 L HN 0.112 nan 8.230 nan 0.000 0.450 443 I N 0.459 120.990 120.570 -0.065 0.000 2.677 443 I HA 0.117 4.287 4.170 0.001 0.000 0.305 443 I C 0.333 176.407 176.117 -0.071 0.000 0.988 443 I CA -0.573 60.653 61.300 -0.122 0.000 1.260 443 I CB 1.025 38.862 38.000 -0.271 0.000 1.410 443 I HN 0.194 nan 8.210 nan 0.000 0.523 456 R N 0.350 120.882 120.500 0.054 0.000 2.451 456 R HA 0.782 5.123 4.340 0.001 0.000 0.307 456 R C -1.147 175.248 176.300 0.158 0.000 0.965 456 R CA -0.571 55.576 56.100 0.078 0.000 0.865 456 R CB 0.438 30.770 30.300 0.053 0.000 1.174 456 R HN 0.856 nan 8.270 nan 0.000 0.455 457 Y N 2.326 122.618 120.300 -0.014 0.000 2.349 457 Y HA 0.508 5.058 4.550 0.000 0.000 0.324 457 Y C -0.105 175.793 175.900 -0.004 0.000 1.005 457 Y CA -1.301 56.794 58.100 -0.009 0.000 1.240 457 Y CB 1.778 40.214 38.460 -0.040 0.000 1.117 457 Y HN 0.811 nan 8.280 nan 0.000 0.463 458 S N 4.604 120.172 115.700 -0.219 0.000 2.672 458 S HA 0.296 4.767 4.470 0.001 0.000 0.276 458 S C 0.890 175.279 174.600 -0.352 0.000 1.207 458 S CA -0.693 57.371 58.200 -0.227 0.000 1.002 458 S CB 1.565 64.714 63.200 -0.084 0.000 0.998 458 S HN 0.758 nan 8.310 nan 0.000 0.542 459 L N 1.300 122.399 121.223 -0.208 0.000 1.989 459 L HA -0.056 4.284 4.340 0.001 0.000 0.211 459 L C 2.306 179.139 176.870 -0.062 0.000 1.071 459 L CA 2.173 56.942 54.840 -0.118 0.000 0.749 459 L CB -1.454 40.562 42.059 -0.072 0.000 0.890 459 L HN 0.857 nan 8.230 nan 0.000 0.431 460 E N 0.106 120.269 120.200 -0.062 0.000 2.147 460 E HA -0.244 4.106 4.350 0.001 0.000 0.199 460 E C 1.923 178.523 176.600 0.001 0.000 1.005 460 E CA 1.623 58.002 56.400 -0.036 0.000 0.810 460 E CB -0.472 29.213 29.700 -0.026 0.000 0.736 460 E HN 0.589 nan 8.360 nan 0.000 0.460 461 D N -0.539 119.865 120.400 0.008 0.000 2.117 461 D HA -0.141 4.499 4.640 0.001 0.000 0.197 461 D C 1.703 178.144 176.300 0.236 0.000 0.987 461 D CA 0.681 54.757 54.000 0.127 0.000 0.829 461 D CB -0.357 40.563 40.800 0.200 0.000 0.961 461 D HN 0.143 nan 8.370 nan 0.000 0.460 462 F N 1.961 121.850 119.950 -0.102 0.000 2.134 462 F HA -0.166 4.362 4.527 0.000 0.000 0.299 462 F C 2.313 178.137 175.800 0.039 0.000 1.097 462 F CA 1.444 59.447 58.000 0.006 0.000 1.264 462 F CB -0.499 38.401 39.000 -0.168 0.000 1.001 462 F HN -0.060 nan 8.300 nan 0.000 0.479 463 Q N -0.138 119.593 119.800 -0.116 0.000 2.084 463 Q HA -0.219 4.121 4.340 0.001 0.000 0.202 463 Q C 2.006 177.952 176.000 -0.091 0.000 0.978 463 Q CA 1.541 57.217 55.803 -0.213 0.000 0.844 463 Q CB -0.415 28.230 28.738 -0.154 0.000 0.898 463 Q HN 0.385 nan 8.270 nan 0.000 0.426 464 N N 0.972 119.676 118.700 0.005 0.000 2.036 464 N HA -0.175 4.566 4.740 0.001 0.000 0.195 464 N C 1.815 177.388 175.510 0.105 0.000 1.037 464 N CA 1.292 54.374 53.050 0.053 0.000 0.855 464 N CB -0.352 38.184 38.487 0.082 0.000 1.033 464 N HN 0.255 nan 8.380 nan 0.000 0.423 465 I N 0.820 121.503 120.570 0.188 0.000 2.163 465 I HA -0.266 3.904 4.170 0.001 0.000 0.243 465 I C 2.109 178.463 176.117 0.394 0.000 1.085 465 I CA 0.973 62.474 61.300 0.335 0.000 1.347 465 I CB -0.274 38.025 38.000 0.499 0.000 1.044 465 I HN 0.076 nan 8.210 nan 0.000 0.408 466 I N 0.679 121.365 120.570 0.193 0.000 2.113 466 I HA -0.320 3.850 4.170 0.001 0.000 0.238 466 I C 2.485 178.770 176.117 0.279 0.000 1.070 466 I CA 1.791 63.214 61.300 0.204 0.000 1.332 466 I CB -0.234 37.609 38.000 -0.261 0.000 1.044 466 I HN 0.120 nan 8.210 nan 0.000 0.402 467 I N -0.238 120.404 120.570 0.121 0.000 2.226 467 I HA -0.337 3.833 4.170 0.001 0.000 0.245 467 I C 2.773 178.974 176.117 0.140 0.000 1.100 467 I CA 1.445 62.825 61.300 0.133 0.000 1.374 467 I CB -0.420 37.609 38.000 0.047 0.000 1.057 467 I HN 0.247 nan 8.210 nan 0.000 0.413 468 S N 0.327 116.090 115.700 0.106 0.000 2.365 468 S HA -0.267 4.203 4.470 0.001 0.000 0.225 468 S C 2.129 176.705 174.600 -0.041 0.000 1.039 468 S CA 1.793 59.993 58.200 -0.001 0.000 1.033 468 S CB -0.446 62.714 63.200 -0.068 0.000 0.887 468 S HN 0.447 nan 8.310 nan 0.000 0.447 469 Y N 1.410 121.784 120.300 0.123 0.000 2.314 469 Y HA 0.239 4.789 4.550 0.001 0.000 0.293 469 Y C 1.810 177.744 175.900 0.057 0.000 1.129 469 Y CA 0.543 58.682 58.100 0.065 0.000 1.201 469 Y CB -0.574 37.889 38.460 0.005 0.000 0.999 469 Y HN 0.587 nan 8.280 nan 0.000 0.541 470 G N 0.345 109.313 108.800 0.280 0.000 2.855 470 G HA2 -0.240 3.720 3.960 0.001 0.000 0.352 470 G HA3 -0.240 3.720 3.960 0.001 0.000 0.352 470 G C -1.800 172.928 174.900 -0.287 0.000 1.415 470 G CA -0.404 44.705 45.100 0.015 0.000 0.871 470 G HN 0.126 nan 8.290 nan 0.000 0.543 471 P HA -0.132 nan 4.420 nan 0.000 0.219 471 P C 2.018 179.170 177.300 -0.247 0.000 1.146 471 P CA 2.122 64.624 63.100 -0.996 0.000 0.808 471 P CB -0.163 31.150 31.700 -0.645 0.000 0.779 472 S N 0.296 115.908 115.700 -0.146 0.000 2.380 472 S HA -0.179 4.291 4.470 0.001 0.000 0.229 472 S C 1.745 176.291 174.600 -0.091 0.000 1.043 472 S CA 1.157 59.316 58.200 -0.068 0.000 1.038 472 S CB -0.547 62.627 63.200 -0.044 0.000 0.872 472 S HN 0.021 nan 8.310 nan 0.000 0.456 473 R N -0.432 119.970 120.500 -0.163 0.000 2.427 473 R HA 0.261 4.601 4.340 0.001 0.000 0.262 473 R C -0.148 175.760 176.300 -0.652 0.000 0.943 473 R CA 0.083 55.939 56.100 -0.407 0.000 1.081 473 R CB -0.578 29.394 30.300 -0.547 0.000 1.166 473 R HN 0.523 nan 8.270 nan 0.000 0.534 474 F N -0.517 119.406 119.950 -0.046 0.000 2.735 474 F HA 0.221 4.748 4.527 0.000 0.000 0.308 474 F C 1.526 177.383 175.800 0.096 0.000 1.112 474 F CA -0.312 57.721 58.000 0.054 0.000 1.235 474 F CB 0.355 39.487 39.000 0.221 0.000 1.027 474 F HN -0.111 nan 8.300 nan 0.000 0.528 475 S N 2.142 117.922 115.700 0.133 0.000 4.155 475 S HA -0.387 4.083 4.470 0.001 0.000 0.538 475 S C 1.032 175.745 174.600 0.190 0.000 1.768 475 S CA 2.521 60.794 58.200 0.122 0.000 4.139 475 S CB -1.047 62.207 63.200 0.090 0.000 0.908 475 S HN 0.666 nan 8.310 nan 0.000 0.461 476 N N 0.689 119.515 118.700 0.210 0.000 2.538 476 N HA 0.305 5.046 4.740 0.001 0.000 0.291 476 N C -0.517 175.192 175.510 0.332 0.000 1.323 476 N CA -0.102 53.084 53.050 0.227 0.000 0.934 476 N CB 0.167 38.743 38.487 0.150 0.000 1.255 476 N HN 0.584 nan 8.380 nan 0.000 0.509 477 Y N -0.571 119.853 120.300 0.208 0.000 2.768 477 Y HA 0.265 4.815 4.550 -0.000 0.000 0.249 477 Y C 0.346 176.336 175.900 0.150 0.000 1.146 477 Y CA -0.986 57.226 58.100 0.187 0.000 1.171 477 Y CB 0.000 38.581 38.460 0.201 0.000 1.249 477 Y HN 0.109 nan 8.280 nan 0.000 0.567 478 Y N -0.380 119.915 120.300 -0.009 0.000 2.286 478 Y HA -0.118 4.432 4.550 0.000 0.000 0.293 478 Y C 1.936 177.606 175.900 -0.383 0.000 1.124 478 Y CA 1.532 59.458 58.100 -0.289 0.000 1.178 478 Y CB -0.117 38.096 38.460 -0.413 0.000 1.010 478 Y HN 0.274 nan 8.280 nan 0.000 0.536 479 L N 0.516 121.644 121.223 -0.158 0.000 2.017 479 L HA -0.245 4.095 4.340 0.001 0.000 0.208 479 L C 2.055 178.731 176.870 -0.324 0.000 1.073 479 L CA 1.964 56.731 54.840 -0.121 0.000 0.745 479 L CB -0.973 41.203 42.059 0.194 0.000 0.894 479 L HN 0.217 nan 8.230 nan 0.000 0.432 480 Q N -1.141 118.391 119.800 -0.446 0.000 2.050 480 Q HA -0.167 4.173 4.340 0.001 0.000 0.202 480 Q C 2.099 177.814 176.000 -0.477 0.000 0.980 480 Q CA 2.490 57.941 55.803 -0.585 0.000 0.840 480 Q CB -0.731 27.278 28.738 -1.215 0.000 0.898 480 Q HN 0.493 nan 8.270 nan 0.000 0.424 481 T N 0.980 115.229 114.554 -0.508 0.000 2.684 481 T HA -0.141 4.209 4.350 0.001 0.000 0.267 481 T C 1.741 176.141 174.700 -0.499 0.000 1.036 481 T CA 1.141 62.992 62.100 -0.414 0.000 1.148 481 T CB -0.347 68.147 68.868 -0.625 0.000 0.863 481 T HN 0.161 nan 8.240 nan 0.000 0.436 482 L N 0.292 121.120 121.223 -0.659 0.000 2.012 482 L HA -0.100 4.241 4.340 0.001 0.000 0.210 482 L C 2.532 179.173 176.870 -0.381 0.000 1.073 482 L CA 1.335 55.831 54.840 -0.573 0.000 0.748 482 L CB -0.642 41.054 42.059 -0.603 0.000 0.891 482 L HN 0.274 nan 8.230 nan 0.000 0.431 483 L N -0.769 120.280 121.223 -0.291 0.000 2.056 483 L HA -0.210 4.130 4.340 0.001 0.000 0.207 483 L C 2.502 179.295 176.870 -0.129 0.000 1.078 483 L CA 0.990 55.738 54.840 -0.153 0.000 0.749 483 L CB -0.403 41.560 42.059 -0.159 0.000 0.901 483 L HN 0.251 nan 8.230 nan 0.000 0.433 484 L N -0.354 120.778 121.223 -0.153 0.000 2.093 484 L HA -0.162 4.178 4.340 0.001 0.000 0.208 484 L C 2.650 179.502 176.870 -0.029 0.000 1.085 484 L CA 1.518 56.331 54.840 -0.046 0.000 0.755 484 L CB -0.458 41.629 42.059 0.047 0.000 0.904 484 L HN 0.392 nan 8.230 nan 0.000 0.435 485 S N -0.874 114.749 115.700 -0.128 0.000 2.562 485 S HA 0.112 4.582 4.470 0.001 0.000 0.221 485 S C 1.452 175.897 174.600 -0.259 0.000 0.975 485 S CA 0.344 58.463 58.200 -0.135 0.000 0.918 485 S CB 0.252 63.260 63.200 -0.319 0.000 0.772 485 S HN 0.531 nan 8.310 nan 0.000 0.531 486 G N 1.150 109.697 108.800 -0.422 0.000 2.160 486 G HA2 -0.212 3.748 3.960 0.001 0.000 0.244 486 G HA3 -0.212 3.748 3.960 0.001 0.000 0.244 486 G C -0.069 174.199 174.900 -1.053 0.000 1.022 486 G CA 0.164 44.709 45.100 -0.926 0.000 0.741 486 G HN 0.559 nan 8.290 nan 0.000 0.508 487 L N 0.822 121.634 121.223 -0.685 0.000 2.536 487 L HA 0.345 4.685 4.340 0.001 0.000 0.242 487 L C 1.790 178.454 176.870 -0.343 0.000 1.280 487 L CA -0.835 53.731 54.840 -0.456 0.000 1.221 487 L CB -0.461 41.395 42.059 -0.338 0.000 1.449 487 L HN 0.359 nan 8.230 nan 0.000 0.405 488 Y N 0.637 120.860 120.300 -0.127 0.000 2.145 488 Y HA -0.186 4.364 4.550 0.001 0.000 0.286 488 Y C 2.469 178.311 175.900 -0.097 0.000 1.145 488 Y CA 0.903 58.924 58.100 -0.130 0.000 1.148 488 Y CB -0.262 38.120 38.460 -0.129 0.000 0.981 488 Y HN 0.548 nan 8.280 nan 0.000 0.507 489 G N 0.573 109.414 108.800 0.068 0.000 2.446 489 G HA2 -0.239 3.721 3.960 0.001 0.000 0.217 489 G HA3 -0.239 3.721 3.960 0.001 0.000 0.217 489 G C 1.597 176.518 174.900 0.035 0.000 1.168 489 G CA 1.227 46.354 45.100 0.046 0.000 0.771 489 G HN 0.314 nan 8.290 nan 0.000 0.551 490 L N 0.614 121.833 121.223 -0.007 0.000 2.093 490 L HA -0.049 4.291 4.340 0.001 0.000 0.208 490 L C 3.451 180.337 176.870 0.028 0.000 1.085 490 L CA 0.890 55.734 54.840 0.006 0.000 0.755 490 L CB -0.585 41.444 42.059 -0.050 0.000 0.904 490 L HN 0.317 nan 8.230 nan 0.000 0.435 491 A N 0.792 123.591 122.820 -0.036 0.000 1.892 491 A HA -0.247 4.073 4.320 0.001 0.000 0.218 491 A C 2.196 179.808 177.584 0.045 0.000 1.188 491 A CA 1.985 54.012 52.037 -0.017 0.000 0.631 491 A CB -0.747 18.212 19.000 -0.069 0.000 0.822 491 A HN 0.347 nan 8.150 nan 0.000 0.447 492 I N -0.305 120.289 120.570 0.040 0.000 2.142 492 I HA -0.253 3.917 4.170 0.001 0.000 0.240 492 I C 2.124 178.361 176.117 0.200 0.000 1.078 492 I CA 1.578 62.916 61.300 0.063 0.000 1.343 492 I CB -0.526 37.536 38.000 0.104 0.000 1.046 492 I HN 0.253 nan 8.210 nan 0.000 0.405 493 D N 0.145 120.677 120.400 0.220 0.000 2.154 493 D HA -0.293 4.348 4.640 0.001 0.000 0.190 493 D C 1.996 178.428 176.300 0.220 0.000 1.003 493 D CA 1.843 55.975 54.000 0.220 0.000 0.849 493 D CB -0.507 40.379 40.800 0.143 0.000 0.942 493 D HN 0.362 nan 8.370 nan 0.000 0.446 494 Y N 1.575 121.922 120.300 0.078 0.000 2.181 494 Y HA -0.214 4.337 4.550 0.001 0.000 0.288 494 Y C 2.446 178.299 175.900 -0.079 0.000 1.146 494 Y CA 1.975 60.131 58.100 0.092 0.000 1.164 494 Y CB -0.611 37.955 38.460 0.177 0.000 0.982 494 Y HN -0.074 nan 8.280 nan 0.000 0.515 495 T N -0.441 113.964 114.554 -0.247 0.000 2.833 495 T HA -0.232 4.118 4.350 0.001 0.000 0.269 495 T C 1.535 175.758 174.700 -0.794 0.000 1.054 495 T CA 1.678 63.303 62.100 -0.792 0.000 1.135 495 T CB -0.685 67.912 68.868 -0.452 0.000 0.869 495 T HN 0.449 nan 8.240 nan 0.000 0.466 496 Y N 1.879 121.957 120.300 -0.369 0.000 2.333 496 Y HA -0.170 4.381 4.550 0.002 0.000 0.290 496 Y C 2.996 178.752 175.900 -0.240 0.000 1.144 496 Y CA 1.326 59.285 58.100 -0.234 0.000 1.228 496 Y CB -0.532 37.869 38.460 -0.099 0.000 0.985 496 Y HN 0.345 nan 8.280 nan 0.000 0.542 497 T N -2.453 112.009 114.554 -0.154 0.000 3.035 497 T HA -0.169 4.181 4.350 0.001 0.000 0.268 497 T C 1.011 175.702 174.700 -0.015 0.000 1.109 497 T CA 1.208 63.268 62.100 -0.066 0.000 1.119 497 T CB -0.821 68.027 68.868 -0.034 0.000 0.900 497 T HN 0.499 nan 8.240 nan 0.000 0.503 498 F N -0.605 119.298 119.950 -0.077 0.000 2.856 498 F HA 0.683 5.209 4.527 -0.001 0.000 0.338 498 F C 0.206 176.003 175.800 -0.005 0.000 1.100 498 F CA -0.763 57.208 58.000 -0.049 0.000 1.150 498 F CB 0.526 39.472 39.000 -0.090 0.000 1.101 498 F HN 0.185 nan 8.300 nan 0.000 0.548 499 S N 1.090 116.690 115.700 -0.166 0.000 2.240 499 S HA 0.064 4.534 4.470 0.001 0.000 0.234 499 S C 0.195 174.708 174.600 -0.144 0.000 0.850 499 S CA -0.225 57.951 58.200 -0.040 0.000 1.015 499 S CB 0.066 63.332 63.200 0.110 0.000 1.268 499 S HN 0.485 nan 8.310 nan 0.000 0.384 500 E N 4.066 124.245 120.200 -0.036 0.000 2.153 500 E HA -0.164 4.187 4.350 0.001 0.000 0.194 500 E C 1.690 178.231 176.600 -0.099 0.000 0.988 500 E CA 1.468 57.814 56.400 -0.090 0.000 0.811 500 E CB -0.050 29.758 29.700 0.180 0.000 0.746 500 E HN 0.837 nan 8.360 nan 0.000 0.466 501 M N 0.565 120.222 119.600 0.096 0.000 2.132 501 M HA -0.159 4.322 4.480 0.001 0.000 0.263 501 M C 1.319 177.791 176.300 0.288 0.000 1.065 501 M CA 1.789 57.222 55.300 0.222 0.000 1.122 501 M CB 0.082 32.887 32.600 0.342 0.000 1.365 501 M HN 0.063 nan 8.290 nan 0.000 0.411 502 D N 0.355 120.888 120.400 0.222 0.000 2.178 502 D HA -0.081 4.560 4.640 0.001 0.000 0.202 502 D C 1.909 178.194 176.300 -0.025 0.000 0.974 502 D CA 1.401 55.535 54.000 0.223 0.000 0.841 502 D CB -0.075 40.861 40.800 0.226 0.000 0.953 502 D HN 0.491 nan 8.370 nan 0.000 0.478 503 A N 1.068 123.722 122.820 -0.277 0.000 1.883 503 A HA -0.159 4.161 4.320 0.001 0.000 0.217 503 A C 2.587 179.956 177.584 -0.357 0.000 1.186 503 A CA 1.221 52.962 52.037 -0.492 0.000 0.624 503 A CB -0.890 17.418 19.000 -1.155 0.000 0.822 503 A HN 0.117 nan 8.150 nan 0.000 0.444 504 V N -0.293 119.410 119.914 -0.351 0.000 2.282 504 V HA -0.345 3.775 4.120 0.001 0.000 0.249 504 V C 2.383 178.349 176.094 -0.213 0.000 1.057 504 V CA 2.669 64.798 62.300 -0.284 0.000 1.032 504 V CB -1.096 30.362 31.823 -0.608 0.000 0.645 504 V HN 0.769 nan 8.190 nan 0.000 0.447 505 H N -1.554 117.480 119.070 -0.060 0.000 2.436 505 H HA -0.011 4.547 4.556 0.004 0.000 0.294 505 H C 1.920 177.214 175.328 -0.055 0.000 1.048 505 H CA 1.021 57.047 56.048 -0.036 0.000 1.353 505 H CB -0.063 29.602 29.762 -0.161 0.000 1.414 505 H HN 0.231 nan 8.280 nan 0.000 0.536 506 L N 0.306 121.476 121.223 -0.088 0.000 2.083 506 L HA -0.119 4.221 4.340 0.001 0.000 0.209 506 L C 2.417 179.106 176.870 -0.301 0.000 1.083 506 L CA 1.424 56.003 54.840 -0.434 0.000 0.752 506 L CB -0.528 41.258 42.059 -0.456 0.000 0.899 506 L HN 0.315 nan 8.230 nan 0.000 0.433 507 A N -0.649 122.087 122.820 -0.141 0.000 1.930 507 A HA -0.161 4.159 4.320 0.001 0.000 0.217 507 A C 2.247 179.789 177.584 -0.069 0.000 1.175 507 A CA 1.656 53.648 52.037 -0.076 0.000 0.627 507 A CB -0.736 18.318 19.000 0.091 0.000 0.815 507 A HN 0.420 nan 8.150 nan 0.000 0.443 508 I N -0.246 120.386 120.570 0.102 0.000 2.226 508 I HA -0.227 3.944 4.170 0.001 0.000 0.245 508 I C 2.714 178.846 176.117 0.025 0.000 1.100 508 I CA 1.163 62.577 61.300 0.190 0.000 1.374 508 I CB -0.650 37.524 38.000 0.289 0.000 1.057 508 I HN 0.399 nan 8.210 nan 0.000 0.413 509 G N 1.191 110.000 108.800 0.015 0.000 2.446 509 G HA2 -0.213 3.747 3.960 0.001 0.000 0.217 509 G HA3 -0.213 3.747 3.960 0.001 0.000 0.217 509 G C 1.684 176.470 174.900 -0.189 0.000 1.168 509 G CA 0.664 45.751 45.100 -0.022 0.000 0.771 509 G HN 0.285 nan 8.290 nan 0.000 0.551 510 L N 0.738 121.780 121.223 -0.302 0.000 2.083 510 L HA -0.003 4.337 4.340 0.001 0.000 0.209 510 L C 3.377 180.045 176.870 -0.337 0.000 1.083 510 L CA 0.959 55.575 54.840 -0.373 0.000 0.752 510 L CB -0.402 41.404 42.059 -0.421 0.000 0.899 510 L HN 0.292 nan 8.230 nan 0.000 0.433 511 A N 0.076 122.674 122.820 -0.370 0.000 1.902 511 A HA -0.216 4.105 4.320 0.001 0.000 0.217 511 A C 2.522 179.987 177.584 -0.198 0.000 1.181 511 A CA 1.892 53.673 52.037 -0.427 0.000 0.623 511 A CB -0.735 17.717 19.000 -0.913 0.000 0.818 511 A HN 0.480 nan 8.150 nan 0.000 0.443 512 S N -0.698 114.945 115.700 -0.094 0.000 2.507 512 S HA 0.062 4.532 4.470 0.001 0.000 0.235 512 S C 1.436 176.023 174.600 -0.022 0.000 0.988 512 S CA 1.092 59.314 58.200 0.036 0.000 0.944 512 S CB -0.414 62.803 63.200 0.028 0.000 0.762 512 S HN 0.428 nan 8.310 nan 0.000 0.526 513 L N 0.155 121.314 121.223 -0.107 0.000 2.607 513 L HA 0.333 4.673 4.340 0.001 0.000 0.228 513 L C 0.172 176.962 176.870 -0.133 0.000 1.123 513 L CA -0.198 54.569 54.840 -0.121 0.000 0.890 513 L CB -0.087 41.863 42.059 -0.181 0.000 1.103 513 L HN 0.116 nan 8.230 nan 0.000 0.468 514 K N 0.984 121.301 120.400 -0.139 0.000 3.335 514 K HA -0.141 4.179 4.320 0.001 0.000 0.271 514 K C -0.906 175.605 176.600 -0.148 0.000 1.105 514 K CA 0.603 56.818 56.287 -0.120 0.000 0.799 514 K CB -1.845 30.613 32.500 -0.070 0.000 1.309 514 K HN 0.365 nan 8.250 nan 0.000 0.469 534 F N 2.696 122.670 119.950 0.038 0.000 2.075 534 F HA 0.134 4.661 4.527 -0.000 0.000 0.297 534 F C 2.379 178.218 175.800 0.065 0.000 1.113 534 F CA 2.281 60.312 58.000 0.052 0.000 1.218 534 F CB -0.568 38.456 39.000 0.040 0.000 0.984 534 F HN 0.194 nan 8.300 nan 0.000 0.472 535 A N 0.028 122.834 122.820 -0.023 0.000 1.948 535 A HA -0.290 4.031 4.320 0.001 0.000 0.220 535 A C 2.117 179.658 177.584 -0.072 0.000 1.177 535 A CA 2.113 54.076 52.037 -0.124 0.000 0.636 535 A CB -1.088 17.892 19.000 -0.033 0.000 0.815 535 A HN 0.523 nan 8.150 nan 0.000 0.449 536 N N -0.192 118.506 118.700 -0.003 0.000 2.250 536 N HA 0.002 4.743 4.740 0.001 0.000 0.181 536 N C 1.492 177.026 175.510 0.040 0.000 1.017 536 N CA 1.136 54.195 53.050 0.015 0.000 0.866 536 N CB -0.362 38.140 38.487 0.026 0.000 0.985 536 N HN 0.523 nan 8.380 nan 0.000 0.429 537 I N 0.330 120.945 120.570 0.075 0.000 2.163 537 I HA -0.287 3.883 4.170 0.001 0.000 0.243 537 I C 1.870 178.057 176.117 0.117 0.000 1.085 537 I CA 0.961 62.351 61.300 0.150 0.000 1.347 537 I CB -0.152 37.995 38.000 0.246 0.000 1.044 537 I HN 0.144 nan 8.210 nan 0.000 0.408 538 L N 0.068 121.287 121.223 -0.007 0.000 2.072 538 L HA -0.105 4.235 4.340 0.001 0.000 0.205 538 L C 2.836 179.757 176.870 0.084 0.000 1.079 538 L CA 1.102 55.970 54.840 0.047 0.000 0.752 538 L CB -0.770 41.224 42.059 -0.108 0.000 0.906 538 L HN 0.190 nan 8.230 nan 0.000 0.436 539 A N 0.557 123.386 122.820 0.014 0.000 1.908 539 A HA -0.230 4.090 4.320 0.001 0.000 0.218 539 A C 2.074 179.648 177.584 -0.017 0.000 1.181 539 A CA 2.102 54.133 52.037 -0.009 0.000 0.627 539 A CB -0.597 18.393 19.000 -0.017 0.000 0.818 539 A HN 0.436 nan 8.150 nan 0.000 0.445 540 N N -1.447 117.272 118.700 0.032 0.000 2.142 540 N HA -0.150 4.590 4.740 0.001 0.000 0.186 540 N C 1.540 177.090 175.510 0.066 0.000 1.023 540 N CA 1.628 54.703 53.050 0.042 0.000 0.852 540 N CB -0.679 37.855 38.487 0.077 0.000 0.998 540 N HN 0.653 nan 8.380 nan 0.000 0.424 541 Y N 1.678 121.986 120.300 0.013 0.000 2.333 541 Y HA -0.098 4.451 4.550 -0.001 0.000 0.290 541 Y C 2.133 177.994 175.900 -0.065 0.000 1.144 541 Y CA 1.184 59.312 58.100 0.046 0.000 1.228 541 Y CB -0.494 38.010 38.460 0.073 0.000 0.985 541 Y HN -0.038 nan 8.280 nan 0.000 0.542 542 T N 0.329 114.684 114.554 -0.332 0.000 2.904 542 T HA -0.123 4.228 4.350 0.001 0.000 0.267 542 T C 1.793 175.952 174.700 -0.902 0.000 1.059 542 T CA 1.208 62.764 62.100 -0.906 0.000 1.137 542 T CB -0.076 68.522 68.868 -0.449 0.000 0.879 542 T HN 0.334 nan 8.240 nan 0.000 0.467 543 K N 1.303 121.441 120.400 -0.437 0.000 2.107 543 K HA -0.161 4.160 4.320 0.001 0.000 0.211 543 K C 2.561 179.001 176.600 -0.266 0.000 1.049 543 K CA 1.917 58.038 56.287 -0.276 0.000 0.927 543 K CB -0.237 32.186 32.500 -0.129 0.000 0.714 543 K HN 0.457 nan 8.250 nan 0.000 0.452 544 S N 0.401 115.917 115.700 -0.307 0.000 2.470 544 S HA -0.073 4.398 4.470 0.001 0.000 0.225 544 S C 1.476 175.977 174.600 -0.166 0.000 1.006 544 S CA 0.348 58.438 58.200 -0.183 0.000 0.934 544 S CB -0.271 62.852 63.200 -0.128 0.000 0.778 544 S HN 0.421 nan 8.310 nan 0.000 0.517 545 F N -0.162 119.631 119.950 -0.261 0.000 2.683 545 F HA 0.610 5.140 4.527 0.004 0.000 0.306 545 F C 1.535 177.264 175.800 -0.119 0.000 1.102 545 F CA -1.323 56.524 58.000 -0.255 0.000 1.244 545 F CB -0.040 38.667 39.000 -0.489 0.000 1.029 545 F HN -0.041 nan 8.300 nan 0.000 0.545 546 R N -0.217 120.023 120.500 -0.433 0.000 2.096 546 R HA -0.120 4.220 4.340 0.001 0.000 0.235 546 R C 1.170 177.268 176.300 -0.337 0.000 1.127 546 R CA 2.096 57.933 56.100 -0.439 0.000 0.968 546 R CB -0.332 29.633 30.300 -0.558 0.000 0.861 546 R HN 0.458 nan 8.270 nan 0.000 0.440 547 Y N -1.005 119.245 120.300 -0.083 0.000 2.436 547 Y HA 0.006 4.556 4.550 -0.000 0.000 0.288 547 Y C 2.562 178.450 175.900 -0.020 0.000 1.112 547 Y CA 0.999 59.066 58.100 -0.055 0.000 1.220 547 Y CB 0.279 38.698 38.460 -0.069 0.000 1.073 547 Y HN 0.164 nan 8.280 nan 0.000 0.552 548 S N -1.374 114.411 115.700 0.141 0.000 2.501 548 S HA 0.027 4.497 4.470 0.001 0.000 0.220 548 S C -0.046 174.625 174.600 0.118 0.000 0.997 548 S CA 0.547 58.808 58.200 0.101 0.000 0.919 548 S CB -0.096 63.141 63.200 0.063 0.000 0.778 548 S HN 0.295 nan 8.310 nan 0.000 0.523 549 D N 1.264 121.768 120.400 0.174 0.000 2.846 549 D HA 0.323 4.963 4.640 0.001 0.000 0.279 549 D C -2.471 173.976 176.300 0.244 0.000 1.222 549 D CA -1.118 53.021 54.000 0.232 0.000 0.769 549 D CB 1.585 42.595 40.800 0.350 0.000 1.299 549 D HN 0.059 nan 8.370 nan 0.000 0.537 550 P HA -0.155 nan 4.420 nan 0.000 0.219 550 P C 1.312 178.692 177.300 0.134 0.000 1.146 550 P CA 0.893 64.038 63.100 0.075 0.000 0.808 550 P CB 0.335 32.040 31.700 0.009 0.000 0.779 551 R N -0.740 119.847 120.500 0.145 0.000 2.092 551 R HA -0.025 4.315 4.340 0.001 0.000 0.231 551 R C 1.991 178.428 176.300 0.228 0.000 1.119 551 R CA 1.089 57.282 56.100 0.156 0.000 0.970 551 R CB -1.014 29.352 30.300 0.109 0.000 0.864 551 R HN 0.147 nan 8.270 nan 0.000 0.440 552 V N 1.006 121.093 119.914 0.288 0.000 2.453 552 V HA -0.146 3.975 4.120 0.001 0.000 0.247 552 V C 2.472 178.958 176.094 0.652 0.000 1.048 552 V CA 1.688 64.218 62.300 0.383 0.000 1.049 552 V CB -0.603 31.358 31.823 0.230 0.000 0.672 552 V HN 0.333 nan 8.190 nan 0.000 0.457 553 A N 0.031 123.241 122.820 0.650 0.000 1.908 553 A HA -0.184 4.137 4.320 0.001 0.000 0.218 553 A C 2.407 180.190 177.584 0.331 0.000 1.181 553 A CA 2.186 54.501 52.037 0.463 0.000 0.627 553 A CB -0.718 18.345 19.000 0.106 0.000 0.818 553 A HN 0.334 nan 8.150 nan 0.000 0.445 554 V N -0.354 119.711 119.914 0.252 0.000 2.427 554 V HA -0.205 3.915 4.120 0.001 0.000 0.248 554 V C 2.556 178.763 176.094 0.188 0.000 1.051 554 V CA 2.336 64.746 62.300 0.183 0.000 1.048 554 V CB -0.601 31.308 31.823 0.144 0.000 0.666 554 V HN 0.608 nan 8.190 nan 0.000 0.456 555 E N -0.498 119.846 120.200 0.240 0.000 2.051 555 E HA -0.194 4.156 4.350 0.001 0.000 0.192 555 E C 1.981 178.638 176.600 0.095 0.000 0.991 555 E CA 1.654 58.146 56.400 0.154 0.000 0.799 555 E CB -0.329 29.485 29.700 0.191 0.000 0.748 555 E HN 0.726 nan 8.360 nan 0.000 0.449 556 Y N -0.320 120.116 120.300 0.227 0.000 2.314 556 Y HA -0.002 4.548 4.550 -0.001 0.000 0.293 556 Y C 1.949 177.910 175.900 0.102 0.000 1.129 556 Y CA 0.771 59.001 58.100 0.217 0.000 1.201 556 Y CB -0.011 38.677 38.460 0.380 0.000 0.999 556 Y HN 0.024 nan 8.280 nan 0.000 0.541 557 L N -1.519 119.840 121.223 0.225 0.000 2.240 557 L HA -0.123 4.217 4.340 0.001 0.000 0.211 557 L C 2.020 178.923 176.870 0.055 0.000 1.106 557 L CA 0.332 55.235 54.840 0.104 0.000 0.793 557 L CB -0.450 41.668 42.059 0.098 0.000 0.927 557 L HN 0.048 nan 8.230 nan 0.000 0.446 558 V N 0.145 120.094 119.914 0.058 0.000 2.809 558 V HA -0.212 3.908 4.120 0.001 0.000 0.256 558 V C 2.292 178.384 176.094 -0.004 0.000 1.080 558 V CA 1.151 63.461 62.300 0.017 0.000 1.102 558 V CB -0.199 31.619 31.823 -0.009 0.000 0.705 558 V HN 0.374 nan 8.190 nan 0.000 0.475 559 L N -0.622 120.602 121.223 0.003 0.000 2.265 559 L HA -0.166 4.174 4.340 0.001 0.000 0.215 559 L C 2.235 179.156 176.870 0.085 0.000 1.117 559 L CA 1.321 56.194 54.840 0.056 0.000 0.782 559 L CB -0.475 41.649 42.059 0.108 0.000 0.914 559 L HN 0.302 nan 8.230 nan 0.000 0.441 560 I N -0.012 120.540 120.570 -0.031 0.000 2.335 560 I HA -0.278 3.892 4.170 0.001 0.000 0.251 560 I C 2.351 178.517 176.117 0.080 0.000 1.129 560 I CA 1.904 63.177 61.300 -0.045 0.000 1.402 560 I CB -0.573 37.381 38.000 -0.076 0.000 1.069 560 I HN 0.425 nan 8.210 nan 0.000 0.424 561 T N -1.166 113.428 114.554 0.067 0.000 3.194 561 T HA 0.019 4.369 4.350 0.001 0.000 0.251 561 T C 1.635 176.386 174.700 0.086 0.000 1.132 561 T CA -0.037 62.102 62.100 0.065 0.000 1.028 561 T CB -0.195 68.767 68.868 0.156 0.000 0.976 561 T HN 0.090 nan 8.240 nan 0.000 0.535 562 L N 1.768 123.084 121.223 0.155 0.000 2.081 562 L HA 0.062 4.402 4.340 0.001 0.000 0.212 562 L C 0.392 177.318 176.870 0.092 0.000 1.080 562 L CA 1.348 56.285 54.840 0.162 0.000 0.754 562 L CB -0.803 41.444 42.059 0.314 0.000 0.893 562 L HN 0.343 nan 8.230 nan 0.000 0.433 563 N N 0.243 118.999 118.700 0.093 0.000 2.426 563 N HA 0.110 4.850 4.740 0.001 0.000 0.275 563 N C 0.339 175.818 175.510 -0.052 0.000 1.019 563 N CA -0.123 52.939 53.050 0.020 0.000 0.941 563 N CB 1.082 39.597 38.487 0.046 0.000 1.123 563 N HN 0.239 nan 8.380 nan 0.000 0.486 564 E N 0.349 120.485 120.200 -0.107 0.000 2.465 564 E HA 0.074 4.424 4.350 0.001 0.000 0.191 564 E C 0.804 177.301 176.600 -0.172 0.000 1.053 564 E CA -0.341 55.924 56.400 -0.225 0.000 0.869 564 E CB 0.268 29.822 29.700 -0.244 0.000 0.977 564 E HN 0.595 nan 8.360 nan 0.000 0.483 565 G N 2.791 111.531 108.800 -0.099 0.000 2.391 565 G HA2 -0.036 3.924 3.960 0.001 0.000 0.234 565 G HA3 -0.036 3.924 3.960 0.001 0.000 0.234 565 G C -1.436 173.414 174.900 -0.084 0.000 1.284 565 G CA -0.894 44.163 45.100 -0.072 0.000 0.873 565 G HN 0.007 nan 8.290 nan 0.000 0.549 566 P HA -0.111 nan 4.420 nan 0.000 0.223 566 P C 1.736 179.003 177.300 -0.056 0.000 1.151 566 P CA 1.295 64.358 63.100 -0.060 0.000 0.787 566 P CB 0.239 31.918 31.700 -0.035 0.000 0.788 567 T N 0.618 115.146 114.554 -0.043 0.000 2.812 567 T HA -0.125 4.225 4.350 0.001 0.000 0.264 567 T C 1.241 175.915 174.700 -0.045 0.000 1.042 567 T CA 1.899 63.979 62.100 -0.033 0.000 1.140 567 T CB -0.757 68.102 68.868 -0.016 0.000 0.870 567 T HN 0.140 nan 8.240 nan 0.000 0.445 568 D N 0.379 120.751 120.400 -0.048 0.000 2.349 568 D HA 0.068 4.708 4.640 0.001 0.000 0.215 568 D C 1.810 178.047 176.300 -0.104 0.000 1.016 568 D CA 0.169 54.141 54.000 -0.046 0.000 0.870 568 D CB -0.462 40.340 40.800 0.003 0.000 0.917 568 D HN 0.391 nan 8.370 nan 0.000 0.524 569 V N 0.394 120.213 119.914 -0.158 0.000 2.591 569 V HA -0.081 4.040 4.120 0.001 0.000 0.249 569 V C 2.872 178.673 176.094 -0.489 0.000 1.053 569 V CA 2.171 64.293 62.300 -0.298 0.000 1.068 569 V CB -0.790 30.880 31.823 -0.254 0.000 0.689 569 V HN 0.497 nan 8.190 nan 0.000 0.462 570 E N 0.224 120.268 120.200 -0.259 0.000 2.106 570 E HA -0.162 4.188 4.350 0.001 0.000 0.192 570 E C 2.045 178.592 176.600 -0.089 0.000 0.984 570 E CA 1.464 57.773 56.400 -0.152 0.000 0.806 570 E CB -0.611 29.066 29.700 -0.039 0.000 0.750 570 E HN 0.622 nan 8.360 nan 0.000 0.458 571 L N -0.214 120.962 121.223 -0.078 0.000 2.079 571 L HA -0.168 4.172 4.340 0.001 0.000 0.210 571 L C 2.911 179.763 176.870 -0.030 0.000 1.081 571 L CA 1.496 56.315 54.840 -0.035 0.000 0.752 571 L CB -0.524 41.518 42.059 -0.028 0.000 0.896 571 L HN 0.616 nan 8.230 nan 0.000 0.433 572 C N -0.292 118.956 119.300 -0.086 0.000 2.462 572 C HA -0.180 4.281 4.460 0.001 0.000 0.278 572 C C 2.709 177.754 174.990 0.092 0.000 1.253 572 C CA 1.013 60.011 59.018 -0.034 0.000 1.713 572 C CB -0.913 26.782 27.740 -0.075 0.000 2.049 572 C HN 0.536 nan 8.230 nan 0.000 0.477 573 H N -0.173 118.927 119.070 0.049 0.000 2.352 573 H HA -0.117 4.439 4.556 0.000 0.000 0.299 573 H C 2.264 177.690 175.328 0.162 0.000 1.097 573 H CA 1.536 57.674 56.048 0.149 0.000 1.311 573 H CB -0.063 29.795 29.762 0.160 0.000 1.377 573 H HN 0.462 nan 8.280 nan 0.000 0.504 574 E N 0.836 121.163 120.200 0.211 0.000 2.118 574 E HA -0.131 4.220 4.350 0.001 0.000 0.195 574 E C 2.438 179.095 176.600 0.096 0.000 0.992 574 E CA 0.944 57.423 56.400 0.131 0.000 0.804 574 E CB -0.254 29.493 29.700 0.078 0.000 0.741 574 E HN 0.509 nan 8.360 nan 0.000 0.458 575 A N 0.512 123.382 122.820 0.083 0.000 1.968 575 A HA -0.053 4.268 4.320 0.001 0.000 0.217 575 A C 2.340 179.962 177.584 0.063 0.000 1.169 575 A CA 0.705 52.772 52.037 0.051 0.000 0.638 575 A CB -0.435 18.584 19.000 0.032 0.000 0.812 575 A HN 0.173 nan 8.150 nan 0.000 0.446 576 L N -1.222 120.073 121.223 0.121 0.000 2.131 576 L HA -0.096 4.244 4.340 0.001 0.000 0.206 576 L C 2.826 179.758 176.870 0.103 0.000 1.087 576 L CA 0.884 55.804 54.840 0.133 0.000 0.767 576 L CB -0.374 41.821 42.059 0.227 0.000 0.917 576 L HN 0.337 nan 8.230 nan 0.000 0.441 577 R N 0.139 120.708 120.500 0.115 0.000 2.083 577 R HA -0.194 4.147 4.340 0.001 0.000 0.237 577 R C 2.075 178.396 176.300 0.034 0.000 1.137 577 R CA 1.626 57.760 56.100 0.056 0.000 0.951 577 R CB -0.298 30.037 30.300 0.058 0.000 0.851 577 R HN 0.424 nan 8.270 nan 0.000 0.434 578 E N 0.421 120.640 120.200 0.031 0.000 2.268 578 E HA -0.174 4.176 4.350 0.001 0.000 0.195 578 E C 1.840 178.423 176.600 -0.028 0.000 0.995 578 E CA 0.510 56.913 56.400 0.006 0.000 0.836 578 E CB 0.003 29.705 29.700 0.003 0.000 0.763 578 E HN 0.120 nan 8.360 nan 0.000 0.491 579 L N 0.807 122.012 121.223 -0.030 0.000 2.005 579 L HA -0.141 4.199 4.340 0.001 0.000 0.207 579 L C 2.445 179.269 176.870 -0.077 0.000 1.072 579 L CA 1.497 56.288 54.840 -0.082 0.000 0.744 579 L CB -0.635 41.394 42.059 -0.050 0.000 0.895 579 L HN 0.096 nan 8.230 nan 0.000 0.433 580 V N -2.046 117.861 119.914 -0.011 0.000 2.307 580 V HA -0.210 3.910 4.120 0.001 0.000 0.245 580 V C 2.427 178.550 176.094 0.048 0.000 1.045 580 V CA 1.729 64.045 62.300 0.026 0.000 1.024 580 V CB -0.829 31.059 31.823 0.108 0.000 0.651 580 V HN 0.377 nan 8.190 nan 0.000 0.449 581 L N 0.814 122.075 121.223 0.063 0.000 2.012 581 L HA -0.127 4.214 4.340 0.001 0.000 0.210 581 L C 2.765 179.660 176.870 0.041 0.000 1.073 581 L CA 2.459 57.346 54.840 0.080 0.000 0.748 581 L CB -1.041 41.049 42.059 0.052 0.000 0.891 581 L HN 0.477 nan 8.230 nan 0.000 0.431 582 E N -1.942 118.262 120.200 0.006 0.000 2.299 582 E HA -0.087 4.263 4.350 0.001 0.000 0.193 582 E C 1.910 178.547 176.600 0.061 0.000 0.998 582 E CA 1.137 57.560 56.400 0.038 0.000 0.851 582 E CB 0.069 29.793 29.700 0.040 0.000 0.795 582 E HN 0.617 nan 8.360 nan 0.000 0.492 583 T N -1.904 112.593 114.554 -0.096 0.000 3.023 583 T HA 0.071 4.422 4.350 0.001 0.000 0.249 583 T C 0.809 175.386 174.700 -0.206 0.000 1.050 583 T CA -0.021 62.015 62.100 -0.107 0.000 1.088 583 T CB 0.005 68.707 68.868 -0.278 0.000 0.946 583 T HN -0.014 nan 8.240 nan 0.000 0.480 584 K N 1.278 121.432 120.400 -0.410 0.000 3.088 584 K HA -0.122 4.199 4.320 0.001 0.000 0.273 584 K C -0.652 175.267 176.600 -1.136 0.000 1.111 584 K CA 0.768 56.389 56.287 -1.110 0.000 0.803 584 K CB -1.407 30.664 32.500 -0.714 0.000 1.226 584 K HN 0.493 nan 8.250 nan 0.000 0.485 585 E N 0.602 120.465 120.200 -0.562 0.000 2.346 585 E HA 0.044 4.394 4.350 0.001 0.000 0.317 585 E C 0.679 177.184 176.600 -0.159 0.000 1.404 585 E CA 0.107 56.335 56.400 -0.287 0.000 1.534 585 E CB -0.442 29.181 29.700 -0.129 0.000 1.309 585 E HN 0.335 nan 8.360 nan 0.000 0.499 586 F N 0.354 120.306 119.950 0.003 0.000 2.095 586 F HA -0.241 4.287 4.527 0.001 0.000 0.298 586 F C 2.452 178.253 175.800 0.002 0.000 1.104 586 F CA 1.108 59.103 58.000 -0.007 0.000 1.232 586 F CB -0.470 38.521 39.000 -0.014 0.000 0.987 586 F HN 0.166 nan 8.300 nan 0.000 0.475 587 T N 0.166 114.836 114.554 0.193 0.000 2.607 587 T HA -0.201 4.150 4.350 0.001 0.000 0.267 587 T C 2.112 176.864 174.700 0.086 0.000 1.049 587 T CA 1.641 63.812 62.100 0.118 0.000 1.162 587 T CB -0.805 68.115 68.868 0.086 0.000 0.863 587 T HN 0.024 nan 8.240 nan 0.000 0.424 588 V N 1.113 121.066 119.914 0.065 0.000 2.255 588 V HA -0.136 3.984 4.120 0.001 0.000 0.247 588 V C 2.485 178.619 176.094 0.067 0.000 1.051 588 V CA 1.512 63.846 62.300 0.056 0.000 1.018 588 V CB -0.642 31.205 31.823 0.039 0.000 0.641 588 V HN 0.287 nan 8.190 nan 0.000 0.445 589 L N -1.426 119.841 121.223 0.073 0.000 2.044 589 L HA -0.012 4.328 4.340 0.001 0.000 0.205 589 L C 1.889 178.810 176.870 0.086 0.000 1.075 589 L CA 1.749 56.638 54.840 0.081 0.000 0.747 589 L CB -0.761 41.345 42.059 0.080 0.000 0.903 589 L HN 0.242 nan 8.230 nan 0.000 0.435 590 L N -1.783 119.499 121.223 0.098 0.000 2.664 590 L HA 0.461 4.801 4.340 0.001 0.000 0.233 590 L C 0.980 177.882 176.870 0.055 0.000 1.113 590 L CA 0.600 55.479 54.840 0.066 0.000 0.896 590 L CB -0.343 41.749 42.059 0.055 0.000 1.163 590 L HN 0.346 nan 8.230 nan 0.000 0.497 591 G N 0.109 108.951 108.800 0.069 0.000 2.582 591 G HA2 -0.115 3.846 3.960 0.001 0.000 0.222 591 G HA3 -0.115 3.846 3.960 0.001 0.000 0.222 591 G C -0.500 174.437 174.900 0.062 0.000 1.311 591 G CA -0.126 45.010 45.100 0.060 0.000 0.915 591 G HN 0.264 nan 8.290 nan 0.000 0.528 592 K N -1.428 119.006 120.400 0.056 0.000 2.579 592 K HA 0.601 4.921 4.320 0.001 0.000 0.284 592 K C -1.187 175.449 176.600 0.059 0.000 0.990 592 K CA -1.111 55.210 56.287 0.058 0.000 0.880 592 K CB 1.379 33.912 32.500 0.055 0.000 1.488 592 K HN 0.569 nan 8.250 nan 0.000 0.425 593 I N 2.461 123.070 120.570 0.065 0.000 2.331 593 I HA 0.302 4.473 4.170 0.001 0.000 0.292 593 I C 0.958 177.104 176.117 0.049 0.000 0.998 593 I CA -0.163 61.184 61.300 0.078 0.000 1.267 593 I CB 0.574 38.648 38.000 0.123 0.000 1.386 593 I HN 0.779 nan 8.210 nan 0.000 0.476 594 G N 5.290 114.118 108.800 0.047 0.000 2.528 594 G HA2 0.272 4.232 3.960 0.001 0.000 0.289 594 G HA3 0.272 4.232 3.960 0.001 0.000 0.289 594 G C 0.829 175.737 174.900 0.013 0.000 1.192 594 G CA -0.533 44.583 45.100 0.026 0.000 0.921 594 G HN 0.614 nan 8.290 nan 0.000 0.512 595 R N -0.330 120.168 120.500 -0.004 0.000 2.303 595 R HA -0.095 4.245 4.340 0.001 0.000 0.225 595 R C 1.229 177.526 176.300 -0.006 0.000 1.114 595 R CA 1.402 57.488 56.100 -0.022 0.000 1.007 595 R CB 0.122 30.407 30.300 -0.024 0.000 0.861 595 R HN 0.700 nan 8.270 nan 0.000 0.471 596 D N -1.606 118.803 120.400 0.015 0.000 2.339 596 D HA 0.049 4.689 4.640 0.001 0.000 0.217 596 D C 1.175 177.505 176.300 0.051 0.000 1.050 596 D CA 0.756 54.771 54.000 0.026 0.000 0.856 596 D CB 0.292 41.107 40.800 0.024 0.000 0.922 596 D HN 0.198 nan 8.370 nan 0.000 0.518 597 G N -0.329 108.516 108.800 0.074 0.000 2.195 597 G HA2 -0.150 3.810 3.960 0.001 0.000 0.246 597 G HA3 -0.150 3.810 3.960 0.001 0.000 0.246 597 G C 0.449 175.433 174.900 0.141 0.000 0.984 597 G CA 0.082 45.267 45.100 0.142 0.000 0.633 597 G HN 0.826 nan 8.290 nan 0.000 0.525 598 A N 0.270 123.146 122.820 0.093 0.000 2.327 598 A HA 0.758 5.078 4.320 0.001 0.000 0.283 598 A C 0.657 178.288 177.584 0.079 0.000 1.127 598 A CA 0.234 52.320 52.037 0.082 0.000 0.810 598 A CB 0.463 19.496 19.000 0.056 0.000 1.066 598 A HN 0.736 nan 8.150 nan 0.000 0.492 599 R N 2.229 122.776 120.500 0.078 0.000 2.489 599 R HA 0.267 4.607 4.340 0.001 0.000 0.287 599 R C -0.925 175.407 176.300 0.053 0.000 1.053 599 R CA 0.015 56.156 56.100 0.068 0.000 1.036 599 R CB 0.059 30.397 30.300 0.063 0.000 0.966 599 R HN 0.660 nan 8.270 nan 0.000 0.432 600 I N 8.298 128.898 120.570 0.050 0.000 2.281 600 I HA 0.205 4.375 4.170 0.001 0.000 0.293 600 I C -1.867 174.277 176.117 0.045 0.000 1.085 600 I CA -2.378 58.948 61.300 0.043 0.000 1.257 600 I CB 1.297 39.321 38.000 0.040 0.000 1.430 600 I HN 0.469 nan 8.210 nan 0.000 0.489 601 P HA -0.065 nan 4.420 nan 0.000 0.264 601 P C 0.389 177.719 177.300 0.050 0.000 1.173 601 P CA 0.190 63.317 63.100 0.045 0.000 0.761 601 P CB 0.519 32.242 31.700 0.040 0.000 0.794 602 G N 1.085 109.918 108.800 0.055 0.000 2.525 602 G HA2 0.245 4.206 3.960 0.001 0.000 0.287 602 G HA3 0.245 4.206 3.960 0.001 0.000 0.287 602 G C 1.094 176.035 174.900 0.067 0.000 1.350 602 G CA -0.643 44.495 45.100 0.063 0.000 1.039 602 G HN 0.294 nan 8.290 nan 0.000 0.513 603 V N 0.097 120.056 119.914 0.077 0.000 2.427 603 V HA -0.121 3.999 4.120 0.001 0.000 0.248 603 V C 2.800 178.943 176.094 0.081 0.000 1.051 603 V CA 1.365 63.717 62.300 0.086 0.000 1.048 603 V CB -0.621 31.263 31.823 0.102 0.000 0.666 603 V HN 0.565 nan 8.190 nan 0.000 0.456 604 I N -0.061 120.563 120.570 0.089 0.000 2.361 604 I HA -0.239 3.931 4.170 0.001 0.000 0.251 604 I C 2.515 178.687 176.117 0.092 0.000 1.133 604 I CA 1.704 63.066 61.300 0.103 0.000 1.413 604 I CB -0.305 37.778 38.000 0.137 0.000 1.073 604 I HN 0.410 nan 8.210 nan 0.000 0.424 605 E N 1.136 121.382 120.200 0.077 0.000 2.152 605 E HA -0.193 4.157 4.350 0.001 0.000 0.192 605 E C 1.920 178.540 176.600 0.034 0.000 0.983 605 E CA 0.745 57.183 56.400 0.063 0.000 0.818 605 E CB 0.175 29.909 29.700 0.057 0.000 0.758 605 E HN 0.499 nan 8.360 nan 0.000 0.467 606 E N 0.022 120.241 120.200 0.032 0.000 2.110 606 E HA -0.122 4.228 4.350 0.001 0.000 0.193 606 E C 1.380 177.966 176.600 -0.023 0.000 0.988 606 E CA 0.633 57.038 56.400 0.009 0.000 0.804 606 E CB 0.143 29.857 29.700 0.025 0.000 0.745 606 E HN -0.003 nan 8.360 nan 0.000 0.458 607 R N 0.777 121.266 120.500 -0.018 0.000 2.449 607 R HA 0.074 4.415 4.340 0.001 0.000 0.262 607 R C 1.377 177.641 176.300 -0.060 0.000 1.006 607 R CA 0.172 56.240 56.100 -0.054 0.000 1.104 607 R CB 0.000 30.277 30.300 -0.039 0.000 1.206 607 R HN 0.302 nan 8.270 nan 0.000 0.538 608 Q N 0.935 120.707 119.800 -0.046 0.000 2.119 608 Q HA -0.049 4.291 4.340 0.001 0.000 0.201 608 Q C -0.886 175.040 176.000 -0.124 0.000 0.972 608 Q CA 1.346 57.112 55.803 -0.061 0.000 0.847 608 Q CB -0.348 28.379 28.738 -0.018 0.000 0.903 608 Q HN 0.105 nan 8.270 nan 0.000 0.433 609 P HA -0.208 nan 4.420 nan 0.000 0.216 609 P C 0.633 177.746 177.300 -0.312 0.000 1.157 609 P CA 1.327 64.315 63.100 -0.186 0.000 0.880 609 P CB -0.088 31.523 31.700 -0.147 0.000 0.791 610 L N -1.958 119.111 121.223 -0.256 0.000 2.551 610 L HA -0.050 4.290 4.340 0.001 0.000 0.228 610 L C 2.106 178.831 176.870 -0.243 0.000 1.153 610 L CA 0.533 55.208 54.840 -0.276 0.000 0.851 610 L CB -0.632 41.328 42.059 -0.166 0.000 0.959 610 L HN 0.017 nan 8.230 nan 0.000 0.451 611 L N -1.250 119.846 121.223 -0.212 0.000 2.509 611 L HA 0.040 4.380 4.340 0.001 0.000 0.222 611 L C 0.513 177.417 176.870 0.058 0.000 1.123 611 L CA -0.009 54.797 54.840 -0.057 0.000 0.856 611 L CB -0.301 41.679 42.059 -0.131 0.000 0.985 611 L HN 0.357 nan 8.230 nan 0.000 0.456 612 H N -0.262 118.789 119.070 -0.031 0.000 2.626 612 H HA -0.108 4.448 4.556 0.000 0.000 0.317 612 H C 0.225 175.555 175.328 0.003 0.000 1.140 612 H CA 0.561 56.596 56.048 -0.021 0.000 1.134 612 H CB -2.059 27.684 29.762 -0.032 0.000 1.486 612 H HN 0.240 nan 8.280 nan 0.000 0.417 613 V N -2.016 117.886 119.914 -0.021 0.000 3.003 613 V HA 0.167 4.287 4.120 0.001 0.000 0.305 613 V C 1.584 177.676 176.094 -0.004 0.000 1.078 613 V CA -0.354 61.887 62.300 -0.098 0.000 1.083 613 V CB 1.437 33.090 31.823 -0.283 0.000 1.039 613 V HN 0.285 nan 8.190 nan 0.000 0.481 614 R N 0.284 120.796 120.500 0.020 0.000 2.090 614 R HA 0.101 4.441 4.340 0.001 0.000 0.228 614 R C 0.181 176.499 176.300 0.031 0.000 1.110 614 R CA 1.328 57.452 56.100 0.040 0.000 0.973 614 R CB 0.092 30.426 30.300 0.058 0.000 0.869 614 R HN 0.917 nan 8.270 nan 0.000 0.440 615 D N -0.913 119.508 120.400 0.036 0.000 2.602 615 D HA 0.111 4.752 4.640 0.001 0.000 0.245 615 D C 0.565 176.893 176.300 0.047 0.000 1.325 615 D CA 0.184 54.206 54.000 0.037 0.000 0.952 615 D CB 1.468 42.293 40.800 0.042 0.000 1.317 615 D HN 0.125 nan 8.370 nan 0.000 0.577 616 E N 3.492 123.708 120.200 0.026 0.000 2.086 616 E HA -0.269 4.082 4.350 0.001 0.000 0.200 616 E C 1.429 178.064 176.600 0.058 0.000 1.012 616 E CA 1.784 58.202 56.400 0.030 0.000 0.812 616 E CB -0.432 29.275 29.700 0.011 0.000 0.743 616 E HN 0.575 nan 8.360 nan 0.000 0.453 617 K N -1.120 119.305 120.400 0.041 0.000 2.211 617 K HA 0.124 4.445 4.320 0.001 0.000 0.201 617 K C 2.662 179.295 176.600 0.055 0.000 1.052 617 K CA 0.875 57.183 56.287 0.035 0.000 0.973 617 K CB 0.368 32.864 32.500 -0.006 0.000 0.766 617 K HN 0.483 nan 8.250 nan 0.000 0.466 618 E N 0.978 121.216 120.200 0.063 0.000 2.285 618 E HA -0.124 4.227 4.350 0.001 0.000 0.194 618 E C 1.473 178.143 176.600 0.117 0.000 0.997 618 E CA 0.581 57.031 56.400 0.083 0.000 0.845 618 E CB -0.730 29.007 29.700 0.061 0.000 0.782 618 E HN 0.305 nan 8.360 nan 0.000 0.491 619 F N 0.777 120.716 119.950 -0.017 0.000 2.075 619 F HA -0.023 4.505 4.527 0.000 0.000 0.297 619 F C 2.166 177.940 175.800 -0.044 0.000 1.113 619 F CA 1.616 59.578 58.000 -0.063 0.000 1.218 619 F CB -0.189 38.729 39.000 -0.137 0.000 0.984 619 F HN 0.156 nan 8.300 nan 0.000 0.472 620 L N -0.653 120.494 121.223 -0.127 0.000 2.109 620 L HA -0.208 4.133 4.340 0.001 0.000 0.207 620 L C 2.508 179.276 176.870 -0.169 0.000 1.086 620 L CA 1.679 56.389 54.840 -0.217 0.000 0.760 620 L CB -0.916 41.130 42.059 -0.022 0.000 0.910 620 L HN 0.295 nan 8.230 nan 0.000 0.437 621 H N -0.441 118.544 119.070 -0.142 0.000 2.387 621 H HA -0.163 4.393 4.556 0.000 0.000 0.299 621 H C 2.122 177.358 175.328 -0.153 0.000 1.090 621 H CA 2.228 58.202 56.048 -0.123 0.000 1.332 621 H CB 0.142 29.859 29.762 -0.075 0.000 1.386 621 H HN 0.072 nan 8.280 nan 0.000 0.516 622 T N 0.317 114.780 114.554 -0.151 0.000 2.812 622 T HA -0.058 4.293 4.350 0.001 0.000 0.264 622 T C 2.174 176.711 174.700 -0.272 0.000 1.042 622 T CA 1.342 63.329 62.100 -0.188 0.000 1.140 622 T CB -0.180 68.630 68.868 -0.096 0.000 0.870 622 T HN 0.286 nan 8.240 nan 0.000 0.445 623 I N 1.094 121.456 120.570 -0.348 0.000 2.226 623 I HA -0.196 3.975 4.170 0.001 0.000 0.245 623 I C 2.640 178.583 176.117 -0.290 0.000 1.100 623 I CA 1.169 62.275 61.300 -0.323 0.000 1.374 623 I CB -0.546 37.206 38.000 -0.413 0.000 1.057 623 I HN 0.279 nan 8.210 nan 0.000 0.413 624 T N -0.420 113.939 114.554 -0.324 0.000 2.701 624 T HA -0.220 4.130 4.350 0.001 0.000 0.263 624 T C 1.920 176.367 174.700 -0.422 0.000 1.040 624 T CA 1.699 63.589 62.100 -0.350 0.000 1.147 624 T CB -0.369 68.314 68.868 -0.307 0.000 0.865 624 T HN 0.399 nan 8.240 nan 0.000 0.426 625 E N 1.291 121.208 120.200 -0.471 0.000 2.070 625 E HA -0.270 4.080 4.350 0.001 0.000 0.197 625 E C 2.223 178.629 176.600 -0.323 0.000 1.004 625 E CA 1.902 58.046 56.400 -0.428 0.000 0.805 625 E CB -0.604 28.834 29.700 -0.437 0.000 0.744 625 E HN 0.730 nan 8.360 nan 0.000 0.451 626 Q N -0.559 119.083 119.800 -0.263 0.000 2.020 626 Q HA -0.047 4.293 4.340 0.001 0.000 0.202 626 Q C 2.585 178.466 176.000 -0.198 0.000 0.982 626 Q CA 1.611 57.303 55.803 -0.186 0.000 0.838 626 Q CB -0.466 28.186 28.738 -0.143 0.000 0.899 626 Q HN 0.610 nan 8.270 nan 0.000 0.423 627 A N 0.944 123.620 122.820 -0.239 0.000 2.024 627 A HA -0.179 4.141 4.320 0.001 0.000 0.220 627 A C 2.198 179.561 177.584 -0.368 0.000 1.164 627 A CA 1.640 53.518 52.037 -0.265 0.000 0.643 627 A CB -0.658 18.133 19.000 -0.348 0.000 0.806 627 A HN 0.429 nan 8.150 nan 0.000 0.451 628 A N -0.458 122.082 122.820 -0.467 0.000 1.873 628 A HA 0.071 4.392 4.320 0.001 0.000 0.215 628 A C 2.481 179.850 177.584 -0.358 0.000 1.186 628 A CA 2.402 54.058 52.037 -0.634 0.000 0.616 628 A CB -0.910 17.404 19.000 -1.143 0.000 0.823 628 A HN 0.729 nan 8.150 nan 0.000 0.442 629 R N -0.033 120.340 120.500 -0.211 0.000 2.120 629 R HA -0.063 4.278 4.340 0.001 0.000 0.234 629 R C 2.279 178.556 176.300 -0.039 0.000 1.123 629 R CA 1.895 57.966 56.100 -0.049 0.000 0.975 629 R CB -1.037 29.245 30.300 -0.031 0.000 0.866 629 R HN 0.693 nan 8.270 nan 0.000 0.446 630 R N -0.470 119.988 120.500 -0.071 0.000 2.075 630 R HA 0.026 4.366 4.340 0.001 0.000 0.232 630 R C 2.660 178.955 176.300 -0.009 0.000 1.126 630 R CA 1.381 57.463 56.100 -0.029 0.000 0.963 630 R CB -0.403 29.883 30.300 -0.022 0.000 0.858 630 R HN 0.502 nan 8.270 nan 0.000 0.435 631 A N 1.550 124.344 122.820 -0.042 0.000 1.902 631 A HA -0.202 4.118 4.320 0.001 0.000 0.217 631 A C 1.560 179.162 177.584 0.029 0.000 1.181 631 A CA 1.960 53.995 52.037 -0.003 0.000 0.623 631 A CB -0.535 18.426 19.000 -0.066 0.000 0.818 631 A HN 0.652 nan 8.150 nan 0.000 0.443 632 D N -0.894 119.528 120.400 0.037 0.000 2.277 632 D HA 0.136 4.776 4.640 0.001 0.000 0.208 632 D C 1.525 177.853 176.300 0.045 0.000 0.962 632 D CA 1.372 55.412 54.000 0.066 0.000 0.865 632 D CB -0.488 40.386 40.800 0.123 0.000 0.939 632 D HN 0.474 nan 8.370 nan 0.000 0.510 633 E N 0.985 121.205 120.200 0.034 0.000 2.158 633 E HA -0.085 4.265 4.350 0.001 0.000 0.191 633 E C 1.488 178.106 176.600 0.029 0.000 0.982 633 E CA 1.184 57.600 56.400 0.027 0.000 0.823 633 E CB -0.890 28.822 29.700 0.020 0.000 0.766 633 E HN 0.237 nan 8.360 nan 0.000 0.468 634 D N -1.048 119.373 120.400 0.035 0.000 2.355 634 D HA 0.206 4.847 4.640 0.001 0.000 0.218 634 D C 1.405 177.732 176.300 0.045 0.000 1.004 634 D CA 1.007 55.031 54.000 0.041 0.000 0.880 634 D CB 0.320 41.151 40.800 0.052 0.000 0.911 634 D HN 0.541 nan 8.370 nan 0.000 0.528 635 G N 1.153 109.980 108.800 0.045 0.000 2.155 635 G HA2 -0.384 3.577 3.960 0.001 0.000 0.257 635 G HA3 -0.384 3.577 3.960 0.001 0.000 0.257 635 G C 0.401 175.340 174.900 0.065 0.000 0.983 635 G CA -0.225 44.904 45.100 0.048 0.000 0.676 635 G HN 0.325 nan 8.290 nan 0.000 0.528 636 R N -0.036 120.511 120.500 0.077 0.000 2.609 636 R HA 0.367 4.708 4.340 0.001 0.000 0.271 636 R C 1.770 178.133 176.300 0.106 0.000 1.403 636 R CA -0.289 55.878 56.100 0.111 0.000 1.138 636 R CB 0.073 30.452 30.300 0.132 0.000 1.142 636 R HN 0.352 nan 8.270 nan 0.000 0.559 637 I N 1.849 122.474 120.570 0.091 0.000 2.142 637 I HA -0.298 3.872 4.170 0.001 0.000 0.240 637 I C 1.155 177.251 176.117 -0.035 0.000 1.078 637 I CA 1.734 63.032 61.300 -0.003 0.000 1.343 637 I CB -0.065 37.879 38.000 -0.094 0.000 1.046 637 I HN 0.492 nan 8.210 nan 0.000 0.405 638 Y N 0.962 121.297 120.300 0.058 0.000 2.165 638 Y HA -0.287 4.264 4.550 0.001 0.000 0.286 638 Y C 2.431 178.373 175.900 0.071 0.000 1.155 638 Y CA 1.842 59.979 58.100 0.061 0.000 1.164 638 Y CB -0.847 37.646 38.460 0.056 0.000 0.978 638 Y HN 0.244 nan 8.280 nan 0.000 0.513 639 D N -0.650 119.890 120.400 0.233 0.000 2.104 639 D HA -0.162 4.479 4.640 0.001 0.000 0.194 639 D C 2.330 178.629 176.300 -0.002 0.000 0.994 639 D CA 1.640 55.743 54.000 0.171 0.000 0.830 639 D CB -0.514 40.451 40.800 0.276 0.000 0.959 639 D HN 0.173 nan 8.370 nan 0.000 0.452 640 S N 0.228 115.936 115.700 0.013 0.000 2.365 640 S HA -0.148 4.323 4.470 0.001 0.000 0.225 640 S C 2.183 176.834 174.600 0.084 0.000 1.039 640 S CA 0.691 58.897 58.200 0.010 0.000 1.033 640 S CB -0.265 63.005 63.200 0.116 0.000 0.887 640 S HN 0.266 nan 8.310 nan 0.000 0.447 641 I N 0.942 121.560 120.570 0.080 0.000 2.179 641 I HA -0.193 3.977 4.170 0.001 0.000 0.242 641 I C 2.342 178.511 176.117 0.086 0.000 1.088 641 I CA 1.027 62.383 61.300 0.093 0.000 1.357 641 I CB -0.312 37.702 38.000 0.023 0.000 1.051 641 I HN 0.257 nan 8.210 nan 0.000 0.409 642 L N 0.546 121.803 121.223 0.057 0.000 2.012 642 L HA -0.247 4.093 4.340 0.001 0.000 0.210 642 L C 2.518 179.364 176.870 -0.041 0.000 1.073 642 L CA 1.646 56.510 54.840 0.041 0.000 0.748 642 L CB -0.143 41.962 42.059 0.077 0.000 0.891 642 L HN 0.189 nan 8.230 nan 0.000 0.431 643 L N -1.611 119.509 121.223 -0.173 0.000 2.046 643 L HA -0.262 4.079 4.340 0.001 0.000 0.208 643 L C 2.373 179.072 176.870 -0.284 0.000 1.077 643 L CA 1.458 56.100 54.840 -0.331 0.000 0.747 643 L CB -0.708 41.004 42.059 -0.578 0.000 0.896 643 L HN 0.247 nan 8.230 nan 0.000 0.432 644 Y N 0.005 120.236 120.300 -0.115 0.000 2.421 644 Y HA -0.208 4.342 4.550 0.001 0.000 0.292 644 Y C 2.724 178.571 175.900 -0.088 0.000 1.136 644 Y CA 0.646 58.683 58.100 -0.105 0.000 1.255 644 Y CB -0.106 38.308 38.460 -0.078 0.000 0.991 644 Y HN 0.266 nan 8.280 nan 0.000 0.552 645 Q N 0.088 119.952 119.800 0.106 0.000 2.016 645 Q HA -0.175 4.165 4.340 0.001 0.000 0.200 645 Q C 2.210 178.233 176.000 0.038 0.000 0.978 645 Q CA 1.572 57.450 55.803 0.124 0.000 0.833 645 Q CB -0.373 28.474 28.738 0.181 0.000 0.895 645 Q HN 0.501 nan 8.270 nan 0.000 0.427 646 L N 0.475 121.700 121.223 0.004 0.000 2.127 646 L HA -0.172 4.169 4.340 0.001 0.000 0.211 646 L C 2.351 179.196 176.870 -0.041 0.000 1.089 646 L CA 0.951 55.782 54.840 -0.017 0.000 0.757 646 L CB -0.539 41.491 42.059 -0.048 0.000 0.899 646 L HN 0.196 nan 8.230 nan 0.000 0.434 647 A N -0.877 121.893 122.820 -0.084 0.000 2.209 647 A HA -0.117 4.203 4.320 0.001 0.000 0.212 647 A C 1.081 178.622 177.584 -0.070 0.000 1.158 647 A CA 0.484 52.485 52.037 -0.061 0.000 0.742 647 A CB -0.340 18.596 19.000 -0.106 0.000 0.790 647 A HN 0.544 nan 8.150 nan 0.000 0.472 648 E N -0.473 119.593 120.200 -0.224 0.000 2.586 648 E HA -0.151 4.199 4.350 0.001 0.000 0.259 648 E C -0.824 175.275 176.600 -0.834 0.000 1.107 648 E CA 0.555 56.544 56.400 -0.685 0.000 0.754 648 E CB -1.094 28.337 29.700 -0.449 0.000 1.335 648 E HN 0.626 nan 8.360 nan 0.000 0.411 649 E N 0.084 120.038 120.200 -0.410 0.000 2.028 649 E HA 0.062 4.412 4.350 0.001 0.000 0.275 649 E C 0.329 176.794 176.600 -0.226 0.000 1.171 649 E CA -0.026 56.230 56.400 -0.241 0.000 1.186 649 E CB -0.121 29.572 29.700 -0.013 0.000 1.256 649 E HN 0.391 nan 8.360 nan 0.000 0.474 650 Y N 0.206 120.447 120.300 -0.098 0.000 2.145 650 Y HA -0.252 4.298 4.550 0.000 0.000 0.286 650 Y C 2.246 178.117 175.900 -0.049 0.000 1.145 650 Y CA 1.176 59.169 58.100 -0.178 0.000 1.148 650 Y CB 0.019 38.275 38.460 -0.341 0.000 0.981 650 Y HN 0.321 nan 8.280 nan 0.000 0.507 651 D N 0.401 120.866 120.400 0.108 0.000 2.123 651 D HA -0.181 4.459 4.640 0.001 0.000 0.196 651 D C 1.894 178.198 176.300 0.007 0.000 0.992 651 D CA 1.425 55.468 54.000 0.073 0.000 0.833 651 D CB -0.285 40.542 40.800 0.045 0.000 0.954 651 D HN 0.299 nan 8.370 nan 0.000 0.455 652 I N -0.455 120.059 120.570 -0.095 0.000 2.226 652 I HA -0.235 3.936 4.170 0.001 0.000 0.245 652 I C 2.324 178.365 176.117 -0.127 0.000 1.100 652 I CA 0.435 61.605 61.300 -0.217 0.000 1.374 652 I CB -0.131 37.537 38.000 -0.553 0.000 1.057 652 I HN -0.014 nan 8.210 nan 0.000 0.413 653 V N 1.084 120.986 119.914 -0.020 0.000 2.287 653 V HA -0.290 3.830 4.120 0.001 0.000 0.248 653 V C 2.380 178.536 176.094 0.104 0.000 1.053 653 V CA 1.602 63.956 62.300 0.091 0.000 1.027 653 V CB -0.525 31.436 31.823 0.231 0.000 0.646 653 V HN 0.301 nan 8.190 nan 0.000 0.447 654 I N 0.269 120.926 120.570 0.146 0.000 2.179 654 I HA -0.192 3.978 4.170 0.001 0.000 0.242 654 I C 2.572 178.742 176.117 0.088 0.000 1.088 654 I CA 1.918 63.316 61.300 0.164 0.000 1.357 654 I CB -1.935 36.213 38.000 0.247 0.000 1.051 654 I HN 0.335 nan 8.210 nan 0.000 0.409 655 T N 1.992 116.574 114.554 0.046 0.000 2.684 655 T HA -0.156 4.195 4.350 0.001 0.000 0.267 655 T C 2.155 176.851 174.700 -0.005 0.000 1.036 655 T CA 1.328 63.435 62.100 0.012 0.000 1.148 655 T CB -0.449 68.405 68.868 -0.023 0.000 0.863 655 T HN 0.250 nan 8.240 nan 0.000 0.436 656 L N 0.649 121.860 121.223 -0.021 0.000 2.083 656 L HA -0.062 4.278 4.340 0.001 0.000 0.209 656 L C 2.659 179.508 176.870 -0.035 0.000 1.083 656 L CA 0.804 55.626 54.840 -0.030 0.000 0.752 656 L CB -0.683 41.360 42.059 -0.027 0.000 0.899 656 L HN 0.156 nan 8.230 nan 0.000 0.433 657 V N -0.029 119.878 119.914 -0.012 0.000 2.427 657 V HA -0.214 3.907 4.120 0.001 0.000 0.248 657 V C 2.163 178.255 176.094 -0.003 0.000 1.051 657 V CA 1.536 63.825 62.300 -0.019 0.000 1.048 657 V CB -0.644 31.183 31.823 0.008 0.000 0.666 657 V HN 0.466 nan 8.190 nan 0.000 0.456 658 N N 0.229 118.941 118.700 0.020 0.000 2.166 658 N HA -0.116 4.625 4.740 0.001 0.000 0.186 658 N C 2.119 177.632 175.510 0.006 0.000 1.019 658 N CA 1.705 54.769 53.050 0.023 0.000 0.856 658 N CB -0.380 38.127 38.487 0.033 0.000 0.993 658 N HN 0.373 nan 8.380 nan 0.000 0.426 659 S N 0.889 116.585 115.700 -0.006 0.000 2.355 659 S HA -0.049 4.421 4.470 0.001 0.000 0.222 659 S C 1.890 176.479 174.600 -0.018 0.000 1.031 659 S CA 0.478 58.671 58.200 -0.011 0.000 0.993 659 S CB -0.324 62.866 63.200 -0.017 0.000 0.859 659 S HN 0.242 nan 8.310 nan 0.000 0.453 660 L N 1.499 122.697 121.223 -0.042 0.000 2.046 660 L HA 0.008 4.348 4.340 0.001 0.000 0.208 660 L C 2.020 178.875 176.870 -0.024 0.000 1.077 660 L CA 1.492 56.295 54.840 -0.061 0.000 0.747 660 L CB -0.620 41.348 42.059 -0.151 0.000 0.896 660 L HN 0.276 nan 8.230 nan 0.000 0.432 661 L N -1.253 119.962 121.223 -0.013 0.000 2.072 661 L HA -0.081 4.260 4.340 0.001 0.000 0.205 661 L C 2.656 179.535 176.870 0.016 0.000 1.079 661 L CA 2.004 56.849 54.840 0.008 0.000 0.752 661 L CB -1.020 41.047 42.059 0.014 0.000 0.906 661 L HN 0.425 nan 8.230 nan 0.000 0.436 662 S N -0.569 115.139 115.700 0.014 0.000 2.365 662 S HA -0.231 4.240 4.470 0.001 0.000 0.225 662 S C 1.727 176.339 174.600 0.021 0.000 1.039 662 S CA 1.812 60.022 58.200 0.018 0.000 1.033 662 S CB -0.449 62.758 63.200 0.012 0.000 0.887 662 S HN 0.604 nan 8.310 nan 0.000 0.447 663 D N 0.386 120.797 120.400 0.018 0.000 2.117 663 D HA -0.037 4.603 4.640 0.001 0.000 0.198 663 D C 2.122 178.441 176.300 0.031 0.000 0.982 663 D CA 1.529 55.543 54.000 0.023 0.000 0.828 663 D CB -0.911 39.900 40.800 0.019 0.000 0.967 663 D HN 0.436 nan 8.370 nan 0.000 0.464 664 T N 1.265 115.838 114.554 0.031 0.000 2.746 664 T HA -0.068 4.282 4.350 0.001 0.000 0.267 664 T C 2.264 176.985 174.700 0.036 0.000 1.039 664 T CA 0.595 62.718 62.100 0.038 0.000 1.142 664 T CB -0.279 68.614 68.868 0.043 0.000 0.866 664 T HN 0.114 nan 8.240 nan 0.000 0.444 665 L N 1.601 122.844 121.223 0.034 0.000 1.989 665 L HA -0.130 4.211 4.340 0.001 0.000 0.211 665 L C 2.936 179.829 176.870 0.039 0.000 1.071 665 L CA 1.684 56.545 54.840 0.036 0.000 0.749 665 L CB -0.883 41.196 42.059 0.034 0.000 0.890 665 L HN 0.375 nan 8.230 nan 0.000 0.431 666 S N -0.351 115.373 115.700 0.039 0.000 2.447 666 S HA -0.029 4.441 4.470 0.001 0.000 0.233 666 S C 1.811 176.437 174.600 0.045 0.000 1.006 666 S CA 0.700 58.927 58.200 0.044 0.000 0.957 666 S CB -0.122 63.105 63.200 0.045 0.000 0.773 666 S HN 0.352 nan 8.310 nan 0.000 0.507 667 A N 1.330 124.175 122.820 0.042 0.000 2.252 667 A HA 0.460 4.781 4.320 0.001 0.000 0.213 667 A C 1.207 178.816 177.584 0.042 0.000 1.188 667 A CA 0.231 52.293 52.037 0.042 0.000 0.863 667 A CB -0.215 18.808 19.000 0.040 0.000 0.893 667 A HN 0.619 nan 8.150 nan 0.000 0.495 668 S N 0.686 116.411 115.700 0.043 0.000 2.610 668 S HA 0.435 4.905 4.470 0.001 0.000 0.273 668 S C -0.804 173.829 174.600 0.055 0.000 1.274 668 S CA -0.729 57.497 58.200 0.043 0.000 1.023 668 S CB 0.996 64.217 63.200 0.035 0.000 0.962 668 S HN 0.240 nan 8.310 nan 0.000 0.523 669 D N 0.942 121.379 120.400 0.062 0.000 2.304 669 D HA 0.244 4.885 4.640 0.001 0.000 0.247 669 D C 1.294 177.666 176.300 0.120 0.000 1.089 669 D CA -0.417 53.635 54.000 0.085 0.000 0.910 669 D CB 1.112 41.963 40.800 0.085 0.000 1.199 669 D HN 0.515 nan 8.370 nan 0.000 0.426 670 L N 0.919 122.236 121.223 0.157 0.000 2.275 670 L HA -0.131 4.209 4.340 0.001 0.000 0.215 670 L C 2.185 179.264 176.870 0.348 0.000 1.119 670 L CA 1.569 56.560 54.840 0.251 0.000 0.790 670 L CB -0.689 41.533 42.059 0.272 0.000 0.919 670 L HN 0.465 nan 8.230 nan 0.000 0.443 671 D N -1.234 119.330 120.400 0.274 0.000 2.269 671 D HA -0.050 4.590 4.640 0.001 0.000 0.208 671 D C 1.187 177.696 176.300 0.350 0.000 0.963 671 D CA 0.634 54.812 54.000 0.297 0.000 0.864 671 D CB 0.023 40.938 40.800 0.192 0.000 0.936 671 D HN 0.233 nan 8.370 nan 0.000 0.505 672 Q N 0.367 120.279 119.800 0.187 0.000 2.271 672 Q HA 0.366 4.706 4.340 0.001 0.000 0.258 672 Q C -2.521 173.377 176.000 -0.169 0.000 0.936 672 Q CA -2.125 53.702 55.803 0.039 0.000 0.909 672 Q CB 1.638 30.393 28.738 0.029 0.000 1.253 672 Q HN 0.212 nan 8.270 nan 0.000 0.440 673 P HA -0.016 nan 4.420 nan 0.000 0.264 673 P C 0.714 177.851 177.300 -0.271 0.000 1.183 673 P CA 0.222 62.927 63.100 -0.659 0.000 0.763 673 P CB 0.649 31.950 31.700 -0.665 0.000 0.807 674 L N 2.003 123.112 121.223 -0.190 0.000 2.201 674 L HA -0.029 4.312 4.340 0.001 0.000 0.212 674 L C 0.526 177.352 176.870 -0.073 0.000 1.105 674 L CA 1.163 55.952 54.840 -0.084 0.000 0.775 674 L CB 0.059 42.093 42.059 -0.042 0.000 0.913 674 L HN 0.170 nan 8.230 nan 0.000 0.440 675 V N -0.684 119.169 119.914 -0.101 0.000 2.567 675 V HA 0.479 4.599 4.120 0.001 0.000 0.298 675 V C 0.371 176.416 176.094 -0.082 0.000 1.047 675 V CA -0.721 61.538 62.300 -0.069 0.000 0.880 675 V CB 1.289 33.083 31.823 -0.048 0.000 1.009 675 V HN 0.147 nan 8.190 nan 0.000 0.429 676 G N 4.162 112.926 108.800 -0.061 0.000 2.543 676 G HA2 0.532 4.493 3.960 0.001 0.000 0.290 676 G HA3 0.532 4.493 3.960 0.001 0.000 0.290 676 G C -1.582 173.297 174.900 -0.036 0.000 1.310 676 G CA -1.072 43.996 45.100 -0.053 0.000 1.025 676 G HN 0.575 nan 8.290 nan 0.000 0.502 677 P HA 0.119 nan 4.420 nan 0.000 0.221 677 P C 1.363 178.652 177.300 -0.017 0.000 1.150 677 P CA 1.767 64.856 63.100 -0.018 0.000 0.800 677 P CB 0.134 31.827 31.700 -0.012 0.000 0.787 678 D N -1.019 119.369 120.400 -0.019 0.000 2.305 678 D HA -0.042 4.599 4.640 0.001 0.000 0.206 678 D C 0.591 176.879 176.300 -0.021 0.000 0.974 678 D CA 0.196 54.184 54.000 -0.019 0.000 0.871 678 D CB -0.584 40.205 40.800 -0.019 0.000 0.947 678 D HN 0.134 nan 8.370 nan 0.000 0.516 679 D N 1.080 121.467 120.400 -0.023 0.000 2.423 679 D HA 0.336 4.976 4.640 0.001 0.000 0.238 679 D C 0.151 176.441 176.300 -0.017 0.000 1.142 679 D CA 0.313 54.300 54.000 -0.022 0.000 0.884 679 D CB 1.035 41.822 40.800 -0.021 0.000 1.199 679 D HN 0.669 nan 8.370 nan 0.000 0.438 680 N N -2.236 116.455 118.700 -0.016 0.000 2.509 680 N HA 0.231 4.971 4.740 0.001 0.000 0.280 680 N C 0.123 175.635 175.510 0.004 0.000 1.306 680 N CA -0.845 52.199 53.050 -0.009 0.000 0.782 680 N CB 0.793 39.272 38.487 -0.013 0.000 1.493 680 N HN -0.032 nan 8.380 nan 0.000 0.498 681 S N -0.437 115.267 115.700 0.007 0.000 2.440 681 S HA -0.156 4.314 4.470 0.001 0.000 0.238 681 S C 0.952 175.584 174.600 0.052 0.000 1.010 681 S CA 1.287 59.498 58.200 0.019 0.000 0.972 681 S CB -0.430 62.770 63.200 -0.001 0.000 0.774 681 S HN 0.697 nan 8.310 nan 0.000 0.501 682 E N 0.640 120.861 120.200 0.036 0.000 2.216 682 E HA -0.043 4.307 4.350 0.001 0.000 0.192 682 E C 2.283 178.889 176.600 0.011 0.000 0.988 682 E CA 1.449 57.879 56.400 0.050 0.000 0.834 682 E CB 0.007 29.714 29.700 0.012 0.000 0.772 682 E HN 0.763 nan 8.360 nan 0.000 0.479 683 T N -2.725 111.802 114.554 -0.045 0.000 2.964 683 T HA 0.076 4.426 4.350 0.001 0.000 0.249 683 T C 0.712 175.400 174.700 -0.021 0.000 1.000 683 T CA -0.429 61.550 62.100 -0.201 0.000 0.992 683 T CB 0.064 68.818 68.868 -0.190 0.000 1.087 683 T HN -0.107 nan 8.240 nan 0.000 0.489 684 N N 2.584 121.320 118.700 0.060 0.000 2.419 684 N HA 0.255 4.995 4.740 0.001 0.000 0.264 684 N C -2.180 173.411 175.510 0.136 0.000 1.031 684 N CA -1.900 51.203 53.050 0.087 0.000 0.951 684 N CB 2.178 40.684 38.487 0.031 0.000 1.101 684 N HN -0.070 nan 8.380 nan 0.000 0.488 685 P HA -0.121 nan 4.420 nan 0.000 0.216 685 P C 1.502 178.830 177.300 0.047 0.000 1.150 685 P CA 0.763 63.922 63.100 0.098 0.000 0.837 685 P CB 0.416 32.161 31.700 0.075 0.000 0.786 686 V N -0.243 119.693 119.914 0.038 0.000 2.261 686 V HA -0.231 3.889 4.120 0.001 0.000 0.246 686 V C 2.533 178.634 176.094 0.011 0.000 1.047 686 V CA 1.689 64.001 62.300 0.020 0.000 1.015 686 V CB -1.390 30.441 31.823 0.013 0.000 0.642 686 V HN 0.048 nan 8.190 nan 0.000 0.446 687 L N -0.696 120.535 121.223 0.014 0.000 2.083 687 L HA -0.203 4.137 4.340 0.001 0.000 0.209 687 L C 2.488 179.356 176.870 -0.003 0.000 1.083 687 L CA 1.525 56.367 54.840 0.002 0.000 0.752 687 L CB -0.598 41.464 42.059 0.005 0.000 0.899 687 L HN 0.351 nan 8.230 nan 0.000 0.433 688 L N 0.107 121.343 121.223 0.022 0.000 2.017 688 L HA -0.169 4.171 4.340 0.001 0.000 0.208 688 L C 2.675 179.521 176.870 -0.039 0.000 1.073 688 L CA 1.831 56.678 54.840 0.013 0.000 0.745 688 L CB -0.395 41.705 42.059 0.068 0.000 0.894 688 L HN 0.144 nan 8.230 nan 0.000 0.432 689 A N -0.473 122.329 122.820 -0.030 0.000 1.930 689 A HA -0.201 4.119 4.320 0.001 0.000 0.217 689 A C 2.404 179.934 177.584 -0.090 0.000 1.175 689 A CA 1.677 53.684 52.037 -0.049 0.000 0.627 689 A CB -0.556 18.439 19.000 -0.007 0.000 0.815 689 A HN 0.488 nan 8.150 nan 0.000 0.443 690 R N -0.968 119.494 120.500 -0.065 0.000 2.081 690 R HA -0.116 4.224 4.340 0.001 0.000 0.235 690 R C 2.529 178.749 176.300 -0.133 0.000 1.131 690 R CA 1.609 57.663 56.100 -0.077 0.000 0.960 690 R CB -0.270 30.005 30.300 -0.042 0.000 0.856 690 R HN 0.600 nan 8.270 nan 0.000 0.436 691 R N 0.175 120.598 120.500 -0.129 0.000 2.083 691 R HA -0.149 4.192 4.340 0.001 0.000 0.237 691 R C 2.047 178.168 176.300 -0.299 0.000 1.137 691 R CA 1.633 57.632 56.100 -0.168 0.000 0.951 691 R CB -0.035 30.193 30.300 -0.121 0.000 0.851 691 R HN 0.097 nan 8.270 nan 0.000 0.434 692 M N 0.306 119.700 119.600 -0.343 0.000 2.117 692 M HA -0.080 4.400 4.480 0.001 0.000 0.262 692 M C 2.466 178.317 176.300 -0.749 0.000 1.065 692 M CA 1.752 56.709 55.300 -0.571 0.000 1.114 692 M CB -1.274 31.104 32.600 -0.370 0.000 1.361 692 M HN 0.317 nan 8.290 nan 0.000 0.408 693 A N 0.706 123.102 122.820 -0.707 0.000 1.883 693 A HA -0.183 4.138 4.320 0.001 0.000 0.217 693 A C 2.457 179.684 177.584 -0.595 0.000 1.186 693 A CA 2.842 54.232 52.037 -1.078 0.000 0.624 693 A CB -1.076 17.677 19.000 -0.412 0.000 0.822 693 A HN 0.621 nan 8.150 nan 0.000 0.444 694 S N -0.709 114.796 115.700 -0.325 0.000 2.453 694 S HA 0.019 4.489 4.470 0.001 0.000 0.231 694 S C 1.779 176.281 174.600 -0.164 0.000 1.005 694 S CA 1.193 59.291 58.200 -0.171 0.000 0.949 694 S CB -0.527 62.603 63.200 -0.115 0.000 0.774 694 S HN 0.470 nan 8.310 nan 0.000 0.510 695 I N -0.708 119.696 120.570 -0.277 0.000 2.585 695 I HA 0.023 4.194 4.170 0.001 0.000 0.254 695 I C 1.877 177.971 176.117 -0.040 0.000 1.129 695 I CA 0.845 62.015 61.300 -0.218 0.000 1.455 695 I CB -0.072 37.693 38.000 -0.391 0.000 1.111 695 I HN 0.251 nan 8.210 nan 0.000 0.433 696 Y N -0.890 119.287 120.300 -0.205 0.000 2.500 696 Y HA 0.129 4.679 4.550 0.001 0.000 0.284 696 Y C 2.085 178.013 175.900 0.046 0.000 1.118 696 Y CA -0.255 57.755 58.100 -0.149 0.000 1.241 696 Y CB -0.808 37.559 38.460 -0.155 0.000 1.171 696 Y HN -0.012 nan 8.280 nan 0.000 0.540 697 F N 0.508 120.517 119.950 0.098 0.000 2.325 697 F HA -0.043 4.485 4.527 0.001 0.000 0.299 697 F C 1.345 177.153 175.800 0.013 0.000 1.090 697 F CA 0.609 58.633 58.000 0.040 0.000 1.392 697 F CB -0.630 38.384 39.000 0.024 0.000 1.053 697 F HN 0.031 nan 8.300 nan 0.000 0.521 698 D N -0.630 119.877 120.400 0.177 0.000 2.340 698 D HA -0.020 4.621 4.640 0.001 0.000 0.217 698 D C 0.286 176.622 176.300 0.060 0.000 1.081 698 D CA 0.248 54.305 54.000 0.095 0.000 0.842 698 D CB -0.234 40.603 40.800 0.061 0.000 0.934 698 D HN 0.082 nan 8.370 nan 0.000 0.511 699 N N 0.908 119.648 118.700 0.066 0.000 2.609 699 N HA 0.197 4.938 4.740 0.001 0.000 0.234 699 N C 0.869 176.380 175.510 0.003 0.000 1.001 699 N CA -0.228 52.837 53.050 0.026 0.000 0.926 699 N CB 1.369 39.868 38.487 0.019 0.000 1.130 699 N HN -0.163 nan 8.380 nan 0.000 0.510 700 A N 3.217 126.038 122.820 0.001 0.000 1.917 700 A HA -0.131 4.189 4.320 0.001 0.000 0.219 700 A C 1.934 179.498 177.584 -0.032 0.000 1.182 700 A CA 2.109 54.141 52.037 -0.009 0.000 0.633 700 A CB -0.995 18.002 19.000 -0.005 0.000 0.819 700 A HN 0.663 nan 8.150 nan 0.000 0.448 701 G N -0.537 108.236 108.800 -0.044 0.000 2.432 701 G HA2 -0.140 3.821 3.960 0.001 0.000 0.219 701 G HA3 -0.140 3.821 3.960 0.001 0.000 0.219 701 G C 1.486 176.309 174.900 -0.127 0.000 1.135 701 G CA 1.193 46.257 45.100 -0.060 0.000 0.767 701 G HN 0.517 nan 8.290 nan 0.000 0.550 702 I N -0.013 120.426 120.570 -0.219 0.000 2.628 702 I HA -0.026 4.144 4.170 0.001 0.000 0.255 702 I C 2.905 178.846 176.117 -0.293 0.000 1.119 702 I CA 0.810 61.811 61.300 -0.499 0.000 1.448 702 I CB -0.118 37.403 38.000 -0.799 0.000 1.133 702 I HN 0.232 nan 8.210 nan 0.000 0.438 703 S N 1.230 116.867 115.700 -0.104 0.000 2.387 703 S HA -0.283 4.187 4.470 0.001 0.000 0.230 703 S C 2.521 177.113 174.600 -0.014 0.000 1.035 703 S CA 2.075 60.279 58.200 0.006 0.000 1.014 703 S CB -0.312 62.920 63.200 0.053 0.000 0.836 703 S HN 0.449 nan 8.310 nan 0.000 0.466 704 R N 0.547 121.030 120.500 -0.027 0.000 2.193 704 R HA 0.089 4.429 4.340 0.001 0.000 0.229 704 R C 2.054 178.360 176.300 0.010 0.000 1.110 704 R CA 1.763 57.858 56.100 -0.009 0.000 0.988 704 R CB -1.366 28.928 30.300 -0.010 0.000 0.871 704 R HN 0.797 nan 8.270 nan 0.000 0.458 705 Q N -0.670 119.136 119.800 0.009 0.000 2.444 705 Q HA 0.264 4.604 4.340 0.001 0.000 0.206 705 Q C -0.134 175.915 176.000 0.082 0.000 0.948 705 Q CA 0.079 55.919 55.803 0.061 0.000 0.946 705 Q CB 0.158 28.980 28.738 0.141 0.000 1.027 705 Q HN 0.581 nan 8.270 nan 0.000 0.513 706 I N 0.246 120.856 120.570 0.067 0.000 2.437 706 I HA 0.127 4.297 4.170 0.001 0.000 0.298 706 I C -0.038 176.137 176.117 0.097 0.000 0.984 706 I CA -1.080 60.278 61.300 0.097 0.000 1.214 706 I CB 1.027 39.100 38.000 0.120 0.000 1.365 706 I HN 0.026 nan 8.210 nan 0.000 0.469 707 H N 5.053 124.123 119.070 -0.001 0.000 2.848 707 H HA 0.037 4.593 4.556 0.001 0.000 0.317 707 H C 0.715 176.016 175.328 -0.044 0.000 1.046 707 H CA 0.170 56.205 56.048 -0.021 0.000 1.470 707 H CB 1.326 31.077 29.762 -0.018 0.000 1.483 707 H HN 0.420 nan 8.280 nan 0.000 0.548 708 V N 4.851 124.568 119.914 -0.328 0.000 2.453 708 V HA -0.263 3.857 4.120 0.001 0.000 0.252 708 V C 2.156 177.992 176.094 -0.430 0.000 1.068 708 V CA 2.566 64.664 62.300 -0.337 0.000 1.070 708 V CB -0.394 31.289 31.823 -0.234 0.000 0.664 708 V HN 0.735 nan 8.190 nan 0.000 0.461 709 K N 0.793 120.746 120.400 -0.746 0.000 2.057 709 K HA -0.111 4.209 4.320 0.001 0.000 0.206 709 K C 1.745 178.213 176.600 -0.221 0.000 1.050 709 K CA 2.106 58.132 56.287 -0.434 0.000 0.935 709 K CB -0.604 31.665 32.500 -0.385 0.000 0.715 709 K HN 0.614 nan 8.250 nan 0.000 0.439 710 N N 0.391 118.995 118.700 -0.160 0.000 2.120 710 N HA -0.132 4.608 4.740 0.001 0.000 0.188 710 N C 1.436 176.905 175.510 -0.067 0.000 1.024 710 N CA 1.393 54.424 53.050 -0.032 0.000 0.852 710 N CB -0.107 38.414 38.487 0.058 0.000 1.003 710 N HN 0.223 nan 8.380 nan 0.000 0.424 711 K N 1.002 121.296 120.400 -0.177 0.000 2.097 711 K HA -0.132 4.189 4.320 0.001 0.000 0.206 711 K C 1.577 177.977 176.600 -0.333 0.000 1.049 711 K CA 1.252 57.298 56.287 -0.402 0.000 0.933 711 K CB 0.042 32.210 32.500 -0.554 0.000 0.717 711 K HN 0.248 nan 8.250 nan 0.000 0.442 712 E N 0.325 120.385 120.200 -0.234 0.000 2.031 712 E HA -0.197 4.153 4.350 0.001 0.000 0.193 712 E C 1.978 178.520 176.600 -0.096 0.000 0.994 712 E CA 1.309 57.612 56.400 -0.162 0.000 0.800 712 E CB -0.033 29.580 29.700 -0.146 0.000 0.752 712 E HN 0.246 nan 8.360 nan 0.000 0.447 713 I N 1.025 121.552 120.570 -0.072 0.000 2.208 713 I HA -0.302 3.868 4.170 0.001 0.000 0.245 713 I C 2.670 178.791 176.117 0.007 0.000 1.097 713 I CA 0.875 62.159 61.300 -0.028 0.000 1.363 713 I CB -1.497 36.493 38.000 -0.016 0.000 1.051 713 I HN 0.345 nan 8.210 nan 0.000 0.413 714 C N 0.961 120.281 119.300 0.034 0.000 2.436 714 C HA -0.184 4.276 4.460 0.001 0.000 0.277 714 C C 3.081 178.142 174.990 0.119 0.000 1.241 714 C CA 0.711 59.802 59.018 0.122 0.000 1.721 714 C CB -0.700 27.217 27.740 0.295 0.000 2.043 714 C HN 0.405 nan 8.230 nan 0.000 0.472 715 M N -0.097 119.546 119.600 0.072 0.000 2.106 715 M HA -0.157 4.324 4.480 0.001 0.000 0.259 715 M C 2.111 178.430 176.300 0.032 0.000 1.068 715 M CA 1.547 56.882 55.300 0.058 0.000 1.100 715 M CB -1.554 31.032 32.600 -0.022 0.000 1.351 715 M HN 0.396 nan 8.290 nan 0.000 0.404 716 L N 0.756 121.984 121.223 0.007 0.000 1.989 716 L HA -0.169 4.172 4.340 0.001 0.000 0.211 716 L C 2.368 179.251 176.870 0.020 0.000 1.071 716 L CA 1.750 56.593 54.840 0.004 0.000 0.749 716 L CB -0.895 41.159 42.059 -0.008 0.000 0.890 716 L HN 0.222 nan 8.230 nan 0.000 0.431 717 L N -1.466 119.774 121.223 0.029 0.000 2.042 717 L HA -0.282 4.058 4.340 0.001 0.000 0.210 717 L C 2.498 179.391 176.870 0.039 0.000 1.076 717 L CA 1.287 56.147 54.840 0.034 0.000 0.749 717 L CB -0.642 41.438 42.059 0.036 0.000 0.893 717 L HN 0.313 nan 8.230 nan 0.000 0.432 718 L N -0.465 120.789 121.223 0.050 0.000 2.017 718 L HA -0.229 4.111 4.340 0.001 0.000 0.208 718 L C 2.462 179.353 176.870 0.036 0.000 1.073 718 L CA 1.141 56.009 54.840 0.047 0.000 0.745 718 L CB -0.733 41.365 42.059 0.065 0.000 0.894 718 L HN 0.355 nan 8.230 nan 0.000 0.432 719 N N 0.472 119.191 118.700 0.032 0.000 2.094 719 N HA -0.194 4.546 4.740 0.001 0.000 0.191 719 N C 1.866 177.392 175.510 0.026 0.000 1.023 719 N CA 1.548 54.611 53.050 0.023 0.000 0.857 719 N CB -0.329 38.164 38.487 0.010 0.000 1.013 719 N HN 0.352 nan 8.380 nan 0.000 0.426 720 I N 0.808 121.395 120.570 0.028 0.000 2.394 720 I HA -0.223 3.948 4.170 0.001 0.000 0.251 720 I C 2.346 178.486 176.117 0.039 0.000 1.136 720 I CA 0.974 62.294 61.300 0.032 0.000 1.425 720 I CB -0.264 37.754 38.000 0.030 0.000 1.079 720 I HN 0.187 nan 8.210 nan 0.000 0.425 721 S N -0.148 115.574 115.700 0.036 0.000 2.387 721 S HA -0.113 4.357 4.470 0.001 0.000 0.226 721 S C 2.098 176.723 174.600 0.041 0.000 1.026 721 S CA 1.198 59.420 58.200 0.037 0.000 0.972 721 S CB -0.379 62.839 63.200 0.029 0.000 0.814 721 S HN 0.334 nan 8.310 nan 0.000 0.477 722 S N 2.372 118.094 115.700 0.038 0.000 2.359 722 S HA 0.020 4.491 4.470 0.001 0.000 0.224 722 S C 1.797 176.431 174.600 0.057 0.000 1.035 722 S CA 1.536 59.760 58.200 0.040 0.000 1.018 722 S CB -0.658 62.560 63.200 0.031 0.000 0.876 722 S HN 0.519 nan 8.310 nan 0.000 0.448 723 I N 1.191 121.797 120.570 0.060 0.000 2.194 723 I HA -0.227 3.943 4.170 0.001 0.000 0.246 723 I C 2.797 178.991 176.117 0.128 0.000 1.093 723 I CA 1.120 62.470 61.300 0.083 0.000 1.355 723 I CB -0.263 37.776 38.000 0.066 0.000 1.046 723 I HN 0.183 nan 8.210 nan 0.000 0.413 724 R N 0.883 121.452 120.500 0.115 0.000 2.081 724 R HA -0.168 4.173 4.340 0.001 0.000 0.235 724 R C 2.035 178.459 176.300 0.206 0.000 1.131 724 R CA 1.487 57.683 56.100 0.161 0.000 0.960 724 R CB -0.512 29.849 30.300 0.102 0.000 0.856 724 R HN 0.551 nan 8.270 nan 0.000 0.436 725 E N 0.412 120.691 120.200 0.132 0.000 2.107 725 E HA -0.103 4.247 4.350 0.001 0.000 0.191 725 E C 2.232 178.918 176.600 0.144 0.000 0.982 725 E CA 0.675 57.151 56.400 0.128 0.000 0.809 725 E CB -0.166 29.570 29.700 0.060 0.000 0.756 725 E HN 0.224 nan 8.360 nan 0.000 0.459 726 L N 0.339 121.624 121.223 0.104 0.000 2.013 726 L HA -0.251 4.089 4.340 0.001 0.000 0.212 726 L C 2.642 179.530 176.870 0.030 0.000 1.073 726 L CA 1.572 56.443 54.840 0.051 0.000 0.753 726 L CB -0.609 41.487 42.059 0.061 0.000 0.890 726 L HN 0.183 nan 8.230 nan 0.000 0.432 727 Y N -0.023 120.293 120.300 0.026 0.000 2.181 727 Y HA -0.336 4.215 4.550 0.000 0.000 0.288 727 Y C 2.397 178.299 175.900 0.004 0.000 1.146 727 Y CA 1.504 59.626 58.100 0.037 0.000 1.164 727 Y CB -0.406 38.137 38.460 0.140 0.000 0.982 727 Y HN 0.126 nan 8.280 nan 0.000 0.515 728 F N 1.061 120.968 119.950 -0.071 0.000 2.186 728 F HA -0.169 4.358 4.527 0.001 0.000 0.299 728 F C 1.717 177.376 175.800 -0.235 0.000 1.090 728 F CA 1.772 59.689 58.000 -0.138 0.000 1.307 728 F CB -0.447 38.550 39.000 -0.005 0.000 1.019 728 F HN 0.017 nan 8.300 nan 0.000 0.489 729 N N 1.013 119.573 118.700 -0.234 0.000 2.383 729 N HA -0.023 4.718 4.740 0.001 0.000 0.192 729 N C -0.051 175.136 175.510 -0.540 0.000 1.141 729 N CA 0.493 53.337 53.050 -0.344 0.000 0.851 729 N CB -0.020 38.401 38.487 -0.111 0.000 0.976 729 N HN 0.334 nan 8.380 nan 0.000 0.465 730 K N -0.033 119.864 120.400 -0.839 0.000 3.192 730 K HA -0.187 4.133 4.320 0.001 0.000 0.278 730 K C -0.544 175.127 176.600 -1.548 0.000 1.164 730 K CA 0.386 55.713 56.287 -1.600 0.000 0.816 730 K CB -1.674 30.200 32.500 -1.044 0.000 1.256 730 K HN 0.343 nan 8.250 nan 0.000 0.497 731 Q N 0.126 119.422 119.800 -0.841 0.000 3.027 731 Q HA 0.038 4.379 4.340 0.001 0.000 0.260 731 Q C 0.412 176.259 176.000 -0.255 0.000 1.379 731 Q CA -0.272 55.247 55.803 -0.473 0.000 1.038 731 Q CB -0.132 28.478 28.738 -0.213 0.000 1.578 731 Q HN 0.359 nan 8.270 nan 0.000 0.571 732 W N 0.551 121.873 121.300 0.038 0.000 2.321 732 W HA -0.287 4.373 4.660 0.001 0.000 0.306 732 W C 2.289 178.859 176.519 0.085 0.000 1.217 732 W CA 0.914 58.303 57.345 0.074 0.000 1.257 732 W CB -0.048 29.443 29.460 0.052 0.000 1.145 732 W HN 0.469 nan 8.180 nan 0.000 0.509 733 Q N 1.056 121.018 119.800 0.270 0.000 2.062 733 Q HA -0.188 4.152 4.340 0.001 0.000 0.196 733 Q C 2.038 178.117 176.000 0.131 0.000 0.967 733 Q CA 1.931 57.847 55.803 0.188 0.000 0.832 733 Q CB -0.397 28.432 28.738 0.150 0.000 0.899 733 Q HN 0.160 nan 8.270 nan 0.000 0.442 734 E N -0.523 119.730 120.200 0.088 0.000 2.110 734 E HA -0.121 4.229 4.350 0.001 0.000 0.193 734 E C 1.731 178.376 176.600 0.075 0.000 0.988 734 E CA 1.899 58.334 56.400 0.059 0.000 0.804 734 E CB -0.462 29.254 29.700 0.026 0.000 0.745 734 E HN 0.483 nan 8.360 nan 0.000 0.458 735 T N 1.150 115.770 114.554 0.109 0.000 2.635 735 T HA -0.187 4.163 4.350 0.001 0.000 0.267 735 T C 1.885 176.675 174.700 0.150 0.000 1.040 735 T CA 1.609 63.799 62.100 0.149 0.000 1.156 735 T CB -0.415 68.603 68.868 0.250 0.000 0.863 735 T HN 0.135 nan 8.240 nan 0.000 0.430 736 L N 1.403 122.739 121.223 0.188 0.000 2.012 736 L HA -0.172 4.168 4.340 0.001 0.000 0.210 736 L C 2.999 179.927 176.870 0.098 0.000 1.073 736 L CA 1.800 56.766 54.840 0.209 0.000 0.748 736 L CB -0.857 41.350 42.059 0.247 0.000 0.891 736 L HN 0.426 nan 8.230 nan 0.000 0.431 737 S N -1.262 114.471 115.700 0.054 0.000 2.402 737 S HA -0.180 4.290 4.470 0.001 0.000 0.229 737 S C 1.884 176.440 174.600 -0.074 0.000 1.021 737 S CA 0.629 58.813 58.200 -0.027 0.000 0.974 737 S CB -0.288 62.912 63.200 0.001 0.000 0.800 737 S HN 0.406 nan 8.310 nan 0.000 0.484 738 Q N 0.455 120.239 119.800 -0.025 0.000 2.079 738 Q HA -0.012 4.329 4.340 0.001 0.000 0.200 738 Q C 2.173 178.136 176.000 -0.062 0.000 0.974 738 Q CA 1.415 57.199 55.803 -0.031 0.000 0.840 738 Q CB -0.499 28.245 28.738 0.010 0.000 0.898 738 Q HN 0.608 nan 8.270 nan 0.000 0.430 739 M N 1.281 120.860 119.600 -0.034 0.000 2.108 739 M HA -0.208 4.273 4.480 0.001 0.000 0.261 739 M C 1.864 177.998 176.300 -0.277 0.000 1.066 739 M CA 1.741 57.019 55.300 -0.037 0.000 1.107 739 M CB -0.196 32.485 32.600 0.136 0.000 1.356 739 M HN 0.204 nan 8.290 nan 0.000 0.406 740 E N -0.419 119.426 120.200 -0.592 0.000 2.106 740 E HA -0.165 4.185 4.350 0.001 0.000 0.192 740 E C 1.792 178.096 176.600 -0.493 0.000 0.984 740 E CA 1.092 56.846 56.400 -1.078 0.000 0.806 740 E CB -0.244 28.788 29.700 -1.114 0.000 0.750 740 E HN 0.606 nan 8.360 nan 0.000 0.458 741 L N 0.689 121.744 121.223 -0.279 0.000 2.456 741 L HA -0.130 4.210 4.340 0.001 0.000 0.224 741 L C 1.998 178.794 176.870 -0.123 0.000 1.148 741 L CA -0.141 54.601 54.840 -0.162 0.000 0.825 741 L CB -0.154 41.842 42.059 -0.104 0.000 0.937 741 L HN 0.247 nan 8.230 nan 0.000 0.450 742 L N -0.219 120.928 121.223 -0.128 0.000 2.191 742 L HA -0.166 4.175 4.340 0.001 0.000 0.212 742 L C 0.899 177.732 176.870 -0.061 0.000 1.103 742 L CA 1.277 56.074 54.840 -0.072 0.000 0.769 742 L CB -0.783 41.249 42.059 -0.045 0.000 0.908 742 L HN 0.297 nan 8.230 nan 0.000 0.438 743 D N -1.970 118.378 120.400 -0.086 0.000 2.723 743 D HA -0.243 4.398 4.640 0.001 0.000 0.236 743 D C 0.912 177.202 176.300 -0.016 0.000 1.138 743 D CA 0.666 54.635 54.000 -0.052 0.000 0.676 743 D CB -1.000 39.774 40.800 -0.042 0.000 1.069 743 D HN 0.299 nan 8.370 nan 0.000 0.430 744 L N -1.290 119.930 121.223 -0.006 0.000 2.641 744 L HA 0.282 4.623 4.340 0.001 0.000 0.207 744 L C 1.136 177.985 176.870 -0.035 0.000 1.049 744 L CA -0.169 54.679 54.840 0.014 0.000 0.866 744 L CB 0.141 42.220 42.059 0.033 0.000 1.264 744 L HN 0.027 nan 8.230 nan 0.000 0.483 745 L N 1.331 122.545 121.223 -0.014 0.000 2.399 745 L HA 0.309 4.649 4.340 0.001 0.000 0.265 745 L C -2.071 174.786 176.870 -0.021 0.000 1.089 745 L CA -1.720 53.035 54.840 -0.142 0.000 0.802 745 L CB 0.661 42.738 42.059 0.030 0.000 1.180 745 L HN -0.118 nan 8.230 nan 0.000 0.454 746 P HA 0.147 nan 4.420 nan 0.000 0.252 746 P C -0.740 176.525 177.300 -0.059 0.000 1.727 746 P CA -0.014 63.036 63.100 -0.083 0.000 1.134 746 P CB -0.222 31.397 31.700 -0.136 0.000 1.876 754 R N 0.542 121.107 120.500 0.109 0.000 2.103 754 R HA -0.172 4.169 4.340 0.001 0.000 0.242 754 R C 2.504 178.863 176.300 0.097 0.000 1.142 754 R CA 2.646 58.798 56.100 0.087 0.000 0.960 754 R CB -0.463 29.867 30.300 0.050 0.000 0.858 754 R HN 0.626 nan 8.270 nan 0.000 0.439 755 K N 1.599 122.054 120.400 0.092 0.000 2.044 755 K HA -0.220 4.100 4.320 0.001 0.000 0.210 755 K C 1.919 178.595 176.600 0.126 0.000 1.049 755 K CA 1.980 58.320 56.287 0.088 0.000 0.927 755 K CB -0.475 32.066 32.500 0.069 0.000 0.713 755 K HN 0.285 nan 8.250 nan 0.000 0.443 756 K N -0.640 119.865 120.400 0.176 0.000 2.228 756 K HA 0.168 4.488 4.320 0.001 0.000 0.202 756 K C 2.550 179.395 176.600 0.409 0.000 1.051 756 K CA 0.749 57.192 56.287 0.260 0.000 0.960 756 K CB -0.028 32.599 32.500 0.212 0.000 0.743 756 K HN 0.395 nan 8.250 nan 0.000 0.458 757 A N 0.951 123.977 122.820 0.344 0.000 2.015 757 A HA -0.183 4.137 4.320 0.001 0.000 0.219 757 A C 1.923 179.569 177.584 0.104 0.000 1.163 757 A CA 1.193 53.281 52.037 0.084 0.000 0.646 757 A CB -0.238 18.691 19.000 -0.118 0.000 0.806 757 A HN 0.251 nan 8.150 nan 0.000 0.448 758 Q N -0.566 119.304 119.800 0.116 0.000 2.123 758 Q HA -0.121 4.220 4.340 0.001 0.000 0.199 758 Q C 1.074 177.147 176.000 0.121 0.000 0.966 758 Q CA 1.387 57.246 55.803 0.093 0.000 0.845 758 Q CB -0.029 28.750 28.738 0.068 0.000 0.907 758 Q HN 0.544 nan 8.270 nan 0.000 0.439 759 D N -0.298 120.189 120.400 0.144 0.000 2.312 759 D HA -0.112 4.528 4.640 0.001 0.000 0.211 759 D C 1.042 177.431 176.300 0.149 0.000 0.964 759 D CA 0.324 54.399 54.000 0.124 0.000 0.877 759 D CB -0.104 40.763 40.800 0.112 0.000 0.924 759 D HN 0.158 nan 8.370 nan 0.000 0.515 760 F N 1.369 121.356 119.950 0.062 0.000 2.192 760 F HA -0.247 4.280 4.527 0.001 0.000 0.301 760 F C 2.060 177.876 175.800 0.027 0.000 1.079 760 F CA 1.125 59.156 58.000 0.051 0.000 1.303 760 F CB 0.038 39.033 39.000 -0.008 0.000 1.024 760 F HN -0.131 nan 8.300 nan 0.000 0.494 761 S N -0.046 115.742 115.700 0.147 0.000 2.453 761 S HA -0.102 4.369 4.470 0.001 0.000 0.231 761 S C 1.379 175.964 174.600 -0.024 0.000 1.005 761 S CA 0.943 59.180 58.200 0.061 0.000 0.949 761 S CB -0.299 62.954 63.200 0.089 0.000 0.774 761 S HN 0.488 nan 8.310 nan 0.000 0.510 762 N N 0.951 119.637 118.700 -0.024 0.000 2.280 762 N HA 0.227 4.967 4.740 0.001 0.000 0.192 762 N C 0.094 175.564 175.510 -0.066 0.000 1.109 762 N CA 0.046 53.078 53.050 -0.030 0.000 0.855 762 N CB 0.034 38.521 38.487 -0.001 0.000 0.974 762 N HN 0.367 nan 8.380 nan 0.000 0.482 763 L N 1.297 122.440 121.223 -0.134 0.000 2.483 763 L HA 0.005 4.345 4.340 0.001 0.000 0.276 763 L C 0.753 177.542 176.870 -0.136 0.000 1.213 763 L CA -0.146 54.599 54.840 -0.158 0.000 0.843 763 L CB 0.266 42.152 42.059 -0.287 0.000 1.107 763 L HN 0.006 nan 8.230 nan 0.000 0.487 764 D N 0.723 121.067 120.400 -0.093 0.000 2.449 764 D HA -0.093 4.548 4.640 0.001 0.000 0.236 764 D C 0.855 177.105 176.300 -0.085 0.000 1.149 764 D CA 0.063 54.022 54.000 -0.067 0.000 0.878 764 D CB 0.721 41.494 40.800 -0.044 0.000 1.198 764 D HN 0.446 nan 8.370 nan 0.000 0.446 765 D N 2.049 122.413 120.400 -0.060 0.000 2.218 765 D HA -0.144 4.496 4.640 0.001 0.000 0.204 765 D C 1.095 177.371 176.300 -0.040 0.000 0.976 765 D CA 0.974 54.942 54.000 -0.054 0.000 0.853 765 D CB -0.074 40.709 40.800 -0.029 0.000 0.939 765 D HN 0.499 nan 8.370 nan 0.000 0.481 766 N N 0.183 118.866 118.700 -0.030 0.000 2.216 766 N HA -0.075 4.665 4.740 0.001 0.000 0.183 766 N C 1.720 177.220 175.510 -0.016 0.000 1.017 766 N CA 0.291 53.332 53.050 -0.015 0.000 0.861 766 N CB 0.250 38.733 38.487 -0.007 0.000 0.986 766 N HN 0.036 nan 8.380 nan 0.000 0.428 767 I N 0.798 121.346 120.570 -0.035 0.000 2.286 767 I HA -0.138 4.033 4.170 0.001 0.000 0.245 767 I C 2.446 178.542 176.117 -0.035 0.000 1.104 767 I CA 0.919 62.201 61.300 -0.031 0.000 1.397 767 I CB -1.430 36.543 38.000 -0.044 0.000 1.072 767 I HN 0.066 nan 8.210 nan 0.000 0.417 768 V N 1.152 121.003 119.914 -0.106 0.000 2.469 768 V HA -0.242 3.879 4.120 0.001 0.000 0.251 768 V C 2.176 178.303 176.094 0.055 0.000 1.064 768 V CA 1.941 64.161 62.300 -0.134 0.000 1.066 768 V CB -1.490 30.122 31.823 -0.352 0.000 0.667 768 V HN 0.527 nan 8.190 nan 0.000 0.461 769 K N 0.706 121.131 120.400 0.041 0.000 2.486 769 K HA 0.054 4.374 4.320 0.001 0.000 0.194 769 K C 1.491 178.137 176.600 0.076 0.000 1.033 769 K CA 1.218 57.547 56.287 0.070 0.000 1.004 769 K CB -0.439 32.090 32.500 0.048 0.000 0.798 769 K HN 0.504 nan 8.250 nan 0.000 0.495 770 N N 0.972 119.714 118.700 0.070 0.000 2.388 770 N HA 0.065 4.805 4.740 0.001 0.000 0.176 770 N C 1.556 177.125 175.510 0.098 0.000 1.062 770 N CA 0.338 53.429 53.050 0.070 0.000 0.895 770 N CB 0.198 38.714 38.487 0.049 0.000 1.018 770 N HN 0.123 nan 8.380 nan 0.000 0.456 771 I N 2.106 122.765 120.570 0.149 0.000 2.151 771 I HA -0.169 4.001 4.170 0.001 0.000 0.243 771 I C -0.595 175.630 176.117 0.181 0.000 1.080 771 I CA 1.580 63.008 61.300 0.213 0.000 1.339 771 I CB -2.204 36.034 38.000 0.395 0.000 1.039 771 I HN -0.016 nan 8.210 nan 0.000 0.409 772 P HA -0.117 nan 4.420 nan 0.000 0.215 772 P C 1.381 178.726 177.300 0.075 0.000 1.153 772 P CA 1.437 64.609 63.100 0.119 0.000 0.853 772 P CB -0.087 31.678 31.700 0.108 0.000 0.788 773 N N -0.866 117.869 118.700 0.057 0.000 2.166 773 N HA -0.086 4.654 4.740 0.001 0.000 0.186 773 N C 1.762 177.264 175.510 -0.014 0.000 1.019 773 N CA 0.917 53.975 53.050 0.014 0.000 0.856 773 N CB -1.003 37.493 38.487 0.015 0.000 0.993 773 N HN 0.135 nan 8.380 nan 0.000 0.426 774 L N 0.399 121.638 121.223 0.026 0.000 2.013 774 L HA -0.183 4.158 4.340 0.001 0.000 0.212 774 L C 2.121 179.004 176.870 0.023 0.000 1.073 774 L CA 1.061 55.918 54.840 0.028 0.000 0.753 774 L CB -0.514 41.587 42.059 0.070 0.000 0.890 774 L HN 0.172 nan 8.230 nan 0.000 0.432 775 L N -0.619 120.633 121.223 0.049 0.000 2.083 775 L HA -0.222 4.118 4.340 0.001 0.000 0.209 775 L C 2.431 179.293 176.870 -0.013 0.000 1.083 775 L CA 1.236 56.096 54.840 0.034 0.000 0.752 775 L CB -0.295 41.813 42.059 0.083 0.000 0.899 775 L HN 0.216 nan 8.230 nan 0.000 0.433 776 I N -0.529 120.025 120.570 -0.027 0.000 2.439 776 I HA -0.263 3.907 4.170 0.001 0.000 0.251 776 I C 2.266 178.318 176.117 -0.109 0.000 1.139 776 I CA 1.220 62.488 61.300 -0.053 0.000 1.438 776 I CB -0.038 37.938 38.000 -0.040 0.000 1.085 776 I HN 0.192 nan 8.210 nan 0.000 0.427 777 I N -0.016 120.437 120.570 -0.196 0.000 2.233 777 I HA -0.223 3.947 4.170 0.001 0.000 0.243 777 I C 2.512 178.592 176.117 -0.061 0.000 1.093 777 I CA 1.285 62.370 61.300 -0.359 0.000 1.380 777 I CB -0.510 37.225 38.000 -0.441 0.000 1.067 777 I HN 0.147 nan 8.210 nan 0.000 0.413 778 T N 1.463 116.011 114.554 -0.011 0.000 2.652 778 T HA -0.152 4.198 4.350 0.001 0.000 0.267 778 T C 1.947 176.648 174.700 0.001 0.000 1.039 778 T CA 1.365 63.489 62.100 0.040 0.000 1.153 778 T CB -0.320 68.559 68.868 0.018 0.000 0.863 778 T HN 0.229 nan 8.240 nan 0.000 0.428 779 L N 0.801 122.003 121.223 -0.034 0.000 2.201 779 L HA -0.034 4.306 4.340 0.001 0.000 0.212 779 L C 2.767 179.610 176.870 -0.045 0.000 1.105 779 L CA 1.046 55.852 54.840 -0.055 0.000 0.775 779 L CB -0.459 41.560 42.059 -0.067 0.000 0.913 779 L HN 0.317 nan 8.230 nan 0.000 0.440 780 S N -1.365 114.332 115.700 -0.004 0.000 2.446 780 S HA -0.113 4.357 4.470 0.001 0.000 0.225 780 S C 2.063 176.636 174.600 -0.044 0.000 1.016 780 S CA 0.467 58.667 58.200 0.001 0.000 0.943 780 S CB -0.133 63.143 63.200 0.125 0.000 0.786 780 S HN 0.472 nan 8.310 nan 0.000 0.508 781 C N 0.965 120.331 119.300 0.110 0.000 2.450 781 C HA 0.220 4.681 4.460 0.001 0.000 0.279 781 C C 2.372 177.343 174.990 -0.031 0.000 1.335 781 C CA 0.241 59.344 59.018 0.141 0.000 1.749 781 C CB -1.303 26.650 27.740 0.355 0.000 1.963 781 C HN 0.634 nan 8.230 nan 0.000 0.501 782 I N 0.390 120.940 120.570 -0.033 0.000 2.233 782 I HA -0.164 4.007 4.170 0.001 0.000 0.243 782 I C 2.702 178.749 176.117 -0.115 0.000 1.093 782 I CA 1.630 62.895 61.300 -0.058 0.000 1.380 782 I CB -0.507 37.456 38.000 -0.063 0.000 1.067 782 I HN 0.282 nan 8.210 nan 0.000 0.413 783 S N 1.053 116.666 115.700 -0.145 0.000 2.383 783 S HA -0.198 4.272 4.470 0.001 0.000 0.229 783 S C 1.865 176.325 174.600 -0.232 0.000 1.030 783 S CA 1.698 59.799 58.200 -0.165 0.000 1.002 783 S CB -0.311 62.790 63.200 -0.166 0.000 0.829 783 S HN 0.404 nan 8.310 nan 0.000 0.467 784 N N 0.633 119.086 118.700 -0.412 0.000 2.171 784 N HA 0.033 4.774 4.740 0.001 0.000 0.184 784 N C 1.754 177.064 175.510 -0.333 0.000 1.021 784 N CA 1.154 53.837 53.050 -0.611 0.000 0.854 784 N CB -0.346 37.186 38.487 -1.592 0.000 0.994 784 N HN 0.400 nan 8.380 nan 0.000 0.426 785 M N 0.927 120.393 119.600 -0.223 0.000 2.132 785 M HA -0.011 4.470 4.480 0.001 0.000 0.263 785 M C 2.214 178.452 176.300 -0.104 0.000 1.065 785 M CA 0.865 56.119 55.300 -0.077 0.000 1.122 785 M CB -0.959 31.636 32.600 -0.008 0.000 1.365 785 M HN 0.070 nan 8.290 nan 0.000 0.411 786 I N -0.843 119.667 120.570 -0.100 0.000 2.208 786 I HA -0.360 3.810 4.170 0.001 0.000 0.245 786 I C 2.729 178.792 176.117 -0.090 0.000 1.097 786 I CA 1.350 62.591 61.300 -0.098 0.000 1.363 786 I CB -0.728 37.226 38.000 -0.077 0.000 1.051 786 I HN 0.408 nan 8.210 nan 0.000 0.413 787 H N 1.358 120.338 119.070 -0.150 0.000 2.389 787 H HA -0.119 4.437 4.556 0.001 0.000 0.299 787 H C 2.321 177.587 175.328 -0.105 0.000 1.081 787 H CA 1.665 57.640 56.048 -0.122 0.000 1.345 787 H CB 0.105 29.788 29.762 -0.132 0.000 1.393 787 H HN 0.303 nan 8.280 nan 0.000 0.520 788 I N 0.643 121.172 120.570 -0.068 0.000 2.315 788 I HA -0.257 3.913 4.170 0.001 0.000 0.248 788 I C 2.377 178.337 176.117 -0.262 0.000 1.117 788 I CA 0.667 61.917 61.300 -0.082 0.000 1.404 788 I CB -0.038 37.981 38.000 0.032 0.000 1.071 788 I HN 0.219 nan 8.210 nan 0.000 0.419 789 L N 0.124 121.107 121.223 -0.400 0.000 2.313 789 L HA -0.083 4.257 4.340 0.001 0.000 0.214 789 L C 1.806 178.482 176.870 -0.324 0.000 1.119 789 L CA 0.625 55.077 54.840 -0.646 0.000 0.809 789 L CB -0.500 41.259 42.059 -0.501 0.000 0.933 789 L HN 0.279 nan 8.230 nan 0.000 0.449 790 N N -0.011 118.549 118.700 -0.233 0.000 2.446 790 N HA -0.023 4.717 4.740 0.001 0.000 0.179 790 N C 0.309 175.737 175.510 -0.138 0.000 1.054 790 N CA 0.270 53.223 53.050 -0.163 0.000 0.905 790 N CB 0.095 38.485 38.487 -0.161 0.000 0.973 790 N HN 0.381 nan 8.380 nan 0.000 0.448 791 E N 0.172 120.276 120.200 -0.161 0.000 2.467 791 E HA -0.004 4.346 4.350 0.001 0.000 0.264 791 E C 0.742 177.347 176.600 0.008 0.000 1.020 791 E CA -0.016 56.331 56.400 -0.088 0.000 0.945 791 E CB 0.629 30.303 29.700 -0.044 0.000 0.942 791 E HN 0.030 nan 8.360 nan 0.000 0.449 792 S N 2.247 117.948 115.700 0.002 0.000 2.368 792 S HA -0.199 4.271 4.470 0.001 0.000 0.225 792 S C 1.656 176.281 174.600 0.041 0.000 1.030 792 S CA 1.609 59.821 58.200 0.019 0.000 0.999 792 S CB -0.110 63.093 63.200 0.005 0.000 0.844 792 S HN 0.561 nan 8.310 nan 0.000 0.459 793 K N 0.289 120.713 120.400 0.039 0.000 2.442 793 K HA -0.136 4.184 4.320 0.001 0.000 0.199 793 K C 0.238 176.854 176.600 0.027 0.000 1.044 793 K CA 0.886 57.188 56.287 0.025 0.000 0.941 793 K CB -0.335 32.179 32.500 0.023 0.000 0.759 793 K HN 0.374 nan 8.250 nan 0.000 0.472 794 Y N 3.306 123.593 120.300 -0.022 0.000 2.585 794 Y HA 0.063 4.614 4.550 0.001 0.000 0.354 794 Y C -0.570 175.322 175.900 -0.012 0.000 1.024 794 Y CA -0.212 57.879 58.100 -0.016 0.000 1.321 794 Y CB 0.536 38.983 38.460 -0.022 0.000 1.151 794 Y HN 0.099 nan 8.280 nan 0.000 0.525 795 Q N 4.534 124.226 119.800 -0.180 0.000 2.394 795 Q HA 0.396 4.736 4.340 0.001 0.000 0.259 795 Q C -0.919 175.026 176.000 -0.092 0.000 1.021 795 Q CA -0.588 55.174 55.803 -0.068 0.000 0.805 795 Q CB 1.726 30.420 28.738 -0.073 0.000 1.226 795 Q HN 0.562 nan 8.270 nan 0.000 0.476 796 S N 0.342 116.079 115.700 0.062 0.000 2.541 796 S HA 0.268 4.738 4.470 0.001 0.000 0.271 796 S C 0.578 175.226 174.600 0.079 0.000 1.133 796 S CA -0.458 57.789 58.200 0.077 0.000 0.876 796 S CB 1.483 64.809 63.200 0.210 0.000 1.105 796 S HN 0.602 nan 8.310 nan 0.000 0.470 797 S N 1.517 117.247 115.700 0.050 0.000 2.522 797 S HA -0.020 4.451 4.470 0.001 0.000 0.227 797 S C 1.240 175.867 174.600 0.045 0.000 0.986 797 S CA 1.085 59.309 58.200 0.039 0.000 0.929 797 S CB -0.621 62.593 63.200 0.024 0.000 0.769 797 S HN 0.934 nan 8.310 nan 0.000 0.529 798 T N -1.788 112.803 114.554 0.061 0.000 3.134 798 T HA 0.376 4.727 4.350 0.001 0.000 0.260 798 T C 1.151 175.886 174.700 0.059 0.000 1.027 798 T CA -0.370 61.762 62.100 0.053 0.000 0.913 798 T CB 0.118 69.016 68.868 0.049 0.000 1.046 798 T HN 0.279 nan 8.240 nan 0.000 0.553 799 K N 1.566 122.017 120.400 0.085 0.000 2.044 799 K HA -0.220 4.100 4.320 0.001 0.000 0.224 799 K C 2.387 178.989 176.600 0.004 0.000 1.056 799 K CA 2.310 58.632 56.287 0.059 0.000 0.962 799 K CB -1.029 31.520 32.500 0.082 0.000 0.730 799 K HN 0.482 nan 8.250 nan 0.000 0.453 800 G N 0.230 109.035 108.800 0.009 0.000 2.422 800 G HA2 -0.302 3.659 3.960 0.001 0.000 0.218 800 G HA3 -0.302 3.659 3.960 0.001 0.000 0.218 800 G C 1.347 176.244 174.900 -0.005 0.000 1.146 800 G CA 0.898 45.995 45.100 -0.005 0.000 0.769 800 G HN 0.547 nan 8.290 nan 0.000 0.547 801 Q N -0.386 119.418 119.800 0.006 0.000 2.297 801 Q HA -0.036 4.305 4.340 0.001 0.000 0.204 801 Q C 2.449 178.452 176.000 0.005 0.000 0.962 801 Q CA 0.845 56.652 55.803 0.007 0.000 0.879 801 Q CB -0.072 28.674 28.738 0.014 0.000 0.947 801 Q HN 0.611 nan 8.270 nan 0.000 0.462 802 Q N -0.046 119.756 119.800 0.003 0.000 2.049 802 Q HA -0.124 4.216 4.340 0.001 0.000 0.198 802 Q C 2.109 178.095 176.000 -0.023 0.000 0.971 802 Q CA 1.040 56.841 55.803 -0.003 0.000 0.833 802 Q CB 0.098 28.833 28.738 -0.005 0.000 0.896 802 Q HN 0.400 nan 8.270 nan 0.000 0.434 803 I N 1.779 122.324 120.570 -0.041 0.000 2.118 803 I HA -0.300 3.871 4.170 0.001 0.000 0.241 803 I C 1.769 177.864 176.117 -0.036 0.000 1.070 803 I CA 1.584 62.854 61.300 -0.051 0.000 1.327 803 I CB -1.275 36.691 38.000 -0.056 0.000 1.034 803 I HN 0.241 nan 8.210 nan 0.000 0.405 804 D N 0.395 120.779 120.400 -0.026 0.000 2.116 804 D HA -0.181 4.460 4.640 0.001 0.000 0.193 804 D C 2.345 178.633 176.300 -0.020 0.000 0.998 804 D CA 1.764 55.751 54.000 -0.022 0.000 0.836 804 D CB -0.254 40.538 40.800 -0.013 0.000 0.951 804 D HN 0.225 nan 8.370 nan 0.000 0.449 805 S N -0.402 115.292 115.700 -0.011 0.000 2.399 805 S HA -0.086 4.384 4.470 0.001 0.000 0.231 805 S C 2.099 176.692 174.600 -0.013 0.000 1.022 805 S CA 0.595 58.793 58.200 -0.002 0.000 0.983 805 S CB -0.173 63.036 63.200 0.015 0.000 0.803 805 S HN 0.175 nan 8.310 nan 0.000 0.480 806 L N 0.467 121.677 121.223 -0.021 0.000 2.109 806 L HA 0.038 4.378 4.340 0.001 0.000 0.207 806 L C 2.597 179.429 176.870 -0.062 0.000 1.086 806 L CA 1.097 55.915 54.840 -0.036 0.000 0.760 806 L CB -0.331 41.708 42.059 -0.033 0.000 0.910 806 L HN 0.205 nan 8.230 nan 0.000 0.437 807 K N -0.201 120.167 120.400 -0.054 0.000 2.211 807 K HA -0.148 4.172 4.320 0.001 0.000 0.203 807 K C 1.889 178.452 176.600 -0.062 0.000 1.050 807 K CA 0.914 57.167 56.287 -0.058 0.000 0.945 807 K CB -0.197 32.276 32.500 -0.046 0.000 0.732 807 K HN 0.322 nan 8.250 nan 0.000 0.451 808 N N 0.819 119.486 118.700 -0.055 0.000 2.058 808 N HA -0.151 4.589 4.740 0.001 0.000 0.191 808 N C 1.760 177.213 175.510 -0.095 0.000 1.037 808 N CA 1.263 54.279 53.050 -0.056 0.000 0.848 808 N CB 0.129 38.595 38.487 -0.035 0.000 1.021 808 N HN -0.085 nan 8.380 nan 0.000 0.422 809 V N 1.993 121.824 119.914 -0.138 0.000 2.255 809 V HA -0.257 3.864 4.120 0.001 0.000 0.247 809 V C 2.660 178.601 176.094 -0.256 0.000 1.051 809 V CA 2.027 64.162 62.300 -0.275 0.000 1.018 809 V CB -1.184 30.403 31.823 -0.393 0.000 0.641 809 V HN 0.417 nan 8.190 nan 0.000 0.445 810 A N 0.038 122.747 122.820 -0.184 0.000 1.917 810 A HA -0.329 3.991 4.320 0.001 0.000 0.219 810 A C 2.438 179.959 177.584 -0.105 0.000 1.182 810 A CA 2.512 54.466 52.037 -0.139 0.000 0.633 810 A CB -0.650 18.288 19.000 -0.104 0.000 0.819 810 A HN 0.540 nan 8.150 nan 0.000 0.448 811 R N -0.566 119.881 120.500 -0.088 0.000 2.075 811 R HA -0.140 4.200 4.340 0.001 0.000 0.232 811 R C 2.275 178.547 176.300 -0.047 0.000 1.126 811 R CA 1.703 57.767 56.100 -0.059 0.000 0.963 811 R CB -0.324 29.948 30.300 -0.047 0.000 0.858 811 R HN 0.696 nan 8.270 nan 0.000 0.435 812 Q N -0.499 119.263 119.800 -0.064 0.000 2.224 812 Q HA -0.120 4.220 4.340 0.001 0.000 0.203 812 Q C 2.288 178.274 176.000 -0.024 0.000 0.970 812 Q CA 1.321 57.099 55.803 -0.042 0.000 0.865 812 Q CB 0.056 28.756 28.738 -0.063 0.000 0.922 812 Q HN 0.425 nan 8.270 nan 0.000 0.445 813 C N 0.124 119.377 119.300 -0.078 0.000 2.440 813 C HA -0.055 4.406 4.460 0.001 0.000 0.278 813 C C 2.487 177.517 174.990 0.065 0.000 1.295 813 C CA 0.327 59.324 59.018 -0.035 0.000 1.738 813 C CB -0.505 27.166 27.740 -0.115 0.000 1.987 813 C HN 0.534 nan 8.230 nan 0.000 0.492 814 M N 1.107 120.712 119.600 0.009 0.000 2.117 814 M HA -0.055 4.425 4.480 0.001 0.000 0.262 814 M C 2.144 178.470 176.300 0.043 0.000 1.065 814 M CA 1.539 56.845 55.300 0.011 0.000 1.114 814 M CB -1.307 31.276 32.600 -0.028 0.000 1.361 814 M HN 0.584 nan 8.290 nan 0.000 0.408 815 I N -2.282 118.314 120.570 0.043 0.000 2.252 815 I HA -0.272 3.899 4.170 0.001 0.000 0.245 815 I C 2.522 178.670 176.117 0.051 0.000 1.102 815 I CA 1.407 62.729 61.300 0.037 0.000 1.385 815 I CB -0.980 37.037 38.000 0.029 0.000 1.064 815 I HN 0.152 nan 8.210 nan 0.000 0.414 816 Y N 2.416 122.696 120.300 -0.034 0.000 2.081 816 Y HA -0.303 4.247 4.550 0.001 0.000 0.280 816 Y C 2.658 178.520 175.900 -0.064 0.000 1.163 816 Y CA 2.168 60.244 58.100 -0.041 0.000 1.135 816 Y CB -0.667 37.779 38.460 -0.022 0.000 0.970 816 Y HN 0.273 nan 8.280 nan 0.000 0.498 817 A N 0.257 123.129 122.820 0.087 0.000 1.917 817 A HA -0.200 4.120 4.320 0.001 0.000 0.219 817 A C 2.474 180.035 177.584 -0.038 0.000 1.182 817 A CA 2.071 54.129 52.037 0.036 0.000 0.633 817 A CB -1.809 17.285 19.000 0.156 0.000 0.819 817 A HN 0.653 nan 8.150 nan 0.000 0.448 818 G N -0.886 107.914 108.800 -0.001 0.000 2.408 818 G HA2 -0.160 3.800 3.960 0.001 0.000 0.217 818 G HA3 -0.160 3.800 3.960 0.001 0.000 0.217 818 G C 1.595 176.333 174.900 -0.270 0.000 1.150 818 G CA 1.055 46.102 45.100 -0.088 0.000 0.776 818 G HN 0.502 nan 8.290 nan 0.000 0.542 819 M N 0.443 119.895 119.600 -0.248 0.000 2.374 819 M HA 0.126 4.606 4.480 0.001 0.000 0.264 819 M C 1.951 178.014 176.300 -0.394 0.000 1.067 819 M CA 1.024 56.159 55.300 -0.274 0.000 1.103 819 M CB -0.120 32.347 32.600 -0.223 0.000 1.402 819 M HN 0.454 nan 8.290 nan 0.000 0.444 820 I N -2.147 118.096 120.570 -0.544 0.000 3.877 820 I HA 0.087 4.258 4.170 0.001 0.000 0.332 820 I C 1.772 177.547 176.117 -0.570 0.000 1.525 820 I CA -0.320 60.575 61.300 -0.675 0.000 1.146 820 I CB -0.366 36.944 38.000 -1.149 0.000 1.137 820 I HN 0.228 nan 8.210 nan 0.000 0.424 821 Q N 1.298 120.705 119.800 -0.655 0.000 2.226 821 Q HA -0.160 4.180 4.340 0.001 0.000 0.204 821 Q C 0.751 176.315 176.000 -0.727 0.000 0.975 821 Q CA 1.584 56.830 55.803 -0.928 0.000 0.866 821 Q CB -0.661 27.092 28.738 -1.641 0.000 0.915 821 Q HN 0.745 nan 8.270 nan 0.000 0.440 822 Y N 0.058 120.171 120.300 -0.312 0.000 2.470 822 Y HA 0.303 4.853 4.550 0.001 0.000 0.284 822 Y C 0.799 176.624 175.900 -0.124 0.000 1.188 822 Y CA -0.433 57.551 58.100 -0.194 0.000 1.269 822 Y CB 0.601 38.969 38.460 -0.153 0.000 1.094 822 Y HN -0.013 nan 8.280 nan 0.000 0.518 823 R N 1.403 121.867 120.500 -0.060 0.000 2.696 823 R HA 0.302 4.642 4.340 0.001 0.000 0.355 823 R C -0.444 175.881 176.300 0.042 0.000 1.138 823 R CA -0.102 56.007 56.100 0.014 0.000 1.059 823 R CB 0.304 30.619 30.300 0.025 0.000 1.380 823 R HN 0.294 nan 8.270 nan 0.000 0.578 824 M N -2.169 117.442 119.600 0.018 0.000 2.603 824 M HA 0.575 5.055 4.480 0.001 0.000 0.275 824 M C -2.953 173.382 176.300 0.059 0.000 1.226 824 M CA -2.247 53.087 55.300 0.057 0.000 0.870 824 M CB 2.286 34.922 32.600 0.059 0.000 1.716 824 M HN -0.269 nan 8.290 nan 0.000 0.482 825 P HA 0.149 nan 4.420 nan 0.000 0.269 825 P C -0.250 177.108 177.300 0.096 0.000 1.209 825 P CA -0.095 63.051 63.100 0.076 0.000 0.776 825 P CB 0.794 32.536 31.700 0.069 0.000 0.876 826 R N 2.548 123.107 120.500 0.099 0.000 2.105 826 R HA -0.187 4.154 4.340 0.001 0.000 0.239 826 R C 2.088 178.466 176.300 0.131 0.000 1.135 826 R CA 1.801 57.979 56.100 0.129 0.000 0.967 826 R CB -1.114 29.257 30.300 0.118 0.000 0.861 826 R HN 0.595 nan 8.270 nan 0.000 0.442 827 E N -0.630 119.625 120.200 0.091 0.000 2.097 827 E HA -0.233 4.118 4.350 0.001 0.000 0.196 827 E C 1.392 178.033 176.600 0.067 0.000 1.000 827 E CA 2.143 58.585 56.400 0.070 0.000 0.804 827 E CB -0.098 29.636 29.700 0.056 0.000 0.740 827 E HN 0.551 nan 8.360 nan 0.000 0.454 828 T N -2.143 112.460 114.554 0.081 0.000 2.978 828 T HA -0.138 4.213 4.350 0.001 0.000 0.262 828 T C 1.924 176.667 174.700 0.071 0.000 1.063 828 T CA 0.834 62.974 62.100 0.067 0.000 1.140 828 T CB -0.681 68.228 68.868 0.070 0.000 0.886 828 T HN 0.323 nan 8.240 nan 0.000 0.470 829 Y N 1.667 121.957 120.300 -0.016 0.000 2.333 829 Y HA 0.047 4.597 4.550 0.001 0.000 0.290 829 Y C 2.740 178.619 175.900 -0.034 0.000 1.144 829 Y CA 1.157 59.233 58.100 -0.041 0.000 1.228 829 Y CB -0.430 37.984 38.460 -0.076 0.000 0.985 829 Y HN 0.349 nan 8.280 nan 0.000 0.542 830 S N -1.260 114.439 115.700 -0.002 0.000 2.406 830 S HA -0.137 4.334 4.470 0.001 0.000 0.224 830 S C 2.122 176.661 174.600 -0.102 0.000 1.030 830 S CA 1.435 59.597 58.200 -0.064 0.000 0.958 830 S CB -0.797 62.420 63.200 0.029 0.000 0.811 830 S HN 0.714 nan 8.310 nan 0.000 0.489 831 T N 0.030 114.548 114.554 -0.060 0.000 2.995 831 T HA 0.075 4.425 4.350 0.001 0.000 0.269 831 T C 1.757 176.404 174.700 -0.088 0.000 1.091 831 T CA 1.043 63.111 62.100 -0.052 0.000 1.128 831 T CB -0.397 68.462 68.868 -0.015 0.000 0.891 831 T HN 0.420 nan 8.240 nan 0.000 0.492 832 L N -0.906 120.233 121.223 -0.140 0.000 2.209 832 L HA 0.310 4.651 4.340 0.001 0.000 0.207 832 L C 2.315 179.040 176.870 -0.242 0.000 1.094 832 L CA 0.660 55.397 54.840 -0.171 0.000 0.790 832 L CB -0.275 41.680 42.059 -0.172 0.000 0.932 832 L HN 0.196 nan 8.230 nan 0.000 0.447 833 I N 0.597 120.954 120.570 -0.355 0.000 2.353 833 I HA -0.187 3.983 4.170 0.001 0.000 0.248 833 I C 0.873 176.881 176.117 -0.182 0.000 1.119 833 I CA 1.266 62.366 61.300 -0.334 0.000 1.417 833 I CB -0.273 37.468 38.000 -0.431 0.000 1.078 833 I HN 0.268 nan 8.210 nan 0.000 0.421 834 N N 1.056 119.670 118.700 -0.142 0.000 3.303 834 N HA 0.317 5.058 4.740 0.001 0.000 0.304 834 N C -0.330 175.132 175.510 -0.080 0.000 1.302 834 N CA -0.066 52.929 53.050 -0.092 0.000 1.213 834 N CB 0.386 38.832 38.487 -0.067 0.000 1.481 834 N HN 0.271 nan 8.380 nan 0.000 0.546 835 I N 0.000 120.518 120.570 -0.087 0.000 2.984 835 I HA 0.000 4.170 4.170 0.001 0.000 0.288 835 I CA 0.000 61.252 61.300 -0.080 0.000 1.566 835 I CB 0.000 37.950 38.000 -0.082 0.000 1.214 835 I HN 0.000 nan 8.210 nan 0.000 0.494