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 3ebi_1_A DATA FIRST_RESID 196 DATA SEQUENCE PKIHYRKDYK PSGFIINQVT LNINIHDQET IVRSVLDMDI SKHNVGEDLV DATA SEQUENCE FDGVGLKINE ISINNKKLVE GEEYTYDNEF LTIFSKFVPK SKFAFSSEVI DATA SEQUENCE IHPETNYALT GLYKSKNIIV SQCEATGFRR ITFFIDRPDM MAKYDVTVTA DATA SEQUENCE DKEKYPVLLS NGDKVNEFEI PGGRHGARFN DPPLKPCYLF AVVAGDLKHL DATA SEQUENCE SATYITKYTK KKVELYVFSE EKYVSKLQWA LECLKKSMAF DEDYFGLEYD DATA SEQUENCE LSRLNLVAVS DFNVGAMENK GLNIFNANSL LASKKNSIDF SYARILTVVG DATA SEQUENCE HEYFHQYTGN RVTLRDWFQL TLKEGLTVHR ENLFSEEMTK TVTTRLSHVD DATA SEQUENCE LLRSVQFLED SSPLSHPIRP ESYVSMENFY TTTVYDKGSE VMRMYLTILG DATA SEQUENCE EEYYKKGFDI YIKKNDGNTA TCEDFNYAME QAYKMKKADN SANLNQYLLW DATA SEQUENCE FSQSGTPHVS FKYNYDAEKK QYSIHVNQYT KPDENQKEKK PLFIPISVGL DATA SEQUENCE INPENGKEMI SQTTLELTKE SDTFVFNNIA VKPIPSLFRG FSAPVYIEDQ DATA SEQUENCE LTDEERILLL KYDSDAFVRY NSCTNIYMKQ ILMNYNEFLK AKNEKLESFQ DATA SEQUENCE LTPVNAQFID AIKYLLEDPH ADAGFKSYIV SLPQDRYIIN FVSNLDTDVL DATA SEQUENCE ADTKEYIYKQ IGDKLNDVYY KMFKSLEAKA DDLTYFNDES HVDFDQMNMR DATA SEQUENCE TLRNTLLSLL SKAQYPNILN EIIEHSKSPY PSNWLTSLSV SAYFDKYFEL DATA SEQUENCE YDKTYKLSKD DELLLQEWLK TVSRSDRKDI YEILKKLENE VLKDSKNPND DATA SEQUENCE IRAVYLPFTN NLRRFHDISG KGYKLIAEVI TKTDKFNPMV ATQLCEPFKL DATA SEQUENCE WNKLDTKRQE LMLNEMNTML QEPQISNNLK EYLLRLTNK 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 196 P HA 0.000 nan 4.420 nan 0.000 0.216 196 P C 0.000 177.321 177.300 0.036 0.000 1.155 196 P CA 0.000 63.139 63.100 0.065 0.000 0.800 196 P CB 0.000 31.732 31.700 0.053 0.000 0.726 197 K N 2.584 123.001 120.400 0.029 0.000 2.379 197 K HA 0.414 -3.608 4.320 -13.904 0.000 0.284 197 K C -0.268 176.182 176.600 -0.250 0.000 1.044 197 K CA -0.068 56.155 56.287 -0.108 0.000 0.974 197 K CB 0.205 32.628 32.500 -0.128 0.000 0.962 197 K HN 0.454 nan 8.250 nan 0.000 0.474 198 I N 5.314 125.717 120.570 -0.279 0.000 2.315 198 I HA 0.178 -3.994 4.170 -13.904 0.000 0.291 198 I C -0.252 175.477 176.117 -0.647 0.000 1.006 198 I CA -0.827 60.231 61.300 -0.404 0.000 1.265 198 I CB 0.875 38.665 38.000 -0.350 0.000 1.387 198 I HN 0.630 nan 8.210 nan 0.000 0.475 199 H N 5.459 124.234 119.070 -0.492 0.000 2.517 199 H HA 0.428 -3.358 4.556 -13.904 0.000 0.317 199 H C -1.284 173.838 175.328 -0.342 0.000 1.080 199 H CA -0.192 55.626 56.048 -0.383 0.000 1.301 199 H CB 0.725 30.125 29.762 -0.602 0.000 1.425 199 H HN 0.375 nan 8.280 nan 0.000 0.471 200 Y N 1.180 121.536 120.300 0.094 0.000 2.352 200 Y HA 0.213 -3.580 4.550 -13.905 0.000 0.339 200 Y C 1.658 177.296 175.900 -0.438 0.000 0.992 200 Y CA -0.834 57.201 58.100 -0.108 0.000 1.100 200 Y CB 1.421 39.827 38.460 -0.091 0.000 1.192 200 Y HN 0.612 nan 8.280 nan 0.000 0.458 201 R N 2.580 122.535 120.500 -0.908 0.000 2.096 201 R HA -0.211 -4.213 4.340 -13.904 0.000 0.240 201 R C 1.849 177.928 176.300 -0.368 0.000 1.139 201 R CA 2.378 57.746 56.100 -1.219 0.000 0.952 201 R CB -0.006 29.741 30.300 -0.921 0.000 0.854 201 R HN 0.827 nan 8.270 nan 0.000 0.436 202 K N -0.697 119.597 120.400 -0.177 0.000 2.442 202 K HA -0.110 -4.132 4.320 -13.904 0.000 0.198 202 K C 0.313 176.904 176.600 -0.015 0.000 1.044 202 K CA 1.668 57.914 56.287 -0.068 0.000 0.948 202 K CB 0.141 32.604 32.500 -0.061 0.000 0.762 202 K HN 0.138 nan 8.250 nan 0.000 0.472 203 D N 0.379 120.787 120.400 0.014 0.000 2.339 203 D HA -0.031 -3.733 4.640 -13.904 0.000 0.217 203 D C -0.407 175.928 176.300 0.057 0.000 1.050 203 D CA -0.103 53.921 54.000 0.041 0.000 0.856 203 D CB -0.290 40.561 40.800 0.085 0.000 0.922 203 D HN 0.243 nan 8.370 nan 0.000 0.518 204 Y N 2.255 122.555 120.300 0.000 0.000 2.805 204 Y HA -0.020 -3.808 4.550 -13.898 0.000 0.331 204 Y C 0.035 175.926 175.900 -0.016 0.000 1.241 204 Y CA 0.402 58.516 58.100 0.024 0.000 1.546 204 Y CB 0.190 38.666 38.460 0.027 0.000 1.248 204 Y HN -0.317 nan 8.280 nan 0.000 0.559 205 K N 7.770 127.590 120.400 -0.967 0.000 2.501 205 K HA 0.369 -3.653 4.320 -13.904 0.000 0.252 205 K C -2.717 173.276 176.600 -1.012 0.000 0.934 205 K CA -2.021 53.783 56.287 -0.804 0.000 0.797 205 K CB 1.999 34.271 32.500 -0.381 0.000 1.270 205 K HN 0.405 nan 8.250 nan 0.000 0.431 206 P HA -0.024 nan 4.420 nan 0.000 0.269 206 P C -0.388 176.715 177.300 -0.329 0.000 1.215 206 P CA -0.240 62.559 63.100 -0.502 0.000 0.780 206 P CB 0.722 32.066 31.700 -0.593 0.000 0.898 207 S N 0.832 116.448 115.700 -0.139 0.000 2.579 207 S HA 0.233 -3.639 4.470 -13.904 0.000 0.275 207 S C 1.681 176.238 174.600 -0.071 0.000 1.345 207 S CA 0.077 58.239 58.200 -0.063 0.000 1.031 207 S CB -0.174 63.045 63.200 0.031 0.000 0.892 207 S HN 0.595 nan 8.310 nan 0.000 0.529 208 G N 2.619 111.301 108.800 -0.196 0.000 2.848 208 G HA2 0.214 -4.169 3.960 -13.904 0.000 0.208 208 G HA3 0.214 -4.169 3.960 -13.904 0.000 0.208 208 G C -0.156 174.300 174.900 -0.740 0.000 1.152 208 G CA 0.116 44.950 45.100 -0.445 0.000 0.789 208 G HN 0.519 nan 8.290 nan 0.000 0.531 209 F N -0.521 119.422 119.950 -0.010 0.000 2.611 209 F HA 0.629 -3.187 4.527 -13.904 0.000 0.324 209 F C -0.156 175.631 175.800 -0.023 0.000 1.061 209 F CA -1.517 56.475 58.000 -0.013 0.000 0.954 209 F CB 1.756 40.722 39.000 -0.056 0.000 1.301 209 F HN -0.252 nan 8.300 nan 0.000 0.482 210 I N 2.873 123.547 120.570 0.174 0.000 2.545 210 I HA 0.422 -3.750 4.170 -13.904 0.000 0.292 210 I C -0.691 175.427 176.117 0.002 0.000 1.040 210 I CA -0.645 60.695 61.300 0.066 0.000 1.068 210 I CB 1.891 39.917 38.000 0.044 0.000 1.251 210 I HN 0.461 nan 8.210 nan 0.000 0.424 211 I N 5.515 126.066 120.570 -0.031 0.000 2.354 211 I HA 0.315 -3.858 4.170 -13.904 0.000 0.286 211 I C 0.909 177.016 176.117 -0.017 0.000 1.007 211 I CA -0.082 61.179 61.300 -0.066 0.000 1.167 211 I CB 0.960 38.867 38.000 -0.153 0.000 1.320 211 I HN 0.557 nan 8.210 nan 0.000 0.458 212 N N 3.478 122.156 118.700 -0.037 0.000 2.387 212 N HA -0.019 -3.621 4.740 -13.904 0.000 0.176 212 N C 0.269 175.758 175.510 -0.034 0.000 1.022 212 N CA 0.242 53.279 53.050 -0.022 0.000 0.883 212 N CB 0.310 38.780 38.487 -0.028 0.000 1.019 212 N HN 0.490 nan 8.380 nan 0.000 0.435 213 Q N 0.700 120.464 119.800 -0.061 0.000 2.315 213 Q HA 0.427 -3.575 4.340 -13.904 0.000 0.273 213 Q C -2.005 173.917 176.000 -0.129 0.000 1.053 213 Q CA -0.543 55.205 55.803 -0.091 0.000 0.817 213 Q CB 2.071 30.774 28.738 -0.059 0.000 1.326 213 Q HN -0.160 nan 8.270 nan 0.000 0.423 214 V N 3.241 122.995 119.914 -0.266 0.000 2.417 214 V HA 0.622 -3.600 4.120 -13.904 0.000 0.291 214 V C -0.641 175.353 176.094 -0.167 0.000 1.024 214 V CA -0.553 61.573 62.300 -0.291 0.000 0.861 214 V CB 1.818 33.179 31.823 -0.769 0.000 0.985 214 V HN 0.891 nan 8.190 nan 0.000 0.436 215 T N 6.764 121.274 114.554 -0.073 0.000 2.864 215 T HA 0.603 -3.389 4.350 -13.904 0.000 0.310 215 T C -0.418 174.277 174.700 -0.007 0.000 1.040 215 T CA -0.259 61.828 62.100 -0.021 0.000 0.977 215 T CB 0.575 69.432 68.868 -0.018 0.000 0.976 215 T HN 0.334 nan 8.240 nan 0.000 0.459 216 L N 3.718 124.958 121.223 0.030 0.000 2.325 216 L HA 0.564 -3.438 4.340 -13.904 0.000 0.278 216 L C 0.202 177.100 176.870 0.047 0.000 1.023 216 L CA -0.885 53.969 54.840 0.024 0.000 0.811 216 L CB 1.348 43.427 42.059 0.033 0.000 1.249 216 L HN 0.522 nan 8.230 nan 0.000 0.431 217 N N 4.259 122.970 118.700 0.018 0.000 2.491 217 N HA 0.455 -3.147 4.740 -13.904 0.000 0.274 217 N C -1.114 174.401 175.510 0.009 0.000 1.023 217 N CA -0.337 52.733 53.050 0.032 0.000 0.902 217 N CB 2.292 40.794 38.487 0.026 0.000 1.267 217 N HN 0.415 nan 8.380 nan 0.000 0.503 218 I N 2.252 122.833 120.570 0.018 0.000 2.328 218 I HA 0.229 -3.943 4.170 -13.904 0.000 0.287 218 I C -0.408 175.685 176.117 -0.041 0.000 1.012 218 I CA -0.537 60.752 61.300 -0.017 0.000 1.195 218 I CB 0.584 38.582 38.000 -0.005 0.000 1.350 218 I HN 0.234 nan 8.210 nan 0.000 0.464 219 N N 7.513 126.192 118.700 -0.035 0.000 2.558 219 N HA 0.466 -3.136 4.740 -13.904 0.000 0.242 219 N C -0.795 174.656 175.510 -0.098 0.000 0.979 219 N CA -0.478 52.541 53.050 -0.053 0.000 0.931 219 N CB 1.276 39.806 38.487 0.072 0.000 1.122 219 N HN 0.462 nan 8.380 nan 0.000 0.508 220 I N 2.952 123.382 120.570 -0.233 0.000 2.337 220 I HA 0.153 -4.020 4.170 -13.904 0.000 0.291 220 I C 0.457 176.385 176.117 -0.316 0.000 1.046 220 I CA -0.203 60.959 61.300 -0.230 0.000 1.324 220 I CB 0.111 37.917 38.000 -0.324 0.000 1.409 220 I HN 0.466 nan 8.210 nan 0.000 0.494 221 H N 4.138 123.203 119.070 -0.008 0.000 2.771 221 H HA 0.259 -3.528 4.556 -13.904 0.000 0.344 221 H C 0.124 175.492 175.328 0.067 0.000 1.260 221 H CA -0.808 55.263 56.048 0.038 0.000 1.276 221 H CB 1.376 31.151 29.762 0.022 0.000 1.881 221 H HN 0.485 nan 8.280 nan 0.000 0.615 222 D N 0.228 120.758 120.400 0.217 0.000 2.104 222 D HA -0.129 -3.831 4.640 -13.904 0.000 0.194 222 D C 1.236 177.617 176.300 0.135 0.000 0.994 222 D CA 1.608 55.700 54.000 0.154 0.000 0.830 222 D CB 0.177 41.050 40.800 0.121 0.000 0.959 222 D HN 0.492 nan 8.370 nan 0.000 0.452 223 Q N -0.319 119.561 119.800 0.134 0.000 2.247 223 Q HA 0.129 -3.873 4.340 -13.904 0.000 0.211 223 Q C -0.218 175.894 176.000 0.187 0.000 0.861 223 Q CA -0.016 55.867 55.803 0.133 0.000 0.949 223 Q CB 1.004 29.804 28.738 0.103 0.000 1.115 223 Q HN 0.427 nan 8.270 nan 0.000 0.507 224 E N -1.317 118.961 120.200 0.131 0.000 2.401 224 E HA 0.379 -3.614 4.350 -13.904 0.000 0.280 224 E C -1.323 175.273 176.600 -0.007 0.000 1.039 224 E CA -0.774 55.635 56.400 0.015 0.000 0.814 224 E CB 1.351 31.030 29.700 -0.035 0.000 1.275 224 E HN -0.256 nan 8.360 nan 0.000 0.448 225 T N 1.819 116.296 114.554 -0.128 0.000 2.792 225 T HA 0.485 -3.507 4.350 -13.904 0.000 0.280 225 T C -0.312 174.327 174.700 -0.102 0.000 0.990 225 T CA -0.515 61.540 62.100 -0.076 0.000 0.960 225 T CB 0.447 69.251 68.868 -0.106 0.000 0.939 225 T HN 0.330 nan 8.240 nan 0.000 0.439 226 I N 3.268 123.826 120.570 -0.020 0.000 2.315 226 I HA 0.414 -3.758 4.170 -13.904 0.000 0.291 226 I C -0.430 175.653 176.117 -0.055 0.000 1.006 226 I CA -0.773 60.502 61.300 -0.041 0.000 1.265 226 I CB 1.360 39.365 38.000 0.008 0.000 1.387 226 I HN 0.239 nan 8.210 nan 0.000 0.475 227 V N 7.216 127.074 119.914 -0.094 0.000 2.350 227 V HA 0.428 -3.794 4.120 -13.904 0.000 0.285 227 V C 0.038 176.073 176.094 -0.098 0.000 1.014 227 V CA -0.734 61.502 62.300 -0.106 0.000 0.831 227 V CB 1.204 32.928 31.823 -0.164 0.000 1.000 227 V HN 0.659 nan 8.190 nan 0.000 0.433 228 R N 2.784 123.241 120.500 -0.072 0.000 2.407 228 R HA 0.753 -3.249 4.340 -13.904 0.000 0.303 228 R C -0.348 175.908 176.300 -0.073 0.000 0.981 228 R CA -0.346 55.710 56.100 -0.073 0.000 0.905 228 R CB 1.903 32.171 30.300 -0.053 0.000 1.099 228 R HN 0.619 nan 8.270 nan 0.000 0.459 229 S N 1.841 117.489 115.700 -0.087 0.000 2.575 229 S HA 0.398 -3.474 4.470 -13.904 0.000 0.278 229 S C -1.090 173.461 174.600 -0.082 0.000 1.139 229 S CA -0.668 57.494 58.200 -0.064 0.000 0.954 229 S CB 1.544 64.720 63.200 -0.040 0.000 1.054 229 S HN 0.279 nan 8.310 nan 0.000 0.483 230 V N 6.033 125.914 119.914 -0.055 0.000 2.384 230 V HA 0.504 -3.718 4.120 -13.904 0.000 0.287 230 V C -0.493 175.593 176.094 -0.013 0.000 1.020 230 V CA -0.636 61.630 62.300 -0.057 0.000 0.850 230 V CB 1.398 33.186 31.823 -0.059 0.000 0.987 230 V HN 0.803 nan 8.190 nan 0.000 0.436 231 L N 4.352 125.593 121.223 0.030 0.000 2.280 231 L HA 0.515 -3.487 4.340 -13.904 0.000 0.287 231 L C -0.471 176.366 176.870 -0.056 0.000 1.023 231 L CA -0.559 54.301 54.840 0.033 0.000 0.819 231 L CB 1.325 43.453 42.059 0.115 0.000 1.212 231 L HN 0.540 nan 8.230 nan 0.000 0.420 232 D N 5.637 125.985 120.400 -0.087 0.000 2.339 232 D HA 0.437 -3.265 4.640 -13.904 0.000 0.241 232 D C -0.059 176.122 176.300 -0.199 0.000 1.183 232 D CA 0.317 54.237 54.000 -0.134 0.000 0.859 232 D CB 1.545 42.296 40.800 -0.081 0.000 1.067 232 D HN 0.376 nan 8.370 nan 0.000 0.484 233 M N 1.144 120.509 119.600 -0.391 0.000 2.761 233 M HA 0.382 -3.480 4.480 -13.904 0.000 0.305 233 M C -0.442 175.652 176.300 -0.344 0.000 1.235 233 M CA -0.868 54.149 55.300 -0.473 0.000 0.850 233 M CB 2.508 34.584 32.600 -0.874 0.000 1.744 233 M HN 0.099 nan 8.290 nan 0.000 0.480 234 D N 0.078 120.419 120.400 -0.098 0.000 2.626 234 D HA 0.504 -3.198 4.640 -13.904 0.000 0.278 234 D C -1.681 174.770 176.300 0.252 0.000 1.211 234 D CA -0.419 53.640 54.000 0.098 0.000 0.903 234 D CB 1.984 42.814 40.800 0.051 0.000 1.408 234 D HN 0.278 nan 8.370 nan 0.000 0.454 235 I N 1.738 122.438 120.570 0.217 0.000 2.331 235 I HA 0.215 -3.957 4.170 -13.904 0.000 0.292 235 I C 1.070 177.188 176.117 0.002 0.000 0.998 235 I CA -0.486 60.884 61.300 0.117 0.000 1.267 235 I CB 0.436 38.489 38.000 0.088 0.000 1.386 235 I HN 0.362 nan 8.210 nan 0.000 0.476 236 S N 6.278 121.934 115.700 -0.073 0.000 2.645 236 S HA 0.247 -3.625 4.470 -13.904 0.000 0.266 236 S C 1.139 175.654 174.600 -0.142 0.000 1.258 236 S CA -0.561 57.595 58.200 -0.074 0.000 0.990 236 S CB 1.103 64.294 63.200 -0.014 0.000 0.967 236 S HN 0.718 nan 8.310 nan 0.000 0.556 237 K N -0.016 120.248 120.400 -0.226 0.000 2.362 237 K HA -0.122 -4.144 4.320 -13.904 0.000 0.200 237 K C 0.998 177.390 176.600 -0.347 0.000 1.046 237 K CA 1.611 57.714 56.287 -0.307 0.000 0.952 237 K CB -0.635 31.640 32.500 -0.376 0.000 0.753 237 K HN 0.820 nan 8.250 nan 0.000 0.466 238 H N 0.393 119.401 119.070 -0.103 0.000 2.548 238 H HA 0.118 -3.668 4.556 -13.903 0.000 0.265 238 H C 0.289 175.521 175.328 -0.160 0.000 0.969 238 H CA -0.365 55.613 56.048 -0.117 0.000 1.155 238 H CB 0.057 29.750 29.762 -0.116 0.000 1.394 238 H HN 0.229 nan 8.280 nan 0.000 0.570 239 N N 1.529 120.151 118.700 -0.130 0.000 2.458 239 N HA -0.039 -3.641 4.740 -13.904 0.000 0.258 239 N C 0.569 175.993 175.510 -0.143 0.000 1.219 239 N CA 0.411 53.328 53.050 -0.221 0.000 0.902 239 N CB 1.108 39.415 38.487 -0.300 0.000 1.076 239 N HN 0.197 nan 8.380 nan 0.000 0.455 240 V N 0.217 120.049 119.914 -0.136 0.000 3.078 240 V HA 0.441 -3.781 4.120 -13.904 0.000 0.344 240 V C 0.969 177.019 176.094 -0.074 0.000 1.409 240 V CA 0.123 62.371 62.300 -0.086 0.000 1.146 240 V CB -0.044 31.740 31.823 -0.065 0.000 1.126 240 V HN 0.788 nan 8.190 nan 0.000 0.513 241 G N 1.015 109.763 108.800 -0.087 0.000 2.136 241 G HA2 -0.233 -4.616 3.960 -13.904 0.000 0.242 241 G HA3 -0.233 -4.616 3.960 -13.904 0.000 0.242 241 G C 0.105 174.998 174.900 -0.013 0.000 0.989 241 G CA 0.329 45.400 45.100 -0.048 0.000 0.682 241 G HN 1.036 nan 8.290 nan 0.000 0.522 242 E N 1.021 121.211 120.200 -0.016 0.000 2.409 242 E HA 0.273 -3.719 4.350 -13.904 0.000 0.257 242 E C -0.332 176.349 176.600 0.134 0.000 1.150 242 E CA -0.433 55.991 56.400 0.040 0.000 0.942 242 E CB 0.767 30.478 29.700 0.019 0.000 0.979 242 E HN 0.209 nan 8.360 nan 0.000 0.447 243 D N 0.713 121.190 120.400 0.128 0.000 2.419 243 D HA 0.043 -3.660 4.640 -13.904 0.000 0.236 243 D C -0.157 176.214 176.300 0.118 0.000 1.165 243 D CA -0.180 53.900 54.000 0.133 0.000 0.882 243 D CB 0.356 41.236 40.800 0.132 0.000 1.201 243 D HN 0.269 nan 8.370 nan 0.000 0.443 244 L N 2.574 123.750 121.223 -0.079 0.000 2.283 244 L HA 0.219 -3.784 4.340 -13.904 0.000 0.287 244 L C -0.973 175.598 176.870 -0.499 0.000 1.073 244 L CA -0.303 54.224 54.840 -0.523 0.000 0.822 244 L CB 0.753 42.311 42.059 -0.835 0.000 1.186 244 L HN 0.065 nan 8.230 nan 0.000 0.436 245 V N 6.400 126.037 119.914 -0.461 0.000 2.378 245 V HA 0.418 -3.804 4.120 -13.904 0.000 0.288 245 V C -0.246 175.641 176.094 -0.344 0.000 1.016 245 V CA -0.458 61.677 62.300 -0.275 0.000 0.840 245 V CB 0.854 32.619 31.823 -0.096 0.000 0.994 245 V HN 0.490 nan 8.190 nan 0.000 0.431 246 F N 1.953 121.896 119.950 -0.011 0.000 2.399 246 F HA 0.437 -3.379 4.527 -13.904 0.000 0.334 246 F C 0.886 176.914 175.800 0.379 0.000 1.097 246 F CA -0.783 57.282 58.000 0.108 0.000 1.076 246 F CB 0.845 39.853 39.000 0.013 0.000 1.162 246 F HN 0.449 nan 8.300 nan 0.000 0.495 247 D N 1.728 122.489 120.400 0.601 0.000 2.424 247 D HA 0.414 -3.288 4.640 -13.904 0.000 0.244 247 D C 0.201 176.787 176.300 0.476 0.000 1.134 247 D CA 0.399 54.704 54.000 0.510 0.000 0.881 247 D CB 1.399 42.455 40.800 0.427 0.000 1.191 247 D HN 0.779 nan 8.370 nan 0.000 0.445 248 G N 0.593 109.599 108.800 0.344 0.000 2.152 248 G HA2 0.363 -4.019 3.960 -13.904 0.000 0.290 248 G HA3 0.363 -4.019 3.960 -13.904 0.000 0.290 248 G C -1.092 173.919 174.900 0.184 0.000 1.307 248 G CA -0.489 44.711 45.100 0.167 0.000 1.289 248 G HN 0.309 nan 8.290 nan 0.000 0.612 249 V N 1.916 121.845 119.914 0.024 0.000 2.370 249 V HA 0.712 -3.510 4.120 -13.904 0.000 0.283 249 V C 1.334 177.438 176.094 0.017 0.000 1.023 249 V CA 0.726 63.033 62.300 0.011 0.000 0.857 249 V CB 1.066 32.868 31.823 -0.035 0.000 0.985 249 V HN 1.976 nan 8.190 nan 0.000 0.443 250 G N 4.648 113.490 108.800 0.070 0.000 2.179 250 G HA2 -0.224 -4.606 3.960 -13.904 0.000 0.257 250 G HA3 -0.224 -4.606 3.960 -13.904 0.000 0.257 250 G C -0.051 174.893 174.900 0.073 0.000 1.010 250 G CA 0.166 45.307 45.100 0.067 0.000 0.736 250 G HN 0.596 nan 8.290 nan 0.000 0.513 251 L N -0.052 121.228 121.223 0.094 0.000 2.305 251 L HA 0.412 -3.590 4.340 -13.904 0.000 0.281 251 L C 0.889 177.798 176.870 0.066 0.000 1.085 251 L CA -0.583 54.220 54.840 -0.062 0.000 0.813 251 L CB 1.332 43.132 42.059 -0.433 0.000 1.157 251 L HN 0.125 nan 8.230 nan 0.000 0.436 252 K N 4.631 125.048 120.400 0.028 0.000 2.267 252 K HA 0.391 -3.631 4.320 -13.904 0.000 0.282 252 K C -0.525 176.091 176.600 0.028 0.000 1.078 252 K CA -0.490 55.844 56.287 0.078 0.000 0.903 252 K CB 0.564 33.121 32.500 0.094 0.000 1.111 252 K HN 0.517 nan 8.250 nan 0.000 0.475 253 I N 5.104 125.712 120.570 0.064 0.000 2.452 253 I HA -0.049 -4.221 4.170 -13.904 0.000 0.287 253 I C 0.979 177.123 176.117 0.045 0.000 1.079 253 I CA -0.397 60.933 61.300 0.051 0.000 1.387 253 I CB 0.819 38.862 38.000 0.071 0.000 1.404 253 I HN 0.710 nan 8.210 nan 0.000 0.522 254 N N 5.006 123.711 118.700 0.008 0.000 2.258 254 N HA 0.001 -3.601 4.740 -13.904 0.000 0.183 254 N C -0.085 175.422 175.510 -0.006 0.000 1.029 254 N CA 0.763 53.813 53.050 0.000 0.000 0.857 254 N CB 0.285 38.759 38.487 -0.022 0.000 1.008 254 N HN 0.746 nan 8.380 nan 0.000 0.433 255 E N -0.218 119.957 120.200 -0.042 0.000 2.390 255 E HA 0.437 -3.555 4.350 -13.904 0.000 0.280 255 E C -1.120 175.376 176.600 -0.173 0.000 0.992 255 E CA -0.806 55.550 56.400 -0.074 0.000 0.790 255 E CB 1.761 31.419 29.700 -0.069 0.000 1.248 255 E HN 0.123 nan 8.360 nan 0.000 0.447 256 I N -1.288 119.133 120.570 -0.250 0.000 2.689 256 I HA 0.815 -3.357 4.170 -13.904 0.000 0.299 256 I C -0.984 174.924 176.117 -0.348 0.000 1.059 256 I CA -0.604 60.437 61.300 -0.431 0.000 1.055 256 I CB 2.400 40.057 38.000 -0.572 0.000 1.243 256 I HN 0.477 nan 8.210 nan 0.000 0.425 257 S N 4.989 120.422 115.700 -0.445 0.000 2.595 257 S HA 0.696 -3.176 4.470 -13.904 0.000 0.281 257 S C -0.721 173.771 174.600 -0.180 0.000 1.117 257 S CA -0.636 57.417 58.200 -0.244 0.000 0.873 257 S CB 2.076 65.165 63.200 -0.185 0.000 1.108 257 S HN 0.567 nan 8.310 nan 0.000 0.477 258 I N 2.389 122.955 120.570 -0.007 0.000 2.418 258 I HA 0.348 -3.825 4.170 -13.904 0.000 0.287 258 I C -0.642 175.531 176.117 0.094 0.000 1.008 258 I CA -0.589 60.787 61.300 0.127 0.000 1.104 258 I CB 1.389 39.481 38.000 0.154 0.000 1.264 258 I HN 0.612 nan 8.210 nan 0.000 0.438 259 N N 5.283 124.060 118.700 0.129 0.000 2.714 259 N HA -0.261 -3.864 4.740 -13.904 0.000 0.252 259 N C 0.214 175.744 175.510 0.033 0.000 1.014 259 N CA 1.298 54.401 53.050 0.089 0.000 0.735 259 N CB -1.265 37.287 38.487 0.107 0.000 0.924 259 N HN 0.918 nan 8.380 nan 0.000 0.540 260 N N -2.180 116.519 118.700 -0.002 0.000 2.863 260 N HA -0.271 -3.873 4.740 -13.904 0.000 0.245 260 N C -0.175 175.321 175.510 -0.022 0.000 1.001 260 N CA 1.446 54.481 53.050 -0.025 0.000 0.901 260 N CB -0.393 38.084 38.487 -0.016 0.000 1.124 260 N HN 0.572 nan 8.380 nan 0.000 0.582 261 K N 2.074 122.467 120.400 -0.011 0.000 2.234 261 K HA 0.240 -3.782 4.320 -13.904 0.000 0.277 261 K C -0.256 176.327 176.600 -0.029 0.000 1.038 261 K CA -0.563 55.718 56.287 -0.010 0.000 0.888 261 K CB 0.796 33.302 32.500 0.011 0.000 1.091 261 K HN 0.015 nan 8.250 nan 0.000 0.467 262 K N 4.310 124.689 120.400 -0.034 0.000 2.451 262 K HA 0.013 -4.009 4.320 -13.904 0.000 0.280 262 K C -0.532 176.055 176.600 -0.021 0.000 1.020 262 K CA -0.388 55.874 56.287 -0.041 0.000 1.008 262 K CB 0.390 32.873 32.500 -0.028 0.000 0.917 262 K HN 0.381 nan 8.250 nan 0.000 0.478 263 L N 4.751 125.965 121.223 -0.014 0.000 2.350 263 L HA 0.227 -3.775 4.340 -13.904 0.000 0.275 263 L C -0.433 176.540 176.870 0.172 0.000 1.099 263 L CA -0.373 54.496 54.840 0.049 0.000 0.808 263 L CB 1.451 43.538 42.059 0.046 0.000 1.149 263 L HN 0.410 nan 8.230 nan 0.000 0.442 264 V N -0.041 119.916 119.914 0.072 0.000 2.427 264 V HA 0.498 -3.724 4.120 -13.904 0.000 0.286 264 V C 0.252 176.217 176.094 -0.215 0.000 1.034 264 V CA -0.986 61.312 62.300 -0.004 0.000 0.893 264 V CB 1.341 33.128 31.823 -0.060 0.000 0.982 264 V HN 0.706 nan 8.190 nan 0.000 0.452 265 E N 2.438 122.399 120.200 -0.398 0.000 2.414 265 E HA 0.352 -3.640 4.350 -13.904 0.000 0.263 265 E C 1.265 177.622 176.600 -0.406 0.000 1.000 265 E CA 1.658 57.551 56.400 -0.845 0.000 0.914 265 E CB 1.094 30.509 29.700 -0.476 0.000 0.948 265 E HN 1.340 nan 8.360 nan 0.000 0.444 266 G N 4.832 113.420 108.800 -0.354 0.000 2.812 266 G HA2 -0.395 -4.777 3.960 -13.904 0.000 0.219 266 G HA3 -0.395 -4.777 3.960 -13.904 0.000 0.219 266 G C 1.111 176.066 174.900 0.093 0.000 1.275 266 G CA 0.561 45.622 45.100 -0.065 0.000 0.769 266 G HN 0.600 nan 8.290 nan 0.000 0.527 267 E N 0.721 120.930 120.200 0.015 0.000 2.051 267 E HA 0.030 -3.962 4.350 -13.904 0.000 0.189 267 E C 2.151 178.853 176.600 0.170 0.000 0.979 267 E CA 1.361 57.811 56.400 0.083 0.000 0.803 267 E CB 0.009 29.699 29.700 -0.016 0.000 0.761 267 E HN 0.692 nan 8.360 nan 0.000 0.451 268 E N -1.424 118.714 120.200 -0.102 0.000 2.434 268 E HA 0.070 -3.922 4.350 -13.904 0.000 0.207 268 E C -0.523 175.977 176.600 -0.166 0.000 0.929 268 E CA -0.076 56.114 56.400 -0.351 0.000 1.001 268 E CB 0.828 30.088 29.700 -0.733 0.000 1.016 268 E HN 0.230 nan 8.360 nan 0.000 0.502 269 Y N -0.911 119.197 120.300 -0.320 0.000 2.609 269 Y HA 0.545 -3.247 4.550 -13.903 0.000 0.336 269 Y C -0.995 174.751 175.900 -0.257 0.000 1.129 269 Y CA -1.308 56.495 58.100 -0.495 0.000 1.040 269 Y CB 1.134 39.432 38.460 -0.271 0.000 1.310 269 Y HN -0.175 nan 8.280 nan 0.000 0.460 270 T N -0.029 114.460 114.554 -0.108 0.000 2.893 270 T HA 0.575 -3.417 4.350 -13.904 0.000 0.291 270 T C -1.855 173.044 174.700 0.332 0.000 1.028 270 T CA -0.695 61.453 62.100 0.080 0.000 0.995 270 T CB 1.931 70.886 68.868 0.145 0.000 1.051 270 T HN 0.923 nan 8.240 nan 0.000 0.470 271 Y N 2.124 122.544 120.300 0.199 0.000 2.406 271 Y HA 0.454 -3.338 4.550 -13.904 0.000 0.340 271 Y C -0.543 175.472 175.900 0.192 0.000 0.975 271 Y CA -0.889 57.357 58.100 0.243 0.000 1.056 271 Y CB 1.857 40.507 38.460 0.317 0.000 1.210 271 Y HN 0.872 nan 8.280 nan 0.000 0.448 272 D N 2.534 122.722 120.400 -0.354 0.000 2.538 272 D HA 0.109 -3.593 4.640 -13.904 0.000 0.231 272 D C 0.202 176.204 176.300 -0.497 0.000 1.229 272 D CA -0.118 53.712 54.000 -0.283 0.000 0.828 272 D CB -0.068 40.714 40.800 -0.031 0.000 1.035 272 D HN 0.696 nan 8.370 nan 0.000 0.495 273 N N -0.075 117.902 118.700 -1.206 0.000 2.965 273 N HA -0.252 -3.855 4.740 -13.904 0.000 0.232 273 N C 0.570 175.861 175.510 -0.365 0.000 0.913 273 N CA 1.749 54.354 53.050 -0.741 0.000 0.981 273 N CB -1.002 37.336 38.487 -0.250 0.000 1.077 273 N HN 0.569 nan 8.380 nan 0.000 0.589 274 E N -2.177 117.794 120.200 -0.382 0.000 2.571 274 E HA 0.240 -3.752 4.350 -13.904 0.000 0.204 274 E C -0.839 175.531 176.600 -0.384 0.000 0.851 274 E CA 0.062 56.232 56.400 -0.384 0.000 1.358 274 E CB 0.506 29.875 29.700 -0.552 0.000 1.327 274 E HN 0.117 nan 8.360 nan 0.000 0.665 275 F N 1.243 121.321 119.950 0.213 0.000 2.539 275 F HA 0.384 -3.432 4.527 -13.905 0.000 0.318 275 F C -0.705 175.360 175.800 0.442 0.000 1.135 275 F CA -0.990 57.198 58.000 0.313 0.000 0.915 275 F CB 1.719 40.832 39.000 0.188 0.000 1.176 275 F HN -0.055 nan 8.300 nan 0.000 0.440 276 L N 3.335 124.955 121.223 0.661 0.000 2.257 276 L HA 0.606 -3.396 4.340 -13.904 0.000 0.290 276 L C -0.293 176.686 176.870 0.181 0.000 1.044 276 L CA 0.288 55.358 54.840 0.384 0.000 0.810 276 L CB 0.812 42.791 42.059 -0.134 0.000 1.193 276 L HN 0.595 nan 8.230 nan 0.000 0.425 277 T N 6.845 121.468 114.554 0.114 0.000 2.772 277 T HA 0.550 -3.442 4.350 -13.904 0.000 0.288 277 T C -0.101 174.458 174.700 -0.234 0.000 0.994 277 T CA -0.041 62.032 62.100 -0.044 0.000 0.951 277 T CB 0.359 69.234 68.868 0.011 0.000 0.933 277 T HN 0.389 nan 8.240 nan 0.000 0.447 278 I N 4.005 124.441 120.570 -0.223 0.000 2.321 278 I HA 0.367 -3.806 4.170 -13.904 0.000 0.291 278 I C -0.243 175.814 176.117 -0.100 0.000 0.998 278 I CA -0.763 60.410 61.300 -0.213 0.000 1.227 278 I CB 0.644 38.583 38.000 -0.103 0.000 1.368 278 I HN 0.469 nan 8.210 nan 0.000 0.466 279 F N 4.145 124.242 119.950 0.244 0.000 2.529 279 F HA 0.037 -3.778 4.527 -13.904 0.000 0.365 279 F C 1.886 177.764 175.800 0.131 0.000 1.102 279 F CA 0.182 58.309 58.000 0.211 0.000 1.271 279 F CB 0.301 39.477 39.000 0.295 0.000 1.120 279 F HN 0.527 nan 8.300 nan 0.000 0.579 280 S N 1.936 117.771 115.700 0.225 0.000 2.380 280 S HA -0.277 -4.149 4.470 -13.904 0.000 0.229 280 S C 2.094 176.676 174.600 -0.030 0.000 1.043 280 S CA 2.060 60.309 58.200 0.082 0.000 1.038 280 S CB -0.349 62.882 63.200 0.053 0.000 0.872 280 S HN 0.724 nan 8.310 nan 0.000 0.456 281 K N -0.642 119.653 120.400 -0.174 0.000 2.442 281 K HA -0.059 -4.081 4.320 -13.904 0.000 0.198 281 K C 0.900 177.230 176.600 -0.449 0.000 1.044 281 K CA 1.333 57.395 56.287 -0.374 0.000 0.948 281 K CB -0.415 31.765 32.500 -0.534 0.000 0.762 281 K HN 0.439 nan 8.250 nan 0.000 0.472 282 F N 1.200 121.178 119.950 0.046 0.000 2.695 282 F HA 0.206 -3.609 4.527 -13.904 0.000 0.303 282 F C 0.326 176.084 175.800 -0.071 0.000 1.091 282 F CA -0.681 57.328 58.000 0.014 0.000 1.300 282 F CB 0.484 39.521 39.000 0.062 0.000 1.071 282 F HN -0.267 nan 8.300 nan 0.000 0.578 283 V N 2.771 122.688 119.914 0.006 0.000 2.432 283 V HA 0.259 -3.963 4.120 -13.904 0.000 0.275 283 V C -1.833 174.128 176.094 -0.222 0.000 1.043 283 V CA -1.944 60.242 62.300 -0.190 0.000 0.925 283 V CB 0.726 32.470 31.823 -0.132 0.000 0.985 283 V HN -0.092 nan 8.190 nan 0.000 0.466 284 P HA 0.197 nan 4.420 nan 0.000 0.270 284 P C 0.270 177.511 177.300 -0.098 0.000 1.223 284 P CA -0.212 62.757 63.100 -0.218 0.000 0.785 284 P CB 0.672 32.236 31.700 -0.227 0.000 0.923 285 K N -0.236 120.163 120.400 -0.003 0.000 2.374 285 K HA 0.129 -3.893 4.320 -13.904 0.000 0.196 285 K C 0.760 177.408 176.600 0.081 0.000 1.023 285 K CA 0.205 56.513 56.287 0.034 0.000 1.103 285 K CB 0.269 32.775 32.500 0.009 0.000 0.848 285 K HN 0.561 nan 8.250 nan 0.000 0.528 286 S N -0.149 115.626 115.700 0.125 0.000 2.921 286 S HA 0.371 -3.501 4.470 -13.904 0.000 0.315 286 S C -0.581 174.179 174.600 0.266 0.000 1.087 286 S CA -1.050 57.239 58.200 0.149 0.000 0.877 286 S CB 0.967 64.226 63.200 0.098 0.000 1.340 286 S HN -0.111 nan 8.310 nan 0.000 0.622 287 K N 0.952 121.466 120.400 0.190 0.000 2.484 287 K HA 0.365 -3.658 4.320 -13.904 0.000 0.280 287 K C -0.751 176.003 176.600 0.256 0.000 1.013 287 K CA 0.372 56.760 56.287 0.168 0.000 1.029 287 K CB -0.261 32.281 32.500 0.071 0.000 0.902 287 K HN 0.516 nan 8.250 nan 0.000 0.481 288 F N -0.629 119.362 119.950 0.067 0.000 2.662 288 F HA 0.684 -3.131 4.527 -13.903 0.000 0.312 288 F C -1.374 174.474 175.800 0.080 0.000 1.113 288 F CA -1.505 56.538 58.000 0.072 0.000 0.951 288 F CB 1.106 40.158 39.000 0.087 0.000 1.344 288 F HN 0.353 nan 8.300 nan 0.000 0.462 289 A N 2.183 125.105 122.820 0.169 0.000 2.288 289 A HA 0.687 -3.335 4.320 -13.904 0.000 0.320 289 A C -1.821 175.905 177.584 0.236 0.000 1.217 289 A CA -0.474 51.602 52.037 0.065 0.000 0.840 289 A CB 0.362 19.385 19.000 0.038 0.000 1.179 289 A HN 0.828 nan 8.150 nan 0.000 0.504 290 F N 3.592 123.551 119.950 0.015 0.000 2.427 290 F HA 0.606 -3.209 4.527 -13.903 0.000 0.346 290 F C 0.370 176.133 175.800 -0.061 0.000 1.120 290 F CA -0.144 57.888 58.000 0.052 0.000 1.033 290 F CB 1.594 40.660 39.000 0.110 0.000 1.126 290 F HN 0.568 nan 8.300 nan 0.000 0.462 291 S N 3.543 118.733 115.700 -0.849 0.000 2.568 291 S HA 0.898 -2.974 4.470 -13.904 0.000 0.293 291 S C -0.796 173.261 174.600 -0.905 0.000 1.089 291 S CA -0.378 57.428 58.200 -0.657 0.000 0.945 291 S CB 1.613 64.617 63.200 -0.327 0.000 1.077 291 S HN 0.981 nan 8.310 nan 0.000 0.485 292 S N 0.045 115.441 115.700 -0.506 0.000 2.570 292 S HA 0.674 -3.198 4.470 -13.904 0.000 0.270 292 S C -1.589 172.909 174.600 -0.169 0.000 1.149 292 S CA -0.776 57.219 58.200 -0.341 0.000 0.837 292 S CB 1.811 64.916 63.200 -0.158 0.000 1.124 292 S HN 0.930 nan 8.310 nan 0.000 0.465 293 E N 1.083 121.212 120.200 -0.119 0.000 2.241 293 E HA 0.587 -3.405 4.350 -13.904 0.000 0.263 293 E C -1.073 175.486 176.600 -0.068 0.000 0.882 293 E CA -0.912 55.435 56.400 -0.088 0.000 0.769 293 E CB 1.830 31.482 29.700 -0.080 0.000 1.185 293 E HN 0.812 nan 8.360 nan 0.000 0.415 294 V N 1.739 121.597 119.914 -0.094 0.000 2.960 294 V HA 0.663 -3.559 4.120 -13.904 0.000 0.315 294 V C -0.321 175.695 176.094 -0.129 0.000 1.087 294 V CA -0.901 61.331 62.300 -0.114 0.000 0.982 294 V CB 1.697 33.394 31.823 -0.210 0.000 1.039 294 V HN 0.593 nan 8.190 nan 0.000 0.437 295 I N 4.121 124.616 120.570 -0.125 0.000 2.377 295 I HA 0.626 -3.546 4.170 -13.904 0.000 0.293 295 I C -0.142 175.812 176.117 -0.271 0.000 0.987 295 I CA -0.598 60.587 61.300 -0.192 0.000 1.185 295 I CB 1.604 39.516 38.000 -0.148 0.000 1.341 295 I HN 0.787 nan 8.210 nan 0.000 0.455 296 I N 2.065 122.402 120.570 -0.388 0.000 3.145 296 I HA 0.564 -3.609 4.170 -13.904 0.000 0.313 296 I C -1.214 174.559 176.117 -0.572 0.000 1.122 296 I CA -0.867 60.220 61.300 -0.354 0.000 0.987 296 I CB 2.417 40.303 38.000 -0.190 0.000 1.236 296 I HN 0.496 nan 8.210 nan 0.000 0.453 297 H N 1.375 120.418 119.070 -0.045 0.000 2.488 297 H HA 0.325 -3.461 4.556 -13.904 0.000 0.237 297 H C -2.332 172.965 175.328 -0.052 0.000 1.395 297 H CA -1.260 54.764 56.048 -0.040 0.000 1.491 297 H CB 0.691 30.428 29.762 -0.042 0.000 1.567 297 H HN 0.416 nan 8.280 nan 0.000 0.508 298 P HA -0.218 nan 4.420 nan 0.000 0.218 298 P C 1.780 179.098 177.300 0.030 0.000 1.148 298 P CA 0.999 64.114 63.100 0.026 0.000 0.822 298 P CB 0.514 32.209 31.700 -0.009 0.000 0.784 299 E N -0.197 120.024 120.200 0.035 0.000 2.110 299 E HA -0.151 -4.144 4.350 -13.904 0.000 0.193 299 E C 1.590 178.138 176.600 -0.087 0.000 0.988 299 E CA 1.839 58.261 56.400 0.037 0.000 0.804 299 E CB -1.448 28.297 29.700 0.075 0.000 0.745 299 E HN 0.520 nan 8.360 nan 0.000 0.458 300 T N -2.247 112.176 114.554 -0.217 0.000 3.145 300 T HA 0.207 -3.786 4.350 -13.904 0.000 0.255 300 T C 0.542 174.714 174.700 -0.879 0.000 1.039 300 T CA -0.069 61.646 62.100 -0.640 0.000 0.928 300 T CB -0.314 68.377 68.868 -0.296 0.000 1.029 300 T HN 0.082 nan 8.240 nan 0.000 0.554 301 N N 1.392 119.817 118.700 -0.459 0.000 2.663 301 N HA 0.130 -3.472 4.740 -13.904 0.000 0.250 301 N C -0.384 174.996 175.510 -0.217 0.000 1.129 301 N CA -0.723 52.171 53.050 -0.260 0.000 0.995 301 N CB -0.142 38.324 38.487 -0.035 0.000 1.324 301 N HN 0.330 nan 8.380 nan 0.000 0.512 302 Y N 0.791 121.118 120.300 0.046 0.000 2.511 302 Y HA 0.247 -3.546 4.550 -13.904 0.000 0.279 302 Y C 1.979 177.909 175.900 0.050 0.000 1.157 302 Y CA 0.026 58.159 58.100 0.055 0.000 1.300 302 Y CB -0.281 38.219 38.460 0.068 0.000 1.052 302 Y HN 0.565 nan 8.280 nan 0.000 0.529 303 A N 0.175 123.031 122.820 0.062 0.000 2.167 303 A HA 0.125 -3.898 4.320 -13.904 0.000 0.214 303 A C 1.275 178.709 177.584 -0.250 0.000 1.151 303 A CA 0.356 52.362 52.037 -0.052 0.000 0.735 303 A CB -0.742 18.223 19.000 -0.059 0.000 0.802 303 A HN 0.517 nan 8.150 nan 0.000 0.467 304 L N -0.763 120.171 121.223 -0.482 0.000 3.843 304 L HA -0.182 -4.184 4.340 -13.904 0.000 0.411 304 L C 0.225 176.629 176.870 -0.776 0.000 1.205 304 L CA 0.598 54.729 54.840 -1.182 0.000 0.945 304 L CB -2.835 38.683 42.059 -0.902 0.000 1.929 304 L HN 0.431 nan 8.230 nan 0.000 0.934 305 T N -0.951 113.383 114.554 -0.366 0.000 2.912 305 T HA 0.690 -3.302 4.350 -13.904 0.000 0.299 305 T C 0.478 175.185 174.700 0.012 0.000 1.052 305 T CA 1.016 63.037 62.100 -0.132 0.000 0.996 305 T CB 2.021 70.802 68.868 -0.145 0.000 1.070 305 T HN 1.074 nan 8.240 nan 0.000 0.465 306 G N 2.907 111.759 108.800 0.086 0.000 2.498 306 G HA2 -0.116 -4.498 3.960 -13.904 0.000 0.245 306 G HA3 -0.116 -4.498 3.960 -13.904 0.000 0.245 306 G C -0.937 174.070 174.900 0.179 0.000 1.204 306 G CA -0.062 45.095 45.100 0.095 0.000 0.933 306 G HN 1.096 nan 8.290 nan 0.000 0.574 307 L N 1.762 123.050 121.223 0.108 0.000 2.264 307 L HA 0.806 -3.196 4.340 -13.904 0.000 0.289 307 L C -0.069 176.889 176.870 0.146 0.000 1.044 307 L CA -0.621 54.265 54.840 0.077 0.000 0.807 307 L CB 0.700 42.751 42.059 -0.013 0.000 1.192 307 L HN 1.073 nan 8.230 nan 0.000 0.425 308 Y N 2.177 122.466 120.300 -0.019 0.000 2.655 308 Y HA 0.580 -3.213 4.550 -13.904 0.000 0.336 308 Y C -1.178 174.732 175.900 0.017 0.000 1.154 308 Y CA -1.482 56.612 58.100 -0.009 0.000 1.055 308 Y CB 1.083 39.544 38.460 0.002 0.000 1.295 308 Y HN 0.473 nan 8.280 nan 0.000 0.465 309 K N 1.602 122.096 120.400 0.157 0.000 2.213 309 K HA 0.500 -3.522 4.320 -13.904 0.000 0.270 309 K C -1.053 175.671 176.600 0.206 0.000 1.002 309 K CA -0.510 55.836 56.287 0.098 0.000 0.868 309 K CB 1.335 33.910 32.500 0.125 0.000 1.093 309 K HN 0.764 nan 8.250 nan 0.000 0.454 310 S N 4.508 120.277 115.700 0.115 0.000 2.520 310 S HA 0.200 -3.672 4.470 -13.904 0.000 0.324 310 S C 0.084 174.771 174.600 0.145 0.000 1.069 310 S CA -0.375 57.939 58.200 0.189 0.000 1.121 310 S CB 0.322 63.636 63.200 0.189 0.000 0.971 310 S HN 0.928 nan 8.310 nan 0.000 0.463 311 K N 4.132 124.623 120.400 0.151 0.000 2.554 311 K HA -0.322 -4.345 4.320 -13.904 0.000 0.167 311 K C 0.048 176.714 176.600 0.109 0.000 0.814 311 K CA 2.541 58.901 56.287 0.122 0.000 0.416 311 K CB -1.296 31.274 32.500 0.118 0.000 0.752 311 K HN 0.765 nan 8.250 nan 0.000 0.770 312 N N 0.148 118.906 118.700 0.096 0.000 2.275 312 N HA 0.328 -3.274 4.740 -13.904 0.000 0.236 312 N C -0.968 174.631 175.510 0.149 0.000 1.154 312 N CA -0.150 52.953 53.050 0.087 0.000 0.866 312 N CB 0.535 39.033 38.487 0.018 0.000 1.093 312 N HN 0.152 nan 8.380 nan 0.000 0.515 313 I N 1.397 122.051 120.570 0.140 0.000 2.406 313 I HA 0.323 -3.849 4.170 -13.904 0.000 0.290 313 I C -0.489 175.649 176.117 0.036 0.000 0.999 313 I CA -0.837 60.532 61.300 0.116 0.000 1.124 313 I CB 1.771 39.803 38.000 0.052 0.000 1.289 313 I HN -0.118 nan 8.210 nan 0.000 0.441 314 I N 6.713 127.268 120.570 -0.024 0.000 2.395 314 I HA 0.407 -3.765 4.170 -13.904 0.000 0.289 314 I C -0.068 175.902 176.117 -0.244 0.000 1.023 314 I CA -0.186 61.006 61.300 -0.181 0.000 1.350 314 I CB 1.417 39.226 38.000 -0.318 0.000 1.409 314 I HN 0.263 nan 8.210 nan 0.000 0.507 315 V N 6.060 125.757 119.914 -0.361 0.000 3.048 315 V HA 0.516 -3.706 4.120 -13.904 0.000 0.303 315 V C -0.333 175.515 176.094 -0.411 0.000 1.214 315 V CA -0.397 61.672 62.300 -0.386 0.000 0.984 315 V CB 2.635 34.235 31.823 -0.371 0.000 1.054 315 V HN 0.926 nan 8.190 nan 0.000 0.430 316 S N 4.285 119.870 115.700 -0.190 0.000 2.651 316 S HA 0.848 -3.025 4.470 -13.904 0.000 0.291 316 S C -0.758 173.925 174.600 0.138 0.000 1.141 316 S CA -0.585 57.613 58.200 -0.004 0.000 1.027 316 S CB 1.820 65.046 63.200 0.042 0.000 1.043 316 S HN 1.007 nan 8.310 nan 0.000 0.530 317 Q N 0.541 120.485 119.800 0.241 0.000 2.295 317 Q HA 0.493 -3.509 4.340 -13.904 0.000 0.259 317 Q C -0.832 175.253 176.000 0.143 0.000 0.966 317 Q CA -0.555 55.361 55.803 0.188 0.000 0.763 317 Q CB 0.749 29.559 28.738 0.120 0.000 1.283 317 Q HN 0.783 nan 8.270 nan 0.000 0.445 318 C N 2.358 121.763 119.300 0.176 0.000 2.609 318 C HA 0.269 -3.613 4.460 -13.904 0.000 0.305 318 C C 0.803 175.922 174.990 0.215 0.000 1.319 318 C CA -0.093 59.068 59.018 0.238 0.000 1.793 318 C CB -0.037 27.923 27.740 0.365 0.000 2.260 318 C HN 0.852 nan 8.230 nan 0.000 0.535 319 E N 1.013 121.334 120.200 0.202 0.000 2.376 319 E HA 0.299 -3.693 4.350 -13.904 0.000 0.266 319 E C 0.769 177.250 176.600 -0.199 0.000 1.009 319 E CA 0.213 56.667 56.400 0.090 0.000 0.902 319 E CB 0.854 30.646 29.700 0.153 0.000 0.972 319 E HN 0.442 nan 8.360 nan 0.000 0.439 320 A N 3.177 125.777 122.820 -0.367 0.000 1.943 320 A HA -0.034 -4.057 4.320 -13.904 0.000 0.213 320 A C 1.521 179.066 177.584 -0.064 0.000 1.181 320 A CA 1.167 52.912 52.037 -0.487 0.000 0.653 320 A CB 0.103 18.418 19.000 -1.141 0.000 0.833 320 A HN 0.676 nan 8.150 nan 0.000 0.451 321 T N -4.198 110.323 114.554 -0.055 0.000 3.331 321 T HA 0.410 -3.582 4.350 -13.904 0.000 0.282 321 T C 1.099 175.859 174.700 0.099 0.000 1.010 321 T CA 0.579 62.727 62.100 0.080 0.000 0.928 321 T CB 0.463 69.350 68.868 0.031 0.000 1.154 321 T HN 0.238 nan 8.240 nan 0.000 0.516 322 G N 0.248 109.118 108.800 0.117 0.000 2.683 322 G HA2 0.089 -4.293 3.960 -13.904 0.000 0.213 322 G HA3 0.089 -4.293 3.960 -13.904 0.000 0.213 322 G C 0.833 175.825 174.900 0.153 0.000 1.142 322 G CA -0.233 44.929 45.100 0.104 0.000 0.793 322 G HN 0.473 nan 8.290 nan 0.000 0.534 323 F N 2.742 122.743 119.950 0.086 0.000 2.186 323 F HA -0.020 -3.835 4.527 -13.903 0.000 0.299 323 F C 2.809 178.614 175.800 0.007 0.000 1.090 323 F CA 1.403 59.424 58.000 0.034 0.000 1.307 323 F CB 0.096 39.095 39.000 -0.002 0.000 1.019 323 F HN 0.185 nan 8.300 nan 0.000 0.489 324 R N 0.129 120.711 120.500 0.138 0.000 2.241 324 R HA -0.084 -4.087 4.340 -13.904 0.000 0.224 324 R C 1.715 177.952 176.300 -0.105 0.000 1.101 324 R CA 1.246 57.379 56.100 0.054 0.000 0.995 324 R CB -0.699 29.709 30.300 0.179 0.000 0.870 324 R HN 0.241 nan 8.270 nan 0.000 0.463 325 R N 0.200 120.639 120.500 -0.101 0.000 2.310 325 R HA 0.237 -3.766 4.340 -13.904 0.000 0.202 325 R C 1.453 177.632 176.300 -0.202 0.000 0.933 325 R CA 0.451 56.478 56.100 -0.122 0.000 1.054 325 R CB 0.173 30.440 30.300 -0.056 0.000 0.985 325 R HN 0.319 nan 8.270 nan 0.000 0.489 326 I N -1.755 118.614 120.570 -0.336 0.000 3.300 326 I HA 0.059 -4.113 4.170 -13.904 0.000 0.279 326 I C 0.868 176.685 176.117 -0.500 0.000 1.172 326 I CA 0.495 61.551 61.300 -0.407 0.000 1.431 326 I CB 0.805 38.515 38.000 -0.482 0.000 1.240 326 I HN -0.054 nan 8.210 nan 0.000 0.453 327 T N -1.045 113.129 114.554 -0.634 0.000 2.718 327 T HA 0.394 -3.598 4.350 -13.904 0.000 0.306 327 T C -1.570 172.881 174.700 -0.415 0.000 1.485 327 T CA -0.597 61.175 62.100 -0.546 0.000 0.997 327 T CB 0.664 69.273 68.868 -0.432 0.000 1.504 327 T HN -0.180 nan 8.240 nan 0.000 0.497 328 F N 2.139 122.028 119.950 -0.101 0.000 2.529 328 F HA 0.676 -3.139 4.527 -13.904 0.000 0.365 328 F C 0.088 175.986 175.800 0.163 0.000 1.102 328 F CA 0.163 58.138 58.000 -0.042 0.000 1.271 328 F CB 0.370 39.204 39.000 -0.277 0.000 1.120 328 F HN 0.451 nan 8.300 nan 0.000 0.579 329 F N 2.003 122.171 119.950 0.363 0.000 2.770 329 F HA 0.431 -3.385 4.527 -13.905 0.000 0.313 329 F C -1.134 175.001 175.800 0.559 0.000 1.154 329 F CA -1.368 56.918 58.000 0.476 0.000 0.923 329 F CB 1.071 40.396 39.000 0.541 0.000 1.301 329 F HN 0.182 nan 8.300 nan 0.000 0.449 330 I N 3.092 123.667 120.570 0.007 0.000 2.241 330 I HA 0.139 -4.034 4.170 -13.904 0.000 0.294 330 I C -0.402 175.914 176.117 0.331 0.000 1.145 330 I CA -0.041 61.318 61.300 0.099 0.000 1.261 330 I CB -0.107 37.837 38.000 -0.094 0.000 1.475 330 I HN 0.308 nan 8.210 nan 0.000 0.533 331 D N 8.111 128.819 120.400 0.514 0.000 2.508 331 D HA 0.141 -3.561 4.640 -13.904 0.000 0.224 331 D C -0.105 176.470 176.300 0.459 0.000 1.171 331 D CA -0.106 54.251 54.000 0.594 0.000 1.006 331 D CB 0.142 41.268 40.800 0.543 0.000 1.073 331 D HN 0.512 nan 8.370 nan 0.000 0.513 332 R N 1.617 122.354 120.500 0.396 0.000 2.594 332 R HA 0.352 -3.650 4.340 -13.904 0.000 0.265 332 R C -2.508 173.879 176.300 0.145 0.000 1.070 332 R CA -1.375 54.876 56.100 0.252 0.000 0.909 332 R CB 0.922 31.348 30.300 0.209 0.000 1.243 332 R HN -0.179 nan 8.270 nan 0.000 0.455 333 P HA -0.180 nan 4.420 nan 0.000 0.225 333 P C 0.146 177.445 177.300 -0.001 0.000 1.148 333 P CA 1.233 64.283 63.100 -0.083 0.000 0.779 333 P CB 0.135 31.520 31.700 -0.525 0.000 0.780 334 D N -1.790 118.625 120.400 0.025 0.000 2.349 334 D HA -0.037 -3.740 4.640 -13.904 0.000 0.224 334 D C 0.651 177.011 176.300 0.101 0.000 1.029 334 D CA 0.328 54.369 54.000 0.069 0.000 0.879 334 D CB -0.522 40.355 40.800 0.130 0.000 0.906 334 D HN 0.088 nan 8.370 nan 0.000 0.528 335 M N 1.374 121.055 119.600 0.134 0.000 2.923 335 M HA 0.219 -3.643 4.480 -13.904 0.000 0.311 335 M C -0.210 176.210 176.300 0.200 0.000 1.376 335 M CA 0.131 55.520 55.300 0.149 0.000 1.468 335 M CB 0.256 32.939 32.600 0.138 0.000 1.151 335 M HN -0.058 nan 8.290 nan 0.000 0.517 336 M N 1.923 121.604 119.600 0.135 0.000 2.216 336 M HA 0.667 -3.195 4.480 -13.904 0.000 0.356 336 M C 0.112 176.497 176.300 0.141 0.000 1.205 336 M CA -0.074 55.303 55.300 0.129 0.000 1.122 336 M CB 0.969 33.611 32.600 0.070 0.000 1.571 336 M HN 0.587 nan 8.290 nan 0.000 0.464 337 A N 3.312 126.246 122.820 0.191 0.000 2.587 337 A HA 0.711 -3.311 4.320 -13.904 0.000 0.293 337 A C -1.001 176.684 177.584 0.168 0.000 1.087 337 A CA -1.004 51.112 52.037 0.132 0.000 0.692 337 A CB 1.662 20.713 19.000 0.085 0.000 1.291 337 A HN 0.766 nan 8.150 nan 0.000 0.407 338 K N 0.170 120.606 120.400 0.062 0.000 2.144 338 K HA 0.551 -3.471 4.320 -13.904 0.000 0.270 338 K C -1.660 174.947 176.600 0.010 0.000 1.005 338 K CA 0.101 56.452 56.287 0.106 0.000 0.932 338 K CB 0.810 33.339 32.500 0.048 0.000 1.021 338 K HN 0.561 nan 8.250 nan 0.000 0.462 339 Y N 0.470 120.789 120.300 0.031 0.000 2.361 339 Y HA 0.178 -3.614 4.550 -13.903 0.000 0.337 339 Y C -0.608 175.340 175.900 0.079 0.000 0.965 339 Y CA -0.825 57.306 58.100 0.052 0.000 1.091 339 Y CB 1.959 40.460 38.460 0.069 0.000 1.182 339 Y HN 0.550 nan 8.280 nan 0.000 0.450 340 D N 3.606 124.108 120.400 0.171 0.000 2.469 340 D HA 0.446 -3.256 4.640 -13.904 0.000 0.251 340 D C -1.667 174.739 176.300 0.177 0.000 1.173 340 D CA -0.203 53.887 54.000 0.151 0.000 0.882 340 D CB 1.546 42.391 40.800 0.075 0.000 1.129 340 D HN 0.274 nan 8.370 nan 0.000 0.549 341 V N 3.236 123.300 119.914 0.250 0.000 2.487 341 V HA 0.481 -3.741 4.120 -13.904 0.000 0.298 341 V C 0.208 176.472 176.094 0.283 0.000 1.028 341 V CA -0.600 61.868 62.300 0.281 0.000 0.860 341 V CB 2.014 34.074 31.823 0.394 0.000 0.991 341 V HN 0.510 nan 8.190 nan 0.000 0.427 342 T N 4.301 118.980 114.554 0.208 0.000 2.792 342 T HA 0.624 -3.368 4.350 -13.904 0.000 0.280 342 T C -0.424 174.359 174.700 0.138 0.000 0.990 342 T CA -0.407 61.809 62.100 0.193 0.000 0.960 342 T CB 1.614 70.590 68.868 0.179 0.000 0.939 342 T HN 0.377 nan 8.240 nan 0.000 0.439 343 V N 3.718 123.693 119.914 0.103 0.000 2.459 343 V HA 0.735 -3.487 4.120 -13.904 0.000 0.295 343 V C 0.436 176.453 176.094 -0.128 0.000 1.029 343 V CA -0.920 61.376 62.300 -0.008 0.000 0.874 343 V CB 1.568 33.376 31.823 -0.024 0.000 0.985 343 V HN 1.062 nan 8.190 nan 0.000 0.438 344 T N 1.494 115.961 114.554 -0.144 0.000 2.887 344 T HA 0.951 -3.041 4.350 -13.904 0.000 0.288 344 T C -0.488 174.081 174.700 -0.218 0.000 1.021 344 T CA -0.146 61.825 62.100 -0.215 0.000 1.000 344 T CB 2.136 70.935 68.868 -0.116 0.000 1.034 344 T HN 1.474 nan 8.240 nan 0.000 0.467 345 A N 1.776 124.489 122.820 -0.179 0.000 2.564 345 A HA 0.648 -3.374 4.320 -13.904 0.000 0.291 345 A C -1.223 176.433 177.584 0.119 0.000 1.102 345 A CA -0.944 51.057 52.037 -0.060 0.000 0.660 345 A CB 0.873 19.845 19.000 -0.047 0.000 1.283 345 A HN 0.949 nan 8.150 nan 0.000 0.430 346 D N 0.466 120.975 120.400 0.182 0.000 2.450 346 D HA 0.154 -3.548 4.640 -13.904 0.000 0.247 346 D C 1.067 177.467 176.300 0.167 0.000 1.162 346 D CA 0.495 54.585 54.000 0.150 0.000 0.879 346 D CB 0.784 41.645 40.800 0.103 0.000 1.163 346 D HN 0.504 nan 8.370 nan 0.000 0.472 347 K N 2.782 123.216 120.400 0.056 0.000 2.057 347 K HA -0.225 -4.247 4.320 -13.904 0.000 0.207 347 K C 1.514 178.020 176.600 -0.156 0.000 1.049 347 K CA 1.222 57.383 56.287 -0.209 0.000 0.931 347 K CB 0.082 32.373 32.500 -0.348 0.000 0.714 347 K HN 0.504 nan 8.250 nan 0.000 0.440 348 E N 1.118 121.255 120.200 -0.105 0.000 2.058 348 E HA -0.184 -4.176 4.350 -13.904 0.000 0.194 348 E C 1.601 178.114 176.600 -0.144 0.000 0.997 348 E CA 1.821 58.157 56.400 -0.106 0.000 0.801 348 E CB 0.121 29.771 29.700 -0.082 0.000 0.746 348 E HN 0.206 nan 8.360 nan 0.000 0.450 349 K N -1.312 118.962 120.400 -0.211 0.000 2.116 349 K HA -0.065 -4.087 4.320 -13.904 0.000 0.203 349 K C 0.085 176.338 176.600 -0.579 0.000 1.052 349 K CA 0.886 56.891 56.287 -0.471 0.000 0.952 349 K CB 0.121 32.195 32.500 -0.709 0.000 0.729 349 K HN 0.188 nan 8.250 nan 0.000 0.446 350 Y N 0.247 120.556 120.300 0.015 0.000 2.562 350 Y HA 0.202 -3.590 4.550 -13.903 0.000 0.363 350 Y C -2.038 173.930 175.900 0.113 0.000 0.991 350 Y CA -2.474 55.653 58.100 0.045 0.000 1.121 350 Y CB 0.831 39.312 38.460 0.036 0.000 1.159 350 Y HN 0.030 nan 8.280 nan 0.000 0.651 351 P HA -0.068 nan 4.420 nan 0.000 0.221 351 P C 0.269 177.677 177.300 0.180 0.000 1.150 351 P CA 0.963 64.090 63.100 0.045 0.000 0.800 351 P CB 0.818 32.507 31.700 -0.018 0.000 0.787 352 V N 2.050 122.053 119.914 0.149 0.000 2.350 352 V HA 0.242 -3.980 4.120 -13.904 0.000 0.276 352 V C 0.303 176.413 176.094 0.026 0.000 1.028 352 V CA -0.449 61.901 62.300 0.082 0.000 0.860 352 V CB 1.184 33.022 31.823 0.025 0.000 0.990 352 V HN -0.085 nan 8.190 nan 0.000 0.453 353 L N 6.749 127.985 121.223 0.023 0.000 2.333 353 L HA 0.683 -3.319 4.340 -13.904 0.000 0.280 353 L C -0.778 176.084 176.870 -0.014 0.000 1.004 353 L CA -0.406 54.422 54.840 -0.020 0.000 0.820 353 L CB 1.746 43.795 42.059 -0.016 0.000 1.247 353 L HN 0.419 nan 8.230 nan 0.000 0.416 354 L N 2.313 123.367 121.223 -0.281 0.000 2.408 354 L HA 0.710 -3.293 4.340 -13.904 0.000 0.268 354 L C -0.316 175.991 176.870 -0.939 0.000 0.986 354 L CA -0.203 54.286 54.840 -0.585 0.000 0.820 354 L CB 2.263 44.028 42.059 -0.491 0.000 1.303 354 L HN 0.622 nan 8.230 nan 0.000 0.411 355 S N 0.746 115.501 115.700 -1.575 0.000 2.705 355 S HA 0.515 -3.357 4.470 -13.904 0.000 0.280 355 S C -1.193 172.960 174.600 -0.745 0.000 1.174 355 S CA -0.783 56.763 58.200 -1.091 0.000 0.823 355 S CB 1.532 64.184 63.200 -0.914 0.000 1.162 355 S HN 0.709 nan 8.310 nan 0.000 0.487 356 N N 0.813 119.250 118.700 -0.438 0.000 2.479 356 N HA 0.533 -3.069 4.740 -13.904 0.000 0.257 356 N C 0.537 176.029 175.510 -0.030 0.000 1.232 356 N CA 0.813 53.735 53.050 -0.213 0.000 0.920 356 N CB 0.397 38.765 38.487 -0.199 0.000 1.105 356 N HN 1.061 nan 8.380 nan 0.000 0.444 357 G N 0.648 109.466 108.800 0.029 0.000 2.615 357 G HA2 -0.196 -4.579 3.960 -13.904 0.000 0.218 357 G HA3 -0.196 -4.579 3.960 -13.904 0.000 0.218 357 G C -1.538 173.469 174.900 0.178 0.000 1.339 357 G CA -0.750 44.411 45.100 0.101 0.000 0.884 357 G HN 0.614 nan 8.290 nan 0.000 0.559 358 D N 0.871 121.360 120.400 0.148 0.000 2.304 358 D HA 0.352 -3.350 4.640 -13.904 0.000 0.250 358 D C 0.566 176.918 176.300 0.087 0.000 1.107 358 D CA -0.050 54.018 54.000 0.114 0.000 0.885 358 D CB 1.571 42.404 40.800 0.055 0.000 1.192 358 D HN 0.591 nan 8.370 nan 0.000 0.436 359 K N 1.736 122.125 120.400 -0.018 0.000 2.315 359 K HA 0.118 -3.904 4.320 -13.904 0.000 0.291 359 K C 0.998 177.453 176.600 -0.241 0.000 1.074 359 K CA -0.288 55.750 56.287 -0.415 0.000 0.936 359 K CB 0.331 32.571 32.500 -0.434 0.000 1.049 359 K HN 0.306 nan 8.250 nan 0.000 0.471 360 V N 0.548 120.330 119.914 -0.221 0.000 3.471 360 V HA 0.245 -3.977 4.120 -13.904 0.000 0.258 360 V C 0.108 176.152 176.094 -0.083 0.000 1.192 360 V CA -0.012 62.227 62.300 -0.102 0.000 1.116 360 V CB -0.247 31.546 31.823 -0.050 0.000 0.792 360 V HN 0.648 nan 8.190 nan 0.000 0.459 361 N N -0.065 118.568 118.700 -0.111 0.000 2.331 361 N HA 0.453 -3.149 4.740 -13.904 0.000 0.280 361 N C -1.635 173.873 175.510 -0.004 0.000 1.155 361 N CA -0.419 52.624 53.050 -0.010 0.000 0.822 361 N CB 2.610 41.133 38.487 0.060 0.000 1.619 361 N HN 0.452 nan 8.380 nan 0.000 0.476 362 E N 1.155 121.399 120.200 0.074 0.000 2.272 362 E HA 0.555 -3.437 4.350 -13.904 0.000 0.269 362 E C -1.385 175.326 176.600 0.185 0.000 0.877 362 E CA -0.694 55.719 56.400 0.021 0.000 0.755 362 E CB 1.900 31.584 29.700 -0.025 0.000 1.192 362 E HN 0.468 nan 8.360 nan 0.000 0.422 363 F N -0.848 119.096 119.950 -0.010 0.000 2.641 363 F HA 0.491 -3.324 4.527 -13.904 0.000 0.308 363 F C -0.530 175.302 175.800 0.054 0.000 1.105 363 F CA -1.241 56.766 58.000 0.011 0.000 0.964 363 F CB 0.943 39.938 39.000 -0.009 0.000 1.294 363 F HN 0.055 nan 8.300 nan 0.000 0.442 364 E N 2.864 123.182 120.200 0.197 0.000 2.354 364 E HA 0.490 -3.502 4.350 -13.904 0.000 0.269 364 E C -0.559 176.160 176.600 0.197 0.000 1.036 364 E CA -0.191 56.291 56.400 0.137 0.000 0.876 364 E CB 2.067 31.827 29.700 0.100 0.000 1.009 364 E HN 0.679 nan 8.360 nan 0.000 0.416 365 I N 3.079 123.732 120.570 0.138 0.000 2.509 365 I HA 0.246 -3.926 4.170 -13.904 0.000 0.293 365 I C -2.271 173.904 176.117 0.097 0.000 1.020 365 I CA -2.486 58.902 61.300 0.147 0.000 1.088 365 I CB 2.042 40.124 38.000 0.137 0.000 1.267 365 I HN 0.114 nan 8.210 nan 0.000 0.430 366 P HA 0.094 nan 4.420 nan 0.000 0.266 366 P C 0.592 177.930 177.300 0.063 0.000 1.193 366 P CA 0.563 63.702 63.100 0.065 0.000 0.770 366 P CB 0.475 32.210 31.700 0.058 0.000 0.836 367 G N 1.514 110.345 108.800 0.051 0.000 2.132 367 G HA2 0.014 -4.368 3.960 -13.904 0.000 0.228 367 G HA3 0.014 -4.368 3.960 -13.904 0.000 0.228 367 G C 0.738 175.665 174.900 0.046 0.000 1.000 367 G CA 0.243 45.373 45.100 0.050 0.000 0.693 367 G HN 1.072 nan 8.290 nan 0.000 0.515 368 G N -1.540 107.282 108.800 0.037 0.000 2.136 368 G HA2 -0.220 -4.602 3.960 -13.904 0.000 0.242 368 G HA3 -0.220 -4.602 3.960 -13.904 0.000 0.242 368 G C 0.379 175.300 174.900 0.034 0.000 0.989 368 G CA 1.083 46.197 45.100 0.024 0.000 0.682 368 G HN 0.996 nan 8.290 nan 0.000 0.522 369 R N -0.450 120.084 120.500 0.057 0.000 2.691 369 R HA 0.767 -3.235 4.340 -13.904 0.000 0.259 369 R C 0.364 176.738 176.300 0.123 0.000 1.048 369 R CA -0.198 55.952 56.100 0.083 0.000 1.086 369 R CB 0.998 31.330 30.300 0.052 0.000 1.166 369 R HN 0.762 nan 8.270 nan 0.000 0.526 370 H N -2.479 116.527 119.070 -0.107 0.000 3.017 370 H HA 0.688 -3.098 4.556 -13.903 0.000 0.346 370 H C -1.127 173.964 175.328 -0.394 0.000 1.286 370 H CA -1.304 54.612 56.048 -0.220 0.000 1.120 370 H CB 1.947 31.610 29.762 -0.166 0.000 1.860 370 H HN 0.724 nan 8.280 nan 0.000 0.542 371 G N -0.341 107.848 108.800 -1.019 0.000 2.619 371 G HA2 0.698 -3.684 3.960 -13.904 0.000 0.296 371 G HA3 0.698 -3.684 3.960 -13.904 0.000 0.296 371 G C -1.674 172.579 174.900 -1.078 0.000 1.334 371 G CA -0.637 43.683 45.100 -1.300 0.000 0.934 371 G HN 0.924 nan 8.290 nan 0.000 0.476 372 A N 0.695 123.184 122.820 -0.552 0.000 2.455 372 A HA 0.833 -3.189 4.320 -13.904 0.000 0.300 372 A C -0.522 176.975 177.584 -0.145 0.000 1.040 372 A CA -0.706 51.136 52.037 -0.325 0.000 0.697 372 A CB 1.805 20.628 19.000 -0.296 0.000 1.265 372 A HN 0.775 nan 8.150 nan 0.000 0.407 373 R N 1.470 121.855 120.500 -0.192 0.000 2.460 373 R HA 0.729 -3.273 4.340 -13.904 0.000 0.303 373 R C -1.915 174.157 176.300 -0.380 0.000 0.968 373 R CA -0.385 55.665 56.100 -0.083 0.000 0.889 373 R CB 0.779 31.099 30.300 0.034 0.000 1.123 373 R HN 0.567 nan 8.270 nan 0.000 0.455 374 F N 2.541 122.520 119.950 0.048 0.000 2.507 374 F HA 0.322 -3.493 4.527 -13.903 0.000 0.328 374 F C -0.086 175.750 175.800 0.060 0.000 1.136 374 F CA -0.916 57.106 58.000 0.036 0.000 0.930 374 F CB 1.912 40.921 39.000 0.016 0.000 1.166 374 F HN 0.442 nan 8.300 nan 0.000 0.436 375 N N 1.834 120.644 118.700 0.184 0.000 2.392 375 N HA 0.246 -3.356 4.740 -13.904 0.000 0.283 375 N C -1.704 173.886 175.510 0.134 0.000 1.003 375 N CA -0.411 52.724 53.050 0.143 0.000 0.892 375 N CB 1.188 39.724 38.487 0.081 0.000 1.193 375 N HN 0.477 nan 8.380 nan 0.000 0.487 376 D N 4.203 124.688 120.400 0.142 0.000 2.434 376 D HA 0.406 -3.296 4.640 -13.904 0.000 0.275 376 D C -1.938 174.420 176.300 0.096 0.000 1.172 376 D CA -2.108 51.955 54.000 0.105 0.000 0.916 376 D CB 1.391 42.247 40.800 0.093 0.000 1.041 376 D HN 0.329 nan 8.370 nan 0.000 0.501 377 P HA 0.011 nan 4.420 nan 0.000 0.216 377 P C -2.067 175.256 177.300 0.038 0.000 1.153 377 P CA 0.427 63.556 63.100 0.048 0.000 0.848 377 P CB -0.724 30.994 31.700 0.030 0.000 0.787 378 P HA -0.009 nan 4.420 nan 0.000 0.266 378 P C -0.246 177.066 177.300 0.021 0.000 1.195 378 P CA 0.103 63.203 63.100 -0.001 0.000 0.768 378 P CB 0.092 31.770 31.700 -0.036 0.000 0.838 379 L N 3.507 124.740 121.223 0.017 0.000 2.490 379 L HA 0.163 -3.839 4.340 -13.904 0.000 0.274 379 L C 1.041 177.916 176.870 0.010 0.000 1.201 379 L CA 0.823 55.687 54.840 0.040 0.000 0.869 379 L CB -0.668 41.407 42.059 0.027 0.000 1.123 379 L HN 0.501 nan 8.230 nan 0.000 0.484 380 K N 4.113 124.535 120.400 0.038 0.000 2.532 380 K HA 0.715 -3.307 4.320 -13.904 0.000 0.265 380 K C -3.007 173.573 176.600 -0.033 0.000 0.948 380 K CA -1.801 54.446 56.287 -0.066 0.000 0.842 380 K CB 2.172 34.559 32.500 -0.188 0.000 1.392 380 K HN 0.185 nan 8.250 nan 0.000 0.436 381 P HA 0.000 nan 4.420 nan 0.000 0.274 381 P C 1.004 178.166 177.300 -0.230 0.000 1.231 381 P CA -0.561 62.499 63.100 -0.067 0.000 0.790 381 P CB 0.868 32.546 31.700 -0.037 0.000 0.951 382 C N 0.827 120.029 119.300 -0.163 0.000 2.432 382 C HA -0.112 -3.994 4.460 -13.904 0.000 0.282 382 C C 2.625 177.441 174.990 -0.290 0.000 1.388 382 C CA 0.477 59.164 59.018 -0.552 0.000 1.777 382 C CB -2.559 24.520 27.740 -1.101 0.000 1.882 382 C HN 0.648 nan 8.230 nan 0.000 0.520 383 Y N 0.897 121.183 120.300 -0.023 0.000 2.574 383 Y HA 0.262 -3.531 4.550 -13.905 0.000 0.294 383 Y C 1.807 177.735 175.900 0.047 0.000 1.142 383 Y CA 0.689 58.861 58.100 0.120 0.000 1.314 383 Y CB -0.749 37.912 38.460 0.335 0.000 0.991 383 Y HN 0.268 nan 8.280 nan 0.000 0.555 384 L N -0.214 120.676 121.223 -0.554 0.000 2.607 384 L HA 0.139 -3.863 4.340 -13.904 0.000 0.228 384 L C 0.357 177.030 176.870 -0.329 0.000 1.123 384 L CA -0.405 54.150 54.840 -0.475 0.000 0.890 384 L CB -0.190 41.507 42.059 -0.604 0.000 1.103 384 L HN 0.228 nan 8.230 nan 0.000 0.468 385 F N 1.845 121.521 119.950 -0.457 0.000 2.529 385 F HA 0.442 -3.374 4.527 -13.905 0.000 0.365 385 F C 0.311 176.004 175.800 -0.178 0.000 1.102 385 F CA -0.564 57.192 58.000 -0.407 0.000 1.271 385 F CB 0.463 39.190 39.000 -0.455 0.000 1.120 385 F HN -0.106 nan 8.300 nan 0.000 0.579 386 A N 5.512 127.582 122.820 -1.250 0.000 2.572 386 A HA 0.741 -3.281 4.320 -13.904 0.000 0.295 386 A C -1.827 175.050 177.584 -1.178 0.000 1.072 386 A CA -0.548 50.891 52.037 -0.996 0.000 0.691 386 A CB 1.655 20.373 19.000 -0.471 0.000 1.291 386 A HN 1.148 nan 8.150 nan 0.000 0.404 387 V N 1.309 120.787 119.914 -0.728 0.000 2.888 387 V HA 0.780 -3.442 4.120 -13.904 0.000 0.309 387 V C -1.554 174.330 176.094 -0.351 0.000 1.114 387 V CA -0.397 61.600 62.300 -0.506 0.000 0.940 387 V CB 2.080 33.722 31.823 -0.301 0.000 1.021 387 V HN 1.118 nan 8.190 nan 0.000 0.426 388 V N 4.869 124.577 119.914 -0.342 0.000 2.760 388 V HA 0.957 -3.265 4.120 -13.904 0.000 0.309 388 V C -0.117 175.830 176.094 -0.244 0.000 1.077 388 V CA -0.082 62.051 62.300 -0.278 0.000 0.910 388 V CB 1.630 33.283 31.823 -0.284 0.000 1.008 388 V HN 1.317 nan 8.190 nan 0.000 0.424 389 A N 2.706 125.408 122.820 -0.197 0.000 2.381 389 A HA 1.036 -2.986 4.320 -13.904 0.000 0.299 389 A C -0.095 177.540 177.584 0.084 0.000 1.049 389 A CA 0.122 52.082 52.037 -0.129 0.000 0.715 389 A CB 1.767 20.559 19.000 -0.348 0.000 1.222 389 A HN 1.690 nan 8.150 nan 0.000 0.428 390 G N 0.239 109.158 108.800 0.199 0.000 2.441 390 G HA2 0.447 -3.935 3.960 -13.904 0.000 0.294 390 G HA3 0.447 -3.935 3.960 -13.904 0.000 0.294 390 G C -1.882 173.099 174.900 0.135 0.000 1.393 390 G CA -0.469 44.784 45.100 0.255 0.000 0.796 390 G HN 0.562 nan 8.290 nan 0.000 0.494 391 D N 0.696 121.138 120.400 0.070 0.000 2.522 391 D HA 0.395 -3.307 4.640 -13.904 0.000 0.218 391 D C 0.165 176.517 176.300 0.085 0.000 1.149 391 D CA -0.054 53.974 54.000 0.047 0.000 0.981 391 D CB -0.305 40.488 40.800 -0.011 0.000 1.041 391 D HN 0.304 nan 8.370 nan 0.000 0.518 392 L N 3.210 124.515 121.223 0.136 0.000 2.309 392 L HA 0.419 -3.583 4.340 -13.904 0.000 0.282 392 L C 0.669 177.722 176.870 0.304 0.000 1.036 392 L CA -0.906 54.069 54.840 0.225 0.000 0.806 392 L CB 1.376 43.582 42.059 0.244 0.000 1.220 392 L HN -0.070 nan 8.230 nan 0.000 0.429 393 K N 2.603 123.150 120.400 0.246 0.000 2.166 393 K HA 0.552 -3.471 4.320 -13.904 0.000 0.245 393 K C -0.674 176.008 176.600 0.136 0.000 0.967 393 K CA -0.620 55.756 56.287 0.148 0.000 0.863 393 K CB 1.887 34.401 32.500 0.024 0.000 1.107 393 K HN 0.668 nan 8.250 nan 0.000 0.436 394 H N -0.323 118.717 119.070 -0.051 0.000 2.980 394 H HA 0.534 -3.252 4.556 -13.904 0.000 0.367 394 H C -1.087 174.124 175.328 -0.195 0.000 1.206 394 H CA -0.904 54.980 56.048 -0.273 0.000 1.126 394 H CB 1.079 30.456 29.762 -0.641 0.000 1.838 394 H HN 0.297 nan 8.280 nan 0.000 0.552 395 L N 1.592 122.746 121.223 -0.115 0.000 2.322 395 L HA 0.569 -3.433 4.340 -13.904 0.000 0.269 395 L C 0.105 176.877 176.870 -0.163 0.000 1.012 395 L CA -0.872 53.898 54.840 -0.115 0.000 0.815 395 L CB 2.023 44.013 42.059 -0.115 0.000 1.295 395 L HN 0.890 nan 8.230 nan 0.000 0.438 396 S N 0.446 116.011 115.700 -0.224 0.000 2.579 396 S HA 0.959 -2.914 4.470 -13.904 0.000 0.272 396 S C -0.988 173.433 174.600 -0.299 0.000 1.141 396 S CA -0.506 57.415 58.200 -0.466 0.000 0.843 396 S CB 2.378 64.983 63.200 -0.991 0.000 1.122 396 S HN 0.916 nan 8.310 nan 0.000 0.468 397 A N 0.856 123.505 122.820 -0.286 0.000 2.593 397 A HA 0.897 -3.125 4.320 -13.904 0.000 0.290 397 A C -0.692 176.828 177.584 -0.107 0.000 1.126 397 A CA -0.881 51.065 52.037 -0.152 0.000 0.695 397 A CB 1.334 20.279 19.000 -0.092 0.000 1.290 397 A HN 0.891 nan 8.150 nan 0.000 0.414 398 T N 0.814 115.345 114.554 -0.039 0.000 2.797 398 T HA 0.536 -3.456 4.350 -13.904 0.000 0.279 398 T C -1.411 173.328 174.700 0.064 0.000 0.991 398 T CA 0.102 62.212 62.100 0.016 0.000 0.979 398 T CB 0.696 69.569 68.868 0.008 0.000 0.943 398 T HN 0.474 nan 8.240 nan 0.000 0.444 399 Y N 3.241 123.522 120.300 -0.031 0.000 2.335 399 Y HA 0.621 -3.170 4.550 -13.903 0.000 0.338 399 Y C -0.770 175.137 175.900 0.011 0.000 0.977 399 Y CA -1.178 56.907 58.100 -0.026 0.000 1.114 399 Y CB 0.714 39.141 38.460 -0.055 0.000 1.182 399 Y HN 0.564 nan 8.280 nan 0.000 0.463 400 I N 6.111 126.493 120.570 -0.313 0.000 2.321 400 I HA 0.217 -3.955 4.170 -13.904 0.000 0.291 400 I C 0.328 176.320 176.117 -0.210 0.000 0.998 400 I CA -0.760 60.444 61.300 -0.160 0.000 1.227 400 I CB 1.486 39.398 38.000 -0.147 0.000 1.368 400 I HN 0.674 nan 8.210 nan 0.000 0.466 401 T N 1.857 116.456 114.554 0.075 0.000 2.856 401 T HA 0.094 -3.898 4.350 -13.904 0.000 0.306 401 T C 0.979 175.693 174.700 0.024 0.000 1.062 401 T CA -0.401 61.805 62.100 0.178 0.000 1.083 401 T CB 1.509 70.543 68.868 0.276 0.000 0.984 401 T HN 0.713 nan 8.240 nan 0.000 0.542 402 K N 0.677 121.068 120.400 -0.015 0.000 2.025 402 K HA -0.093 -4.115 4.320 -13.904 0.000 0.207 402 K C 1.336 177.733 176.600 -0.338 0.000 1.049 402 K CA 1.436 57.551 56.287 -0.285 0.000 0.933 402 K CB -0.167 32.006 32.500 -0.546 0.000 0.714 402 K HN 0.796 nan 8.250 nan 0.000 0.438 403 Y N -0.717 119.628 120.300 0.075 0.000 2.422 403 Y HA 0.003 -3.789 4.550 -13.904 0.000 0.291 403 Y C 2.496 178.429 175.900 0.054 0.000 1.144 403 Y CA 1.095 59.230 58.100 0.057 0.000 1.208 403 Y CB -0.303 38.194 38.460 0.062 0.000 1.195 403 Y HN 0.151 nan 8.280 nan 0.000 0.535 404 T N -2.913 111.777 114.554 0.227 0.000 3.100 404 T HA 0.095 -3.897 4.350 -13.904 0.000 0.253 404 T C 0.663 175.424 174.700 0.102 0.000 1.118 404 T CA 0.120 62.309 62.100 0.148 0.000 1.058 404 T CB -0.119 68.834 68.868 0.142 0.000 0.953 404 T HN 0.089 nan 8.240 nan 0.000 0.515 405 K N 0.537 120.989 120.400 0.087 0.000 3.160 405 K HA -0.150 -4.172 4.320 -13.904 0.000 0.280 405 K C 0.038 176.675 176.600 0.062 0.000 1.154 405 K CA 0.560 56.875 56.287 0.048 0.000 0.822 405 K CB -1.758 30.759 32.500 0.028 0.000 1.239 405 K HN 0.673 nan 8.250 nan 0.000 0.489 406 K N 2.036 122.495 120.400 0.099 0.000 2.350 406 K HA 0.095 -3.927 4.320 -13.904 0.000 0.279 406 K C -0.212 176.461 176.600 0.122 0.000 1.027 406 K CA 0.006 56.359 56.287 0.110 0.000 0.969 406 K CB 0.549 33.130 32.500 0.136 0.000 0.954 406 K HN -0.016 nan 8.250 nan 0.000 0.474 407 K N 2.963 123.426 120.400 0.105 0.000 2.276 407 K HA 0.198 -3.824 4.320 -13.904 0.000 0.285 407 K C -0.923 175.772 176.600 0.158 0.000 1.062 407 K CA -0.611 55.742 56.287 0.110 0.000 0.918 407 K CB 1.451 33.996 32.500 0.077 0.000 1.055 407 K HN 0.265 nan 8.250 nan 0.000 0.477 408 V N 3.388 123.421 119.914 0.199 0.000 2.448 408 V HA 0.163 -4.059 4.120 -13.904 0.000 0.295 408 V C -0.151 176.044 176.094 0.167 0.000 1.025 408 V CA -0.926 61.512 62.300 0.230 0.000 0.859 408 V CB 1.517 33.521 31.823 0.302 0.000 0.988 408 V HN 0.711 nan 8.190 nan 0.000 0.431 409 E N 4.777 125.081 120.200 0.174 0.000 2.229 409 E HA 0.478 -3.514 4.350 -13.904 0.000 0.283 409 E C -1.106 175.579 176.600 0.142 0.000 1.030 409 E CA -0.299 56.196 56.400 0.159 0.000 0.836 409 E CB 1.269 31.143 29.700 0.290 0.000 1.068 409 E HN 0.504 nan 8.360 nan 0.000 0.401 410 L N 4.151 125.368 121.223 -0.010 0.000 2.287 410 L HA 0.435 -3.567 4.340 -13.904 0.000 0.287 410 L C -0.877 175.888 176.870 -0.174 0.000 1.022 410 L CA -0.785 54.023 54.840 -0.054 0.000 0.814 410 L CB 0.443 42.425 42.059 -0.128 0.000 1.217 410 L HN 0.516 nan 8.230 nan 0.000 0.420 411 Y N 2.233 122.481 120.300 -0.087 0.000 2.376 411 Y HA 0.539 -3.254 4.550 -13.904 0.000 0.340 411 Y C -0.060 175.712 175.900 -0.214 0.000 0.965 411 Y CA -1.050 56.924 58.100 -0.211 0.000 1.078 411 Y CB 2.425 40.753 38.460 -0.221 0.000 1.193 411 Y HN 0.315 nan 8.280 nan 0.000 0.452 412 V N 0.861 120.645 119.914 -0.216 0.000 2.448 412 V HA 0.658 -3.564 4.120 -13.904 0.000 0.295 412 V C -1.099 174.858 176.094 -0.227 0.000 1.025 412 V CA -1.019 61.193 62.300 -0.147 0.000 0.859 412 V CB 0.981 32.712 31.823 -0.153 0.000 0.988 412 V HN 0.536 nan 8.190 nan 0.000 0.431 413 F N 3.135 123.121 119.950 0.061 0.000 2.522 413 F HA 0.891 -2.924 4.527 -13.904 0.000 0.324 413 F C 0.627 176.458 175.800 0.050 0.000 1.077 413 F CA -0.001 58.053 58.000 0.089 0.000 0.944 413 F CB 2.441 41.489 39.000 0.081 0.000 1.175 413 F HN 0.921 nan 8.300 nan 0.000 0.468 414 S N 0.206 116.061 115.700 0.259 0.000 2.656 414 S HA 0.368 -3.504 4.470 -13.904 0.000 0.273 414 S C -1.004 173.704 174.600 0.180 0.000 1.168 414 S CA -1.196 57.118 58.200 0.191 0.000 0.817 414 S CB 1.376 64.667 63.200 0.152 0.000 1.146 414 S HN 0.678 nan 8.310 nan 0.000 0.475 415 E N 0.464 120.763 120.200 0.165 0.000 2.604 415 E HA -0.102 -4.094 4.350 -13.904 0.000 0.267 415 E C 1.114 177.753 176.600 0.065 0.000 0.970 415 E CA 0.530 57.002 56.400 0.120 0.000 0.956 415 E CB 0.391 30.190 29.700 0.165 0.000 0.939 415 E HN 0.758 nan 8.360 nan 0.000 0.465 416 E N 4.063 124.270 120.200 0.011 0.000 2.065 416 E HA -0.324 -4.316 4.350 -13.904 0.000 0.201 416 E C 1.817 178.358 176.600 -0.099 0.000 1.016 416 E CA 1.955 58.336 56.400 -0.031 0.000 0.818 416 E CB 0.021 29.695 29.700 -0.042 0.000 0.749 416 E HN 0.528 nan 8.360 nan 0.000 0.453 417 K N -0.724 119.545 120.400 -0.217 0.000 2.127 417 K HA -0.207 -4.230 4.320 -13.904 0.000 0.208 417 K C 0.885 177.221 176.600 -0.440 0.000 1.047 417 K CA 1.754 57.782 56.287 -0.433 0.000 0.927 417 K CB -0.119 31.931 32.500 -0.750 0.000 0.716 417 K HN 0.272 nan 8.250 nan 0.000 0.450 418 Y N -1.026 119.277 120.300 0.005 0.000 2.584 418 Y HA 0.105 -3.686 4.550 -13.903 0.000 0.254 418 Y C 1.282 177.178 175.900 -0.006 0.000 1.177 418 Y CA -0.563 57.538 58.100 0.002 0.000 1.216 418 Y CB 0.303 38.768 38.460 0.008 0.000 1.172 418 Y HN -0.146 nan 8.280 nan 0.000 0.529 419 V N 0.398 120.363 119.914 0.085 0.000 2.490 419 V HA -0.242 -4.465 4.120 -13.904 0.000 0.250 419 V C 2.089 178.196 176.094 0.021 0.000 1.061 419 V CA 2.470 64.793 62.300 0.039 0.000 1.064 419 V CB -0.443 31.376 31.823 -0.006 0.000 0.670 419 V HN 0.610 nan 8.190 nan 0.000 0.461 420 S N -0.977 114.740 115.700 0.029 0.000 2.507 420 S HA -0.117 -3.989 4.470 -13.904 0.000 0.235 420 S C 1.625 176.246 174.600 0.034 0.000 0.988 420 S CA 0.989 59.202 58.200 0.021 0.000 0.944 420 S CB -0.427 62.784 63.200 0.019 0.000 0.762 420 S HN 0.719 nan 8.310 nan 0.000 0.526 421 K N 0.384 120.815 120.400 0.052 0.000 2.387 421 K HA 0.369 -3.653 4.320 -13.904 0.000 0.198 421 K C 0.969 177.574 176.600 0.007 0.000 1.022 421 K CA -0.040 56.267 56.287 0.033 0.000 1.128 421 K CB -0.010 32.511 32.500 0.036 0.000 0.853 421 K HN 0.365 nan 8.250 nan 0.000 0.523 422 L N 0.414 121.637 121.223 0.001 0.000 2.509 422 L HA -0.024 -4.026 4.340 -13.904 0.000 0.222 422 L C 2.286 179.138 176.870 -0.031 0.000 1.123 422 L CA 0.295 55.112 54.840 -0.038 0.000 0.856 422 L CB 0.075 42.103 42.059 -0.051 0.000 0.985 422 L HN 0.125 nan 8.230 nan 0.000 0.456 423 Q N 0.309 120.123 119.800 0.023 0.000 2.084 423 Q HA -0.261 -4.263 4.340 -13.904 0.000 0.202 423 Q C 2.025 178.098 176.000 0.121 0.000 0.978 423 Q CA 1.959 57.793 55.803 0.052 0.000 0.844 423 Q CB -0.355 28.427 28.738 0.074 0.000 0.898 423 Q HN 0.566 nan 8.270 nan 0.000 0.426 424 W N 0.259 121.534 121.300 -0.042 0.000 2.355 424 W HA -0.245 -3.927 4.660 -13.903 0.000 0.309 424 W C 1.797 178.277 176.519 -0.065 0.000 1.206 424 W CA 1.514 58.847 57.345 -0.019 0.000 1.284 424 W CB -0.287 29.173 29.460 0.001 0.000 1.145 424 W HN 0.302 nan 8.180 nan 0.000 0.502 425 A N 1.115 123.800 122.820 -0.225 0.000 1.903 425 A HA -0.309 -4.331 4.320 -13.904 0.000 0.219 425 A C 1.920 179.295 177.584 -0.349 0.000 1.191 425 A CA 2.128 53.939 52.037 -0.377 0.000 0.638 425 A CB -1.361 17.439 19.000 -0.333 0.000 0.823 425 A HN 0.381 nan 8.150 nan 0.000 0.451 426 L N -0.019 121.064 121.223 -0.233 0.000 2.012 426 L HA -0.191 -4.193 4.340 -13.904 0.000 0.210 426 L C 2.373 179.121 176.870 -0.205 0.000 1.073 426 L CA 2.425 57.146 54.840 -0.198 0.000 0.748 426 L CB -0.696 41.283 42.059 -0.134 0.000 0.891 426 L HN 0.439 nan 8.230 nan 0.000 0.431 427 E N -0.942 119.143 120.200 -0.192 0.000 2.077 427 E HA -0.228 -4.220 4.350 -13.904 0.000 0.193 427 E C 2.345 178.747 176.600 -0.329 0.000 0.989 427 E CA 1.700 57.987 56.400 -0.189 0.000 0.800 427 E CB -0.904 28.757 29.700 -0.064 0.000 0.746 427 E HN 0.578 nan 8.360 nan 0.000 0.452 428 C N 0.904 119.859 119.300 -0.575 0.000 2.425 428 C HA -0.092 -3.974 4.460 -13.904 0.000 0.277 428 C C 2.724 177.529 174.990 -0.309 0.000 1.280 428 C CA 0.231 58.958 59.018 -0.485 0.000 1.744 428 C CB -1.056 26.301 27.740 -0.637 0.000 1.989 428 C HN 0.339 nan 8.230 nan 0.000 0.491 429 L N 1.723 122.734 121.223 -0.352 0.000 2.012 429 L HA -0.144 -4.146 4.340 -13.904 0.000 0.210 429 L C 2.421 179.008 176.870 -0.472 0.000 1.073 429 L CA 1.901 56.496 54.840 -0.409 0.000 0.748 429 L CB -0.837 41.008 42.059 -0.357 0.000 0.891 429 L HN 0.293 nan 8.230 nan 0.000 0.431 430 K N -0.429 119.783 120.400 -0.314 0.000 2.032 430 K HA -0.218 -4.240 4.320 -13.904 0.000 0.209 430 K C 2.063 178.589 176.600 -0.123 0.000 1.048 430 K CA 1.929 58.091 56.287 -0.210 0.000 0.927 430 K CB -0.259 32.246 32.500 0.008 0.000 0.712 430 K HN 0.341 nan 8.250 nan 0.000 0.441 431 K N 0.598 120.974 120.400 -0.040 0.000 2.074 431 K HA -0.121 -4.143 4.320 -13.904 0.000 0.209 431 K C 2.335 179.030 176.600 0.159 0.000 1.048 431 K CA 1.701 58.078 56.287 0.150 0.000 0.926 431 K CB -0.117 32.525 32.500 0.237 0.000 0.713 431 K HN 0.028 nan 8.250 nan 0.000 0.444 432 S N 1.100 116.650 115.700 -0.251 0.000 2.368 432 S HA -0.098 -3.970 4.470 -13.904 0.000 0.224 432 S C 1.963 176.325 174.600 -0.398 0.000 1.029 432 S CA 1.291 59.081 58.200 -0.683 0.000 0.988 432 S CB -0.127 62.476 63.200 -0.994 0.000 0.838 432 S HN 0.232 nan 8.310 nan 0.000 0.462 433 M N 1.284 120.445 119.600 -0.733 0.000 2.086 433 M HA -0.092 -3.954 4.480 -13.904 0.000 0.261 433 M C 2.558 178.836 176.300 -0.036 0.000 1.067 433 M CA 1.521 56.420 55.300 -0.668 0.000 1.116 433 M CB -0.613 31.227 32.600 -1.265 0.000 1.348 433 M HN 0.396 nan 8.290 nan 0.000 0.407 434 A N 0.076 122.948 122.820 0.087 0.000 1.883 434 A HA -0.210 -4.233 4.320 -13.904 0.000 0.217 434 A C 2.033 179.797 177.584 0.301 0.000 1.186 434 A CA 1.564 53.769 52.037 0.279 0.000 0.624 434 A CB -1.076 18.093 19.000 0.283 0.000 0.822 434 A HN 0.522 nan 8.150 nan 0.000 0.444 435 F N 0.819 120.918 119.950 0.248 0.000 2.134 435 F HA -0.172 -3.990 4.527 -13.909 0.000 0.299 435 F C 1.886 177.885 175.800 0.333 0.000 1.097 435 F CA 2.068 60.258 58.000 0.316 0.000 1.264 435 F CB -0.163 39.127 39.000 0.483 0.000 1.001 435 F HN 0.253 nan 8.300 nan 0.000 0.479 436 D N 0.256 120.946 120.400 0.484 0.000 2.144 436 D HA -0.156 -3.858 4.640 -13.904 0.000 0.199 436 D C 2.110 178.588 176.300 0.296 0.000 0.984 436 D CA 1.283 55.552 54.000 0.448 0.000 0.834 436 D CB -0.122 41.084 40.800 0.676 0.000 0.955 436 D HN 0.479 nan 8.370 nan 0.000 0.465 437 E N -0.062 120.311 120.200 0.289 0.000 2.072 437 E HA -0.139 -4.131 4.350 -13.904 0.000 0.191 437 E C 1.451 178.157 176.600 0.177 0.000 0.985 437 E CA 1.001 57.565 56.400 0.275 0.000 0.801 437 E CB 0.128 29.977 29.700 0.249 0.000 0.750 437 E HN 0.284 nan 8.360 nan 0.000 0.452 438 D N -0.548 119.885 120.400 0.056 0.000 2.162 438 D HA -0.107 -3.809 4.640 -13.904 0.000 0.205 438 D C 1.600 177.794 176.300 -0.176 0.000 0.964 438 D CA 0.859 54.840 54.000 -0.033 0.000 0.847 438 D CB -0.219 40.571 40.800 -0.018 0.000 0.988 438 D HN 0.171 nan 8.370 nan 0.000 0.480 439 Y N -0.708 119.263 120.300 -0.549 0.000 2.231 439 Y HA -0.022 -3.818 4.550 -13.911 0.000 0.294 439 Y C 1.515 176.990 175.900 -0.708 0.000 1.120 439 Y CA 1.183 58.803 58.100 -0.800 0.000 1.141 439 Y CB 0.081 37.653 38.460 -1.480 0.000 1.022 439 Y HN -0.190 nan 8.280 nan 0.000 0.523 440 F N -0.486 119.414 119.950 -0.084 0.000 2.721 440 F HA 0.317 -3.505 4.527 -13.915 0.000 0.301 440 F C 1.705 177.471 175.800 -0.057 0.000 1.096 440 F CA 0.567 58.515 58.000 -0.087 0.000 1.308 440 F CB 0.221 39.119 39.000 -0.171 0.000 1.086 440 F HN 0.081 nan 8.300 nan 0.000 0.587 441 G N 1.699 110.582 108.800 0.138 0.000 2.221 441 G HA2 -0.298 -4.680 3.960 -13.904 0.000 0.265 441 G HA3 -0.298 -4.680 3.960 -13.904 0.000 0.265 441 G C -0.140 174.844 174.900 0.140 0.000 1.041 441 G CA -0.067 45.123 45.100 0.149 0.000 0.807 441 G HN 0.294 nan 8.290 nan 0.000 0.502 442 L N 0.124 121.449 121.223 0.170 0.000 2.305 442 L HA 0.525 -3.477 4.340 -13.904 0.000 0.284 442 L C 0.406 177.475 176.870 0.332 0.000 1.013 442 L CA -0.725 54.149 54.840 0.056 0.000 0.819 442 L CB 1.388 43.206 42.059 -0.401 0.000 1.227 442 L HN 0.206 nan 8.230 nan 0.000 0.417 443 E N 1.639 122.096 120.200 0.428 0.000 2.222 443 E HA 0.244 -3.748 4.350 -13.904 0.000 0.272 443 E C -1.298 175.626 176.600 0.540 0.000 0.982 443 E CA -0.878 55.809 56.400 0.478 0.000 0.842 443 E CB 2.190 32.130 29.700 0.399 0.000 1.144 443 E HN 0.309 nan 8.360 nan 0.000 0.397 444 Y N 2.986 123.509 120.300 0.373 0.000 2.425 444 Y HA -0.040 -3.834 4.550 -13.905 0.000 0.331 444 Y C 0.939 176.947 175.900 0.180 0.000 1.157 444 Y CA 0.155 58.424 58.100 0.281 0.000 1.372 444 Y CB 0.624 39.257 38.460 0.287 0.000 1.253 444 Y HN 0.539 nan 8.280 nan 0.000 0.536 445 D N 3.898 124.029 120.400 -0.447 0.000 2.379 445 D HA 0.050 -3.652 4.640 -13.904 0.000 0.208 445 D C -0.086 176.018 176.300 -0.327 0.000 1.065 445 D CA 0.397 54.223 54.000 -0.290 0.000 0.848 445 D CB 0.193 40.833 40.800 -0.267 0.000 0.949 445 D HN 0.404 nan 8.370 nan 0.000 0.509 446 L N 0.665 121.517 121.223 -0.620 0.000 2.304 446 L HA 0.301 -3.702 4.340 -13.904 0.000 0.268 446 L C 1.444 178.348 176.870 0.056 0.000 1.010 446 L CA -0.683 53.992 54.840 -0.275 0.000 0.813 446 L CB 1.919 43.797 42.059 -0.302 0.000 1.315 446 L HN -0.153 nan 8.230 nan 0.000 0.445 447 S N -0.449 115.324 115.700 0.122 0.000 2.528 447 S HA 0.123 -3.749 4.470 -13.904 0.000 0.219 447 S C 0.526 175.270 174.600 0.241 0.000 0.985 447 S CA -0.088 58.218 58.200 0.176 0.000 0.914 447 S CB 0.103 63.373 63.200 0.117 0.000 0.776 447 S HN 0.659 nan 8.310 nan 0.000 0.526 448 R N -0.424 120.256 120.500 0.300 0.000 2.604 448 R HA 0.598 -3.404 4.340 -13.904 0.000 0.270 448 R C -2.496 173.991 176.300 0.311 0.000 1.052 448 R CA -0.823 55.444 56.100 0.278 0.000 0.902 448 R CB 1.369 31.792 30.300 0.205 0.000 1.233 448 R HN 0.234 nan 8.270 nan 0.000 0.455 449 L N 3.607 124.938 121.223 0.181 0.000 2.376 449 L HA 0.560 -3.442 4.340 -13.904 0.000 0.275 449 L C -1.599 175.352 176.870 0.134 0.000 0.987 449 L CA -0.477 54.417 54.840 0.090 0.000 0.828 449 L CB 1.943 43.872 42.059 -0.217 0.000 1.249 449 L HN 0.639 nan 8.230 nan 0.000 0.409 450 N N 5.425 124.220 118.700 0.158 0.000 2.400 450 N HA 0.515 -3.087 4.740 -13.904 0.000 0.288 450 N C -1.361 174.277 175.510 0.213 0.000 1.024 450 N CA -0.482 52.713 53.050 0.242 0.000 0.894 450 N CB 2.319 40.932 38.487 0.209 0.000 1.173 450 N HN 0.341 nan 8.380 nan 0.000 0.487 451 L N 2.118 123.486 121.223 0.243 0.000 2.313 451 L HA 0.496 -3.506 4.340 -13.904 0.000 0.283 451 L C -0.300 176.724 176.870 0.257 0.000 1.013 451 L CA -0.859 54.114 54.840 0.221 0.000 0.816 451 L CB 1.754 43.792 42.059 -0.035 0.000 1.236 451 L HN 0.212 nan 8.230 nan 0.000 0.419 452 V N 2.299 122.369 119.914 0.261 0.000 2.531 452 V HA 0.804 -3.418 4.120 -13.904 0.000 0.301 452 V C 0.030 176.212 176.094 0.147 0.000 1.034 452 V CA -0.957 61.459 62.300 0.193 0.000 0.865 452 V CB 1.688 33.546 31.823 0.059 0.000 0.995 452 V HN 0.830 nan 8.190 nan 0.000 0.424 453 A N 4.696 127.576 122.820 0.099 0.000 2.274 453 A HA 0.840 -3.183 4.320 -13.904 0.000 0.309 453 A C -0.249 177.371 177.584 0.060 0.000 1.226 453 A CA -0.432 51.640 52.037 0.059 0.000 0.853 453 A CB 1.029 20.044 19.000 0.025 0.000 1.146 453 A HN 1.423 nan 8.150 nan 0.000 0.518 454 V N 0.664 120.600 119.914 0.036 0.000 2.864 454 V HA 0.597 -3.625 4.120 -13.904 0.000 0.314 454 V C 0.693 176.860 176.094 0.122 0.000 1.073 454 V CA -0.167 62.184 62.300 0.084 0.000 0.956 454 V CB 1.471 33.353 31.823 0.098 0.000 1.023 454 V HN 0.715 nan 8.190 nan 0.000 0.435 455 S N 1.346 117.135 115.700 0.149 0.000 2.436 455 S HA 0.053 -3.819 4.470 -13.904 0.000 0.228 455 S C 0.111 174.829 174.600 0.197 0.000 1.014 455 S CA 1.193 59.482 58.200 0.148 0.000 0.950 455 S CB -0.285 63.000 63.200 0.142 0.000 0.784 455 S HN 0.987 nan 8.310 nan 0.000 0.504 456 D N -0.029 120.537 120.400 0.277 0.000 2.453 456 D HA 0.552 -3.150 4.640 -13.904 0.000 0.238 456 D C -1.156 175.420 176.300 0.460 0.000 1.088 456 D CA -0.174 54.018 54.000 0.320 0.000 0.854 456 D CB 0.967 41.960 40.800 0.322 0.000 1.076 456 D HN 0.044 nan 8.370 nan 0.000 0.533 457 F N 1.889 121.923 119.950 0.139 0.000 2.615 457 F HA 0.291 -3.525 4.527 -13.905 0.000 0.312 457 F C 0.425 176.245 175.800 0.034 0.000 1.119 457 F CA -0.828 57.239 58.000 0.111 0.000 0.979 457 F CB 1.848 40.918 39.000 0.118 0.000 1.266 457 F HN 0.052 nan 8.300 nan 0.000 0.444 458 N N 1.706 120.170 118.700 -0.392 0.000 2.270 458 N HA -0.024 -3.626 4.740 -13.904 0.000 0.181 458 N C 0.446 175.866 175.510 -0.151 0.000 1.016 458 N CA 1.639 54.526 53.050 -0.273 0.000 0.870 458 N CB 0.170 38.431 38.487 -0.376 0.000 0.979 458 N HN 0.398 nan 8.380 nan 0.000 0.431 459 V N -4.201 115.650 119.914 -0.105 0.000 3.528 459 V HA 0.747 -3.475 4.120 -13.904 0.000 0.301 459 V C 1.554 177.829 176.094 0.301 0.000 1.332 459 V CA -0.190 62.148 62.300 0.062 0.000 1.004 459 V CB 0.549 32.359 31.823 -0.022 0.000 1.222 459 V HN -0.042 nan 8.190 nan 0.000 0.478 460 G N -0.554 108.367 108.800 0.202 0.000 2.395 460 G HA2 0.544 -3.838 3.960 -13.904 0.000 0.214 460 G HA3 0.544 -3.838 3.960 -13.904 0.000 0.214 460 G C 0.403 175.368 174.900 0.108 0.000 1.177 460 G CA 1.128 46.328 45.100 0.166 0.000 0.794 460 G HN 1.739 nan 8.290 nan 0.000 0.532 461 A N -2.071 120.812 122.820 0.104 0.000 2.438 461 A HA 0.711 -3.312 4.320 -13.904 0.000 0.301 461 A C -1.831 175.769 177.584 0.026 0.000 1.101 461 A CA -0.381 51.504 52.037 -0.253 0.000 0.621 461 A CB 1.075 19.599 19.000 -0.795 0.000 1.350 461 A HN 0.545 nan 8.150 nan 0.000 0.496 462 M N 1.058 120.558 119.600 -0.167 0.000 2.277 462 M HA 0.414 -3.448 4.480 -13.904 0.000 0.282 462 M C -0.371 175.891 176.300 -0.063 0.000 1.074 462 M CA -0.306 55.020 55.300 0.043 0.000 0.954 462 M CB 1.974 34.718 32.600 0.239 0.000 1.672 462 M HN 0.736 nan 8.290 nan 0.000 0.471 463 E N 2.857 123.063 120.200 0.010 0.000 2.330 463 E HA 0.075 -3.917 4.350 -13.904 0.000 0.210 463 E C -0.981 175.592 176.600 -0.045 0.000 1.256 463 E CA -0.101 56.298 56.400 -0.002 0.000 1.346 463 E CB -0.885 28.840 29.700 0.041 0.000 1.308 463 E HN 0.702 nan 8.360 nan 0.000 0.441 464 N N 2.358 121.018 118.700 -0.067 0.000 2.292 464 N HA -0.087 -3.689 4.740 -13.904 0.000 0.258 464 N C 0.072 175.512 175.510 -0.118 0.000 1.261 464 N CA 0.438 53.412 53.050 -0.126 0.000 0.845 464 N CB 0.701 39.093 38.487 -0.159 0.000 1.064 464 N HN 0.258 nan 8.380 nan 0.000 0.471 465 K N 1.223 121.530 120.400 -0.154 0.000 2.430 465 K HA -0.018 -4.040 4.320 -13.904 0.000 0.280 465 K C 1.060 177.625 176.600 -0.058 0.000 1.063 465 K CA 0.726 56.950 56.287 -0.104 0.000 1.071 465 K CB -0.217 32.193 32.500 -0.150 0.000 0.899 465 K HN 0.775 nan 8.250 nan 0.000 0.473 466 G N 3.185 112.013 108.800 0.047 0.000 2.189 466 G HA2 -0.266 -4.649 3.960 -13.904 0.000 0.267 466 G HA3 -0.266 -4.649 3.960 -13.904 0.000 0.267 466 G C -0.099 174.826 174.900 0.041 0.000 0.975 466 G CA 0.448 45.612 45.100 0.108 0.000 0.644 466 G HN 0.547 nan 8.290 nan 0.000 0.537 467 L N 1.323 122.531 121.223 -0.025 0.000 2.511 467 L HA 0.528 -3.475 4.340 -13.904 0.000 0.252 467 L C -0.421 176.423 176.870 -0.045 0.000 1.542 467 L CA -1.406 53.396 54.840 -0.064 0.000 0.822 467 L CB 0.257 42.201 42.059 -0.192 0.000 1.050 467 L HN 0.095 nan 8.230 nan 0.000 0.516 468 N N 2.712 121.436 118.700 0.040 0.000 2.497 468 N HA 0.369 -3.233 4.740 -13.904 0.000 0.268 468 N C -0.514 175.013 175.510 0.028 0.000 1.171 468 N CA 0.359 53.418 53.050 0.015 0.000 0.948 468 N CB 1.136 39.696 38.487 0.122 0.000 1.069 468 N HN 0.425 nan 8.380 nan 0.000 0.460 469 I N 2.315 122.774 120.570 -0.184 0.000 2.404 469 I HA 0.399 -3.773 4.170 -13.904 0.000 0.293 469 I C -0.601 175.152 176.117 -0.607 0.000 0.992 469 I CA -0.616 60.565 61.300 -0.199 0.000 1.149 469 I CB 0.940 38.856 38.000 -0.140 0.000 1.315 469 I HN 0.239 nan 8.210 nan 0.000 0.446 470 F N 3.789 123.438 119.950 -0.501 0.000 2.540 470 F HA 0.332 -3.483 4.527 -13.903 0.000 0.317 470 F C 0.550 176.000 175.800 -0.584 0.000 1.104 470 F CA -0.931 56.765 58.000 -0.507 0.000 0.913 470 F CB 1.366 40.233 39.000 -0.222 0.000 1.170 470 F HN 0.419 nan 8.300 nan 0.000 0.450 471 N N 1.998 120.466 118.700 -0.387 0.000 2.294 471 N HA -0.061 -3.663 4.740 -13.904 0.000 0.263 471 N C 0.929 176.467 175.510 0.047 0.000 1.281 471 N CA 0.575 53.615 53.050 -0.016 0.000 0.846 471 N CB 1.304 39.887 38.487 0.161 0.000 1.061 471 N HN 0.879 nan 8.380 nan 0.000 0.478 472 A N 4.482 127.326 122.820 0.040 0.000 1.948 472 A HA -0.279 -4.301 4.320 -13.904 0.000 0.220 472 A C 1.717 179.291 177.584 -0.017 0.000 1.177 472 A CA 1.970 54.007 52.037 0.001 0.000 0.636 472 A CB -0.626 18.360 19.000 -0.023 0.000 0.815 472 A HN 0.908 nan 8.150 nan 0.000 0.449 473 N N -0.277 118.435 118.700 0.019 0.000 2.519 473 N HA -0.038 -3.640 4.740 -13.904 0.000 0.186 473 N C 0.784 176.319 175.510 0.041 0.000 1.062 473 N CA 1.651 54.716 53.050 0.026 0.000 0.910 473 N CB -0.595 37.930 38.487 0.063 0.000 0.958 473 N HN 0.233 nan 8.380 nan 0.000 0.445 474 S N -0.993 114.747 115.700 0.066 0.000 2.593 474 S HA 0.326 -3.546 4.470 -13.904 0.000 0.236 474 S C 0.692 175.311 174.600 0.031 0.000 0.991 474 S CA -0.491 57.766 58.200 0.094 0.000 0.963 474 S CB 0.204 63.518 63.200 0.190 0.000 0.865 474 S HN 0.271 nan 8.310 nan 0.000 0.488 475 L N -0.060 121.115 121.223 -0.080 0.000 2.966 475 L HA 0.528 -3.475 4.340 -13.904 0.000 0.262 475 L C -0.676 176.085 176.870 -0.182 0.000 1.068 475 L CA 0.644 55.330 54.840 -0.257 0.000 1.004 475 L CB 0.352 42.154 42.059 -0.428 0.000 1.629 475 L HN 0.134 nan 8.230 nan 0.000 0.542 476 L N 0.962 122.108 121.223 -0.129 0.000 2.289 476 L HA 0.759 -3.243 4.340 -13.904 0.000 0.285 476 L C -0.398 176.386 176.870 -0.143 0.000 1.049 476 L CA -0.301 54.470 54.840 -0.116 0.000 0.804 476 L CB 1.378 43.366 42.059 -0.119 0.000 1.195 476 L HN 0.134 nan 8.230 nan 0.000 0.428 477 A N 2.245 124.977 122.820 -0.146 0.000 2.589 477 A HA 0.815 -3.207 4.320 -13.904 0.000 0.296 477 A C -0.880 176.638 177.584 -0.110 0.000 1.062 477 A CA -0.444 51.449 52.037 -0.239 0.000 0.686 477 A CB 2.052 20.651 19.000 -0.668 0.000 1.282 477 A HN 0.626 nan 8.150 nan 0.000 0.404 478 S N 0.382 116.062 115.700 -0.033 0.000 2.579 478 S HA 0.548 -3.324 4.470 -13.904 0.000 0.272 478 S C 0.174 174.820 174.600 0.075 0.000 1.141 478 S CA -0.653 57.572 58.200 0.042 0.000 0.843 478 S CB 1.694 64.905 63.200 0.017 0.000 1.122 478 S HN 0.660 nan 8.310 nan 0.000 0.468 479 K N 0.781 121.127 120.400 -0.089 0.000 2.155 479 K HA -0.001 -4.023 4.320 -13.904 0.000 0.203 479 K C 1.893 178.391 176.600 -0.170 0.000 1.052 479 K CA 0.949 57.076 56.287 -0.267 0.000 0.948 479 K CB -0.159 31.851 32.500 -0.818 0.000 0.728 479 K HN 0.655 nan 8.250 nan 0.000 0.448 480 K N 0.840 121.170 120.400 -0.117 0.000 2.097 480 K HA -0.076 -4.098 4.320 -13.904 0.000 0.205 480 K C 0.825 177.572 176.600 0.246 0.000 1.050 480 K CA 1.195 57.613 56.287 0.218 0.000 0.938 480 K CB 0.237 32.849 32.500 0.186 0.000 0.718 480 K HN 0.034 nan 8.250 nan 0.000 0.442 481 N N 0.009 118.803 118.700 0.157 0.000 2.238 481 N HA 0.114 -3.488 4.740 -13.904 0.000 0.235 481 N C -1.225 174.345 175.510 0.100 0.000 1.209 481 N CA -0.003 53.144 53.050 0.162 0.000 0.879 481 N CB 1.638 40.201 38.487 0.127 0.000 1.136 481 N HN -0.093 nan 8.380 nan 0.000 0.517 482 S N 0.659 116.414 115.700 0.092 0.000 2.536 482 S HA 0.530 -3.342 4.470 -13.904 0.000 0.287 482 S C 0.244 174.886 174.600 0.070 0.000 1.101 482 S CA -0.833 57.399 58.200 0.053 0.000 0.950 482 S CB 1.935 65.137 63.200 0.004 0.000 1.056 482 S HN 0.242 nan 8.310 nan 0.000 0.481 483 I N -0.212 120.374 120.570 0.027 0.000 2.938 483 I HA 0.292 -3.880 4.170 -13.904 0.000 0.285 483 I C 0.681 176.873 176.117 0.125 0.000 1.182 483 I CA -0.321 60.997 61.300 0.030 0.000 1.388 483 I CB 0.444 38.448 38.000 0.008 0.000 1.390 483 I HN 0.425 nan 8.210 nan 0.000 0.600 484 D N 2.669 123.124 120.400 0.091 0.000 2.158 484 D HA -0.236 -3.938 4.640 -13.904 0.000 0.197 484 D C 1.504 177.904 176.300 0.167 0.000 0.995 484 D CA 1.679 55.729 54.000 0.083 0.000 0.846 484 D CB -0.279 40.502 40.800 -0.032 0.000 0.941 484 D HN 0.748 nan 8.370 nan 0.000 0.456 485 F N 1.627 121.604 119.950 0.046 0.000 2.202 485 F HA -0.206 -4.022 4.527 -13.905 0.000 0.301 485 F C 2.304 178.158 175.800 0.089 0.000 1.082 485 F CA 1.084 59.124 58.000 0.067 0.000 1.313 485 F CB -0.134 38.887 39.000 0.035 0.000 1.024 485 F HN -0.182 nan 8.300 nan 0.000 0.495 486 S N -0.540 115.180 115.700 0.033 0.000 2.400 486 S HA -0.238 -4.110 4.470 -13.904 0.000 0.232 486 S C 1.702 176.180 174.600 -0.203 0.000 1.025 486 S CA 1.552 59.677 58.200 -0.126 0.000 0.993 486 S CB -0.651 62.461 63.200 -0.148 0.000 0.808 486 S HN 0.533 nan 8.310 nan 0.000 0.478 487 Y N 1.346 121.587 120.300 -0.097 0.000 2.184 487 Y HA -0.034 -3.826 4.550 -13.904 0.000 0.290 487 Y C 2.660 178.732 175.900 0.287 0.000 1.129 487 Y CA 0.844 58.913 58.100 -0.050 0.000 1.144 487 Y CB -0.707 37.432 38.460 -0.535 0.000 0.995 487 Y HN 0.261 nan 8.280 nan 0.000 0.513 488 A N 0.070 123.059 122.820 0.282 0.000 1.930 488 A HA -0.214 -4.236 4.320 -13.904 0.000 0.217 488 A C 2.149 179.736 177.584 0.004 0.000 1.175 488 A CA 1.851 54.054 52.037 0.277 0.000 0.627 488 A CB -0.609 18.503 19.000 0.186 0.000 0.815 488 A HN 0.350 nan 8.150 nan 0.000 0.443 489 R N 0.359 120.683 120.500 -0.294 0.000 2.083 489 R HA -0.061 -4.063 4.340 -13.904 0.000 0.237 489 R C 1.738 178.018 176.300 -0.032 0.000 1.137 489 R CA 2.027 57.957 56.100 -0.284 0.000 0.951 489 R CB -0.802 29.215 30.300 -0.472 0.000 0.851 489 R HN 0.537 nan 8.270 nan 0.000 0.434 490 I N 0.177 120.760 120.570 0.022 0.000 2.179 490 I HA -0.248 -4.420 4.170 -13.904 0.000 0.242 490 I C 2.147 178.270 176.117 0.010 0.000 1.088 490 I CA 0.966 62.278 61.300 0.020 0.000 1.357 490 I CB -0.392 37.617 38.000 0.015 0.000 1.051 490 I HN 0.202 nan 8.210 nan 0.000 0.409 491 L N 0.799 122.087 121.223 0.108 0.000 1.990 491 L HA -0.275 -4.277 4.340 -13.904 0.000 0.213 491 L C 2.811 179.790 176.870 0.182 0.000 1.072 491 L CA 2.744 57.639 54.840 0.091 0.000 0.755 491 L CB -0.951 41.233 42.059 0.208 0.000 0.889 491 L HN 0.504 nan 8.230 nan 0.000 0.432 492 T N -4.081 110.564 114.554 0.152 0.000 2.746 492 T HA -0.142 -4.134 4.350 -13.904 0.000 0.267 492 T C 1.796 176.629 174.700 0.221 0.000 1.039 492 T CA 1.650 63.867 62.100 0.196 0.000 1.142 492 T CB -1.003 67.947 68.868 0.136 0.000 0.866 492 T HN 0.162 nan 8.240 nan 0.000 0.444 493 V N 1.252 121.274 119.914 0.180 0.000 2.323 493 V HA -0.069 -4.291 4.120 -13.904 0.000 0.244 493 V C 2.997 179.289 176.094 0.330 0.000 1.041 493 V CA 1.262 63.702 62.300 0.233 0.000 1.025 493 V CB -0.618 31.346 31.823 0.235 0.000 0.656 493 V HN 0.392 nan 8.190 nan 0.000 0.451 494 V N 1.159 121.233 119.914 0.266 0.000 2.287 494 V HA -0.230 -4.452 4.120 -13.904 0.000 0.248 494 V C 2.655 178.738 176.094 -0.019 0.000 1.053 494 V CA 2.345 64.743 62.300 0.163 0.000 1.027 494 V CB -1.571 30.182 31.823 -0.116 0.000 0.646 494 V HN 0.605 nan 8.190 nan 0.000 0.447 495 G N -0.973 107.779 108.800 -0.081 0.000 2.514 495 G HA2 -0.382 -4.764 3.960 -13.904 0.000 0.217 495 G HA3 -0.382 -4.764 3.960 -13.904 0.000 0.217 495 G C 1.418 176.033 174.900 -0.475 0.000 1.198 495 G CA 1.483 46.292 45.100 -0.486 0.000 0.780 495 G HN 0.657 nan 8.290 nan 0.000 0.565 496 H N 0.623 119.670 119.070 -0.040 0.000 2.289 496 H HA -0.102 -3.888 4.556 -13.903 0.000 0.294 496 H C 2.601 177.919 175.328 -0.016 0.000 1.095 496 H CA 2.210 58.293 56.048 0.057 0.000 1.256 496 H CB 0.163 30.002 29.762 0.128 0.000 1.359 496 H HN 0.265 nan 8.280 nan 0.000 0.487 497 E N -0.236 120.088 120.200 0.206 0.000 2.077 497 E HA -0.205 -4.197 4.350 -13.904 0.000 0.193 497 E C 2.120 178.762 176.600 0.070 0.000 0.989 497 E CA 1.109 57.620 56.400 0.186 0.000 0.800 497 E CB -0.848 28.906 29.700 0.091 0.000 0.746 497 E HN 0.624 nan 8.360 nan 0.000 0.452 498 Y N 0.794 120.980 120.300 -0.190 0.000 2.165 498 Y HA -0.241 -4.032 4.550 -13.902 0.000 0.286 498 Y C 1.959 177.752 175.900 -0.177 0.000 1.155 498 Y CA 1.435 59.363 58.100 -0.287 0.000 1.164 498 Y CB -0.395 37.741 38.460 -0.540 0.000 0.978 498 Y HN -0.090 nan 8.280 nan 0.000 0.513 499 F N -0.972 118.883 119.950 -0.158 0.000 2.365 499 F HA -0.156 -3.968 4.527 -13.897 0.000 0.300 499 F C 2.443 178.148 175.800 -0.158 0.000 1.090 499 F CA 1.179 59.051 58.000 -0.213 0.000 1.408 499 F CB -1.149 37.740 39.000 -0.186 0.000 1.060 499 F HN 0.196 nan 8.300 nan 0.000 0.534 500 H N 0.020 119.083 119.070 -0.011 0.000 2.489 500 H HA -0.164 -3.950 4.556 -13.904 0.000 0.295 500 H C 2.173 177.491 175.328 -0.016 0.000 1.082 500 H CA 1.440 57.488 56.048 0.000 0.000 1.295 500 H CB -0.231 29.542 29.762 0.019 0.000 1.380 500 H HN 0.251 nan 8.280 nan 0.000 0.548 501 Q N 0.055 119.867 119.800 0.020 0.000 2.112 501 Q HA -0.185 -4.187 4.340 -13.904 0.000 0.206 501 Q C 1.691 177.613 176.000 -0.129 0.000 0.987 501 Q CA 1.726 57.478 55.803 -0.084 0.000 0.858 501 Q CB -0.384 28.252 28.738 -0.170 0.000 0.905 501 Q HN 0.485 nan 8.270 nan 0.000 0.420 502 Y N -0.365 119.922 120.300 -0.022 0.000 2.201 502 Y HA 0.040 -3.752 4.550 -13.904 0.000 0.292 502 Y C 1.094 177.029 175.900 0.058 0.000 1.119 502 Y CA 1.420 59.531 58.100 0.018 0.000 1.127 502 Y CB -0.007 38.486 38.460 0.056 0.000 1.019 502 Y HN 0.135 nan 8.280 nan 0.000 0.514 503 T N -1.177 113.542 114.554 0.276 0.000 3.579 503 T HA 0.583 -3.410 4.350 -13.904 0.000 0.328 503 T C 0.820 175.699 174.700 0.300 0.000 1.481 503 T CA 0.139 62.392 62.100 0.255 0.000 1.144 503 T CB 0.070 69.069 68.868 0.219 0.000 1.205 503 T HN 0.535 nan 8.240 nan 0.000 0.812 504 G N 3.358 112.294 108.800 0.227 0.000 3.898 504 G HA2 -0.201 -4.583 3.960 -13.904 0.000 0.196 504 G HA3 -0.201 -4.583 3.960 -13.904 0.000 0.196 504 G C 0.878 175.833 174.900 0.092 0.000 1.322 504 G CA -0.161 45.064 45.100 0.208 0.000 0.942 504 G HN 0.484 nan 8.290 nan 0.000 0.400 505 N N 0.535 119.251 118.700 0.028 0.000 2.349 505 N HA 0.184 -3.418 4.740 -13.904 0.000 0.180 505 N C 2.133 177.577 175.510 -0.109 0.000 1.024 505 N CA 1.046 54.052 53.050 -0.074 0.000 0.869 505 N CB -0.209 38.218 38.487 -0.099 0.000 1.022 505 N HN 0.387 nan 8.380 nan 0.000 0.433 506 R N 0.127 120.546 120.500 -0.135 0.000 2.066 506 R HA 0.189 -3.813 4.340 -13.904 0.000 0.224 506 R C -0.017 176.220 176.300 -0.105 0.000 1.122 506 R CA 0.553 56.551 56.100 -0.170 0.000 0.974 506 R CB 0.129 30.238 30.300 -0.319 0.000 0.871 506 R HN -0.039 nan 8.270 nan 0.000 0.435 507 V N 1.594 121.470 119.914 -0.063 0.000 2.333 507 V HA 0.160 -4.062 4.120 -13.904 0.000 0.274 507 V C 0.290 176.386 176.094 0.004 0.000 1.028 507 V CA -0.260 61.996 62.300 -0.073 0.000 0.851 507 V CB 1.285 33.006 31.823 -0.169 0.000 1.000 507 V HN 0.168 nan 8.190 nan 0.000 0.456 508 T N 5.215 119.764 114.554 -0.008 0.000 2.889 508 T HA 0.685 -3.307 4.350 -13.904 0.000 0.278 508 T C -0.361 174.345 174.700 0.010 0.000 0.995 508 T CA -0.599 61.518 62.100 0.028 0.000 0.966 508 T CB 0.986 69.862 68.868 0.015 0.000 1.237 508 T HN 0.413 nan 8.240 nan 0.000 0.591 509 L N 2.580 123.790 121.223 -0.022 0.000 2.307 509 L HA 0.513 -3.489 4.340 -13.904 0.000 0.282 509 L C 1.868 178.644 176.870 -0.157 0.000 1.051 509 L CA -0.651 54.126 54.840 -0.105 0.000 0.804 509 L CB 1.200 43.130 42.059 -0.215 0.000 1.197 509 L HN 0.752 nan 8.230 nan 0.000 0.431 510 R N 1.415 121.820 120.500 -0.158 0.000 2.096 510 R HA -0.100 -4.103 4.340 -13.904 0.000 0.235 510 R C -0.465 175.692 176.300 -0.238 0.000 1.127 510 R CA 1.664 57.636 56.100 -0.214 0.000 0.968 510 R CB 0.220 30.323 30.300 -0.327 0.000 0.861 510 R HN 0.959 nan 8.270 nan 0.000 0.440 511 D N -5.021 115.236 120.400 -0.238 0.000 2.671 511 D HA 0.030 -3.672 4.640 -13.904 0.000 0.273 511 D C -0.370 175.828 176.300 -0.169 0.000 1.264 511 D CA -0.784 53.118 54.000 -0.164 0.000 0.788 511 D CB -0.508 40.349 40.800 0.095 0.000 1.324 511 D HN -0.051 nan 8.370 nan 0.000 0.424 512 W N -0.780 120.500 121.300 -0.035 0.000 2.525 512 W HA 0.085 -3.599 4.660 -13.908 0.000 0.259 512 W C 1.177 177.529 176.519 -0.279 0.000 1.253 512 W CA -0.326 56.879 57.345 -0.234 0.000 1.262 512 W CB -0.196 29.024 29.460 -0.398 0.000 1.122 512 W HN 0.313 nan 8.180 nan 0.000 0.607 513 F N 0.243 120.331 119.950 0.229 0.000 2.451 513 F HA -0.187 -4.005 4.527 -13.908 0.000 0.299 513 F C 2.153 178.005 175.800 0.087 0.000 1.101 513 F CA 0.900 58.983 58.000 0.139 0.000 1.436 513 F CB -0.660 38.419 39.000 0.131 0.000 1.074 513 F HN -0.090 nan 8.300 nan 0.000 0.553 514 Q N 0.261 120.178 119.800 0.195 0.000 2.322 514 Q HA 0.038 -3.964 4.340 -13.904 0.000 0.203 514 Q C 2.096 178.155 176.000 0.098 0.000 0.923 514 Q CA 0.094 55.964 55.803 0.111 0.000 0.949 514 Q CB -0.506 28.250 28.738 0.031 0.000 1.039 514 Q HN 0.417 nan 8.270 nan 0.000 0.496 515 L N 1.042 122.327 121.223 0.103 0.000 2.051 515 L HA -0.223 -4.225 4.340 -13.904 0.000 0.214 515 L C 2.223 179.106 176.870 0.023 0.000 1.076 515 L CA 2.109 56.983 54.840 0.056 0.000 0.758 515 L CB -0.977 41.028 42.059 -0.090 0.000 0.890 515 L HN 0.176 nan 8.230 nan 0.000 0.433 516 T N -1.389 113.204 114.554 0.065 0.000 2.881 516 T HA -0.171 -4.163 4.350 -13.904 0.000 0.270 516 T C 1.846 176.589 174.700 0.071 0.000 1.068 516 T CA 1.233 63.374 62.100 0.068 0.000 1.131 516 T CB -0.304 68.658 68.868 0.157 0.000 0.871 516 T HN 0.324 nan 8.240 nan 0.000 0.479 517 L N 1.703 122.979 121.223 0.088 0.000 2.079 517 L HA -0.088 -4.090 4.340 -13.904 0.000 0.210 517 L C 2.237 179.107 176.870 0.001 0.000 1.081 517 L CA 2.209 57.062 54.840 0.022 0.000 0.752 517 L CB -0.447 41.635 42.059 0.039 0.000 0.896 517 L HN 0.410 nan 8.230 nan 0.000 0.433 518 K N -2.703 117.738 120.400 0.068 0.000 2.276 518 K HA 0.053 -3.969 4.320 -13.904 0.000 0.198 518 K C 1.654 178.319 176.600 0.109 0.000 1.052 518 K CA 0.468 56.840 56.287 0.141 0.000 0.984 518 K CB -0.230 32.419 32.500 0.249 0.000 0.836 518 K HN 0.144 nan 8.250 nan 0.000 0.490 519 E N 1.511 121.710 120.200 -0.002 0.000 2.042 519 E HA -0.015 -4.007 4.350 -13.904 0.000 0.189 519 E C 2.308 178.805 176.600 -0.171 0.000 0.974 519 E CA 1.386 57.660 56.400 -0.209 0.000 0.806 519 E CB -0.615 28.636 29.700 -0.748 0.000 0.769 519 E HN 0.485 nan 8.360 nan 0.000 0.451 520 G N 1.849 110.587 108.800 -0.102 0.000 2.446 520 G HA2 -0.257 -4.639 3.960 -13.904 0.000 0.217 520 G HA3 -0.257 -4.639 3.960 -13.904 0.000 0.217 520 G C 1.615 176.519 174.900 0.008 0.000 1.168 520 G CA 0.997 46.089 45.100 -0.013 0.000 0.771 520 G HN 0.218 nan 8.290 nan 0.000 0.551 521 L N 0.732 121.931 121.223 -0.039 0.000 2.093 521 L HA 0.072 -3.930 4.340 -13.904 0.000 0.208 521 L C 2.873 179.747 176.870 0.006 0.000 1.085 521 L CA 2.396 57.223 54.840 -0.021 0.000 0.755 521 L CB -0.815 41.143 42.059 -0.168 0.000 0.904 521 L HN 0.177 nan 8.230 nan 0.000 0.435 522 T N -1.346 113.148 114.554 -0.101 0.000 2.812 522 T HA -0.108 -4.101 4.350 -13.904 0.000 0.264 522 T C 1.979 176.586 174.700 -0.155 0.000 1.042 522 T CA 1.426 63.363 62.100 -0.272 0.000 1.140 522 T CB -0.257 68.138 68.868 -0.788 0.000 0.870 522 T HN 0.167 nan 8.240 nan 0.000 0.445 523 V N 1.401 121.335 119.914 0.034 0.000 2.332 523 V HA -0.226 -4.448 4.120 -13.904 0.000 0.248 523 V C 2.315 178.463 176.094 0.090 0.000 1.055 523 V CA 2.168 64.594 62.300 0.211 0.000 1.038 523 V CB -0.708 31.299 31.823 0.308 0.000 0.651 523 V HN 0.595 nan 8.190 nan 0.000 0.450 524 H N 0.705 119.757 119.070 -0.031 0.000 2.353 524 H HA -0.124 -3.890 4.556 -13.869 0.000 0.300 524 H C 2.427 177.702 175.328 -0.088 0.000 1.090 524 H CA 2.041 58.045 56.048 -0.073 0.000 1.327 524 H CB -0.132 29.609 29.762 -0.036 0.000 1.383 524 H HN 0.286 nan 8.280 nan 0.000 0.508 525 R N 0.146 120.462 120.500 -0.307 0.000 2.081 525 R HA -0.120 -4.122 4.340 -13.904 0.000 0.235 525 R C 2.451 178.497 176.300 -0.423 0.000 1.131 525 R CA 1.408 57.219 56.100 -0.481 0.000 0.960 525 R CB -0.188 29.770 30.300 -0.569 0.000 0.856 525 R HN 0.432 nan 8.270 nan 0.000 0.436 526 E N 0.933 121.110 120.200 -0.039 0.000 2.110 526 E HA -0.200 -4.192 4.350 -13.904 0.000 0.193 526 E C 1.212 177.865 176.600 0.088 0.000 0.988 526 E CA 1.311 57.878 56.400 0.279 0.000 0.804 526 E CB -0.025 29.911 29.700 0.393 0.000 0.745 526 E HN 0.242 nan 8.360 nan 0.000 0.458 527 N N 0.745 119.400 118.700 -0.074 0.000 2.120 527 N HA -0.117 -3.719 4.740 -13.904 0.000 0.188 527 N C 2.129 177.499 175.510 -0.233 0.000 1.024 527 N CA 0.909 53.863 53.050 -0.160 0.000 0.852 527 N CB -0.509 37.845 38.487 -0.223 0.000 1.003 527 N HN 0.210 nan 8.380 nan 0.000 0.424 528 L N -0.435 120.591 121.223 -0.328 0.000 2.046 528 L HA -0.146 -4.148 4.340 -13.904 0.000 0.208 528 L C 2.178 178.723 176.870 -0.542 0.000 1.077 528 L CA 0.986 55.607 54.840 -0.365 0.000 0.747 528 L CB -0.480 41.320 42.059 -0.431 0.000 0.896 528 L HN 0.083 nan 8.230 nan 0.000 0.432 529 F N 0.505 119.892 119.950 -0.939 0.000 2.075 529 F HA -0.232 -4.049 4.527 -13.906 0.000 0.297 529 F C 2.619 178.057 175.800 -0.604 0.000 1.113 529 F CA 1.904 59.146 58.000 -1.264 0.000 1.218 529 F CB -0.476 38.140 39.000 -0.640 0.000 0.984 529 F HN -0.099 nan 8.300 nan 0.000 0.472 530 S N 0.199 115.553 115.700 -0.576 0.000 2.368 530 S HA -0.197 -4.069 4.470 -13.904 0.000 0.225 530 S C 1.824 176.136 174.600 -0.480 0.000 1.030 530 S CA 1.455 59.300 58.200 -0.593 0.000 0.999 530 S CB -0.431 62.588 63.200 -0.301 0.000 0.844 530 S HN 0.521 nan 8.310 nan 0.000 0.459 531 E N 0.593 120.586 120.200 -0.344 0.000 2.085 531 E HA -0.233 -4.225 4.350 -13.904 0.000 0.194 531 E C 2.145 178.603 176.600 -0.236 0.000 0.994 531 E CA 1.336 57.589 56.400 -0.246 0.000 0.801 531 E CB -0.131 29.468 29.700 -0.168 0.000 0.743 531 E HN 0.357 nan 8.360 nan 0.000 0.453 532 E N 0.301 120.341 120.200 -0.265 0.000 2.106 532 E HA -0.148 -4.140 4.350 -13.904 0.000 0.192 532 E C 1.856 178.331 176.600 -0.208 0.000 0.984 532 E CA 1.130 57.437 56.400 -0.154 0.000 0.806 532 E CB 0.098 29.790 29.700 -0.013 0.000 0.750 532 E HN 0.103 nan 8.360 nan 0.000 0.458 533 M N -0.020 119.336 119.600 -0.406 0.000 2.236 533 M HA -0.019 -3.881 4.480 -13.904 0.000 0.266 533 M C 2.324 178.415 176.300 -0.348 0.000 1.070 533 M CA 1.907 56.977 55.300 -0.383 0.000 1.137 533 M CB -1.277 30.943 32.600 -0.633 0.000 1.378 533 M HN 0.312 nan 8.290 nan 0.000 0.426 534 T N -2.944 111.309 114.554 -0.501 0.000 3.014 534 T HA 0.007 -3.985 4.350 -13.904 0.000 0.263 534 T C 0.962 175.517 174.700 -0.241 0.000 1.078 534 T CA 0.260 61.993 62.100 -0.611 0.000 1.135 534 T CB -0.021 68.376 68.868 -0.786 0.000 0.895 534 T HN 0.197 nan 8.240 nan 0.000 0.480 535 K N 1.805 122.097 120.400 -0.180 0.000 3.071 535 K HA -0.136 -4.158 4.320 -13.904 0.000 0.262 535 K C -0.047 176.521 176.600 -0.052 0.000 0.977 535 K CA 1.073 57.308 56.287 -0.087 0.000 0.721 535 K CB -2.364 30.108 32.500 -0.045 0.000 1.293 535 K HN 0.687 nan 8.250 nan 0.000 0.475 536 T N -1.768 112.746 114.554 -0.068 0.000 2.893 536 T HA 0.440 -3.552 4.350 -13.904 0.000 0.293 536 T C 1.343 176.037 174.700 -0.009 0.000 1.027 536 T CA -0.217 61.874 62.100 -0.014 0.000 0.988 536 T CB 1.914 70.795 68.868 0.022 0.000 1.043 536 T HN 0.045 nan 8.240 nan 0.000 0.461 537 V N 2.204 122.132 119.914 0.024 0.000 2.913 537 V HA 0.038 -4.184 4.120 -13.904 0.000 0.260 537 V C 2.318 178.449 176.094 0.062 0.000 1.098 537 V CA 2.087 64.406 62.300 0.031 0.000 1.121 537 V CB -1.866 29.972 31.823 0.025 0.000 0.714 537 V HN 1.019 nan 8.190 nan 0.000 0.487 538 T N -2.894 111.727 114.554 0.112 0.000 3.035 538 T HA -0.132 -4.124 4.350 -13.904 0.000 0.268 538 T C 1.693 176.460 174.700 0.111 0.000 1.109 538 T CA 1.608 63.818 62.100 0.183 0.000 1.119 538 T CB -0.818 68.204 68.868 0.258 0.000 0.900 538 T HN 0.526 nan 8.240 nan 0.000 0.503 539 T N 1.711 116.284 114.554 0.032 0.000 2.674 539 T HA -0.049 -4.041 4.350 -13.904 0.000 0.265 539 T C 2.064 176.766 174.700 0.002 0.000 1.039 539 T CA 1.465 63.560 62.100 -0.007 0.000 1.150 539 T CB -0.282 68.526 68.868 -0.101 0.000 0.864 539 T HN 0.314 nan 8.240 nan 0.000 0.427 540 R N 0.885 121.372 120.500 -0.022 0.000 2.073 540 R HA 0.026 -3.976 4.340 -13.904 0.000 0.234 540 R C 2.120 178.380 176.300 -0.066 0.000 1.134 540 R CA 1.238 57.323 56.100 -0.026 0.000 0.952 540 R CB -1.157 29.129 30.300 -0.024 0.000 0.850 540 R HN 0.215 nan 8.270 nan 0.000 0.433 541 L N 0.833 121.971 121.223 -0.142 0.000 2.042 541 L HA -0.152 -4.154 4.340 -13.904 0.000 0.210 541 L C 2.441 179.088 176.870 -0.370 0.000 1.076 541 L CA 2.333 56.910 54.840 -0.439 0.000 0.749 541 L CB -1.285 40.426 42.059 -0.580 0.000 0.893 541 L HN 0.466 nan 8.230 nan 0.000 0.432 542 S N -2.005 113.662 115.700 -0.054 0.000 2.382 542 S HA -0.265 -4.137 4.470 -13.904 0.000 0.228 542 S C 2.136 176.764 174.600 0.046 0.000 1.027 542 S CA 1.244 59.501 58.200 0.094 0.000 0.991 542 S CB -0.815 62.512 63.200 0.212 0.000 0.823 542 S HN 0.580 nan 8.310 nan 0.000 0.469 543 H N 1.241 120.288 119.070 -0.037 0.000 2.326 543 H HA -0.005 -3.792 4.556 -13.905 0.000 0.301 543 H C 2.117 177.384 175.328 -0.102 0.000 1.081 543 H CA 1.913 57.942 56.048 -0.032 0.000 1.334 543 H CB -0.189 29.568 29.762 -0.008 0.000 1.385 543 H HN 0.361 nan 8.280 nan 0.000 0.504 544 V N 0.991 120.824 119.914 -0.135 0.000 2.343 544 V HA -0.240 -4.463 4.120 -13.904 0.000 0.247 544 V C 2.215 178.085 176.094 -0.374 0.000 1.051 544 V CA 2.205 64.289 62.300 -0.360 0.000 1.036 544 V CB -0.646 30.884 31.823 -0.487 0.000 0.654 544 V HN 0.405 nan 8.190 nan 0.000 0.451 545 D N -0.339 119.912 120.400 -0.248 0.000 2.123 545 D HA -0.205 -3.907 4.640 -13.904 0.000 0.196 545 D C 1.978 178.202 176.300 -0.127 0.000 0.992 545 D CA 1.318 55.244 54.000 -0.122 0.000 0.833 545 D CB -0.080 40.714 40.800 -0.010 0.000 0.954 545 D HN 0.311 nan 8.370 nan 0.000 0.455 546 L N -0.168 120.970 121.223 -0.142 0.000 2.027 546 L HA -0.027 -4.029 4.340 -13.904 0.000 0.206 546 L C 2.120 178.864 176.870 -0.211 0.000 1.074 546 L CA 1.198 55.954 54.840 -0.141 0.000 0.745 546 L CB -0.599 41.381 42.059 -0.133 0.000 0.898 546 L HN 0.179 nan 8.230 nan 0.000 0.433 547 L N -0.333 120.686 121.223 -0.340 0.000 1.989 547 L HA -0.223 -4.226 4.340 -13.904 0.000 0.211 547 L C 2.663 179.213 176.870 -0.534 0.000 1.071 547 L CA 1.823 56.449 54.840 -0.356 0.000 0.749 547 L CB -0.459 41.397 42.059 -0.338 0.000 0.890 547 L HN 0.209 nan 8.230 nan 0.000 0.431 548 R N -0.817 119.244 120.500 -0.731 0.000 2.189 548 R HA -0.054 -4.056 4.340 -13.904 0.000 0.218 548 R C 2.217 178.438 176.300 -0.132 0.000 1.074 548 R CA 1.137 56.665 56.100 -0.953 0.000 0.991 548 R CB -0.363 29.573 30.300 -0.606 0.000 0.883 548 R HN 0.645 nan 8.270 nan 0.000 0.457 549 S N 0.139 115.816 115.700 -0.039 0.000 2.324 549 S HA -0.017 -3.889 4.470 -13.904 0.000 0.210 549 S C 2.116 176.763 174.600 0.077 0.000 1.027 549 S CA 0.508 58.775 58.200 0.111 0.000 0.945 549 S CB -0.635 62.619 63.200 0.091 0.000 0.908 549 S HN -0.006 nan 8.310 nan 0.000 0.496 550 V N 2.238 122.167 119.914 0.024 0.000 2.323 550 V HA -0.081 -4.303 4.120 -13.904 0.000 0.244 550 V C 3.039 179.173 176.094 0.067 0.000 1.041 550 V CA 1.877 64.203 62.300 0.042 0.000 1.025 550 V CB -0.836 30.998 31.823 0.018 0.000 0.656 550 V HN 0.481 nan 8.190 nan 0.000 0.451 551 Q N -0.649 119.179 119.800 0.048 0.000 2.123 551 Q HA -0.129 -4.131 4.340 -13.904 0.000 0.199 551 Q C 2.193 178.333 176.000 0.234 0.000 0.966 551 Q CA 1.579 57.447 55.803 0.109 0.000 0.845 551 Q CB -0.182 28.606 28.738 0.083 0.000 0.907 551 Q HN 0.531 nan 8.270 nan 0.000 0.439 552 F N 1.047 120.976 119.950 -0.035 0.000 2.171 552 F HA -0.164 -3.982 4.527 -13.910 0.000 0.300 552 F C 2.358 178.145 175.800 -0.021 0.000 1.090 552 F CA 0.507 58.463 58.000 -0.074 0.000 1.293 552 F CB -1.092 37.832 39.000 -0.127 0.000 1.013 552 F HN 0.106 nan 8.300 nan 0.000 0.486 553 L N 0.011 121.351 121.223 0.196 0.000 1.989 553 L HA -0.253 -4.255 4.340 -13.904 0.000 0.211 553 L C 2.471 179.389 176.870 0.081 0.000 1.071 553 L CA 1.882 56.786 54.840 0.107 0.000 0.749 553 L CB -0.473 41.644 42.059 0.097 0.000 0.890 553 L HN 0.163 nan 8.230 nan 0.000 0.431 554 E N -0.408 119.848 120.200 0.093 0.000 2.058 554 E HA -0.315 -4.308 4.350 -13.904 0.000 0.194 554 E C 1.715 178.342 176.600 0.045 0.000 0.997 554 E CA 1.750 58.198 56.400 0.080 0.000 0.801 554 E CB -0.054 29.703 29.700 0.094 0.000 0.746 554 E HN 0.490 nan 8.360 nan 0.000 0.450 555 D N -0.625 119.791 120.400 0.027 0.000 2.310 555 D HA -0.068 -3.770 4.640 -13.904 0.000 0.212 555 D C 1.624 177.911 176.300 -0.022 0.000 0.965 555 D CA 1.118 55.105 54.000 -0.022 0.000 0.879 555 D CB 0.055 40.818 40.800 -0.063 0.000 0.921 555 D HN 0.209 nan 8.370 nan 0.000 0.510 556 S N -1.176 114.519 115.700 -0.008 0.000 2.540 556 S HA 0.107 -3.765 4.470 -13.904 0.000 0.218 556 S C 0.862 175.440 174.600 -0.037 0.000 0.977 556 S CA -0.392 57.793 58.200 -0.025 0.000 0.918 556 S CB 0.117 63.299 63.200 -0.029 0.000 0.806 556 S HN 0.101 nan 8.310 nan 0.000 0.496 557 S N 1.465 117.157 115.700 -0.013 0.000 2.693 557 S HA 0.527 -3.345 4.470 -13.904 0.000 0.276 557 S C -2.171 172.432 174.600 0.006 0.000 1.192 557 S CA -1.204 56.985 58.200 -0.018 0.000 0.994 557 S CB 0.738 63.952 63.200 0.023 0.000 1.012 557 S HN -0.005 nan 8.310 nan 0.000 0.550 558 P HA 0.056 nan 4.420 nan 0.000 0.225 558 P C 0.808 178.144 177.300 0.060 0.000 1.148 558 P CA 0.837 63.972 63.100 0.057 0.000 0.779 558 P CB -0.105 31.670 31.700 0.125 0.000 0.780 559 L N -1.719 119.530 121.223 0.044 0.000 2.599 559 L HA 0.062 -3.940 4.340 -13.904 0.000 0.230 559 L C 1.104 178.098 176.870 0.207 0.000 1.141 559 L CA -0.075 54.791 54.840 0.043 0.000 0.877 559 L CB -0.511 41.514 42.059 -0.058 0.000 1.009 559 L HN -0.079 nan 8.230 nan 0.000 0.447 560 S N 0.981 116.771 115.700 0.149 0.000 2.563 560 S HA -0.002 -3.874 4.470 -13.904 0.000 0.294 560 S C -0.250 174.500 174.600 0.251 0.000 1.279 560 S CA -0.197 58.084 58.200 0.134 0.000 1.069 560 S CB -0.220 63.012 63.200 0.053 0.000 0.828 560 S HN 0.458 nan 8.310 nan 0.000 0.497 561 H N 2.699 121.852 119.070 0.139 0.000 3.016 561 H HA 0.615 -3.171 4.556 -13.903 0.000 0.362 561 H C -3.327 172.098 175.328 0.162 0.000 1.233 561 H CA -2.440 53.724 56.048 0.193 0.000 1.124 561 H CB 0.582 30.555 29.762 0.351 0.000 1.850 561 H HN 0.360 nan 8.280 nan 0.000 0.549 562 P HA 0.118 nan 4.420 nan 0.000 0.274 562 P C 1.541 178.967 177.300 0.210 0.000 1.256 562 P CA -0.561 62.628 63.100 0.149 0.000 0.795 562 P CB 1.423 33.221 31.700 0.162 0.000 1.038 563 I N -2.090 118.573 120.570 0.155 0.000 2.614 563 I HA -0.012 -4.184 4.170 -13.904 0.000 0.258 563 I C 1.129 177.410 176.117 0.272 0.000 1.189 563 I CA 1.007 62.418 61.300 0.186 0.000 1.462 563 I CB -0.300 37.746 38.000 0.077 0.000 1.092 563 I HN 0.148 nan 8.210 nan 0.000 0.442 564 R N 2.612 123.293 120.500 0.302 0.000 2.287 564 R HA 0.467 -3.535 4.340 -13.904 0.000 0.316 564 R C -2.633 173.827 176.300 0.267 0.000 1.050 564 R CA -2.043 54.239 56.100 0.303 0.000 0.983 564 R CB 0.789 31.284 30.300 0.324 0.000 1.140 564 R HN 0.057 nan 8.270 nan 0.000 0.528 565 P HA 0.011 nan 4.420 nan 0.000 0.270 565 P C -0.128 177.305 177.300 0.221 0.000 1.223 565 P CA -0.087 63.126 63.100 0.187 0.000 0.785 565 P CB 0.835 32.452 31.700 -0.139 0.000 0.923 566 E N -0.354 119.931 120.200 0.140 0.000 2.400 566 E HA 0.069 -3.923 4.350 -13.904 0.000 0.195 566 E C 0.301 176.939 176.600 0.063 0.000 1.012 566 E CA 0.651 57.087 56.400 0.060 0.000 0.875 566 E CB 0.139 29.895 29.700 0.092 0.000 0.859 566 E HN 0.561 nan 8.360 nan 0.000 0.498 567 S N -0.422 115.375 115.700 0.162 0.000 2.567 567 S HA 0.598 -3.274 4.470 -13.904 0.000 0.270 567 S C -1.097 173.512 174.600 0.016 0.000 1.152 567 S CA -1.101 57.141 58.200 0.070 0.000 0.835 567 S CB 1.198 64.252 63.200 -0.243 0.000 1.115 567 S HN 0.166 nan 8.310 nan 0.000 0.459 568 Y N -1.603 118.681 120.300 -0.026 0.000 2.609 568 Y HA 0.796 -2.998 4.550 -13.905 0.000 0.336 568 Y C -0.461 175.520 175.900 0.136 0.000 1.129 568 Y CA -1.299 56.807 58.100 0.010 0.000 1.040 568 Y CB 0.568 38.935 38.460 -0.155 0.000 1.310 568 Y HN 0.353 nan 8.280 nan 0.000 0.460 569 V N 0.470 120.615 119.914 0.384 0.000 2.627 569 V HA 0.126 -4.096 4.120 -13.904 0.000 0.239 569 V C 0.456 176.817 176.094 0.446 0.000 1.077 569 V CA 1.142 63.632 62.300 0.317 0.000 1.103 569 V CB 0.728 32.666 31.823 0.192 0.000 0.802 569 V HN 0.750 nan 8.190 nan 0.000 0.482 570 S N -0.269 115.663 115.700 0.388 0.000 2.566 570 S HA 0.341 -3.531 4.470 -13.904 0.000 0.324 570 S C 0.503 175.197 174.600 0.156 0.000 1.081 570 S CA -0.509 57.833 58.200 0.238 0.000 1.105 570 S CB 1.160 64.438 63.200 0.130 0.000 0.981 570 S HN 0.264 nan 8.310 nan 0.000 0.464 571 M N 4.396 123.916 119.600 -0.135 0.000 2.279 571 M HA 0.065 -3.797 4.480 -13.904 0.000 0.264 571 M C 1.383 177.621 176.300 -0.103 0.000 1.062 571 M CA 1.753 56.746 55.300 -0.511 0.000 1.099 571 M CB -0.507 31.485 32.600 -1.012 0.000 1.394 571 M HN 0.743 nan 8.290 nan 0.000 0.426 572 E N -0.295 119.860 120.200 -0.074 0.000 2.333 572 E HA -0.118 -4.110 4.350 -13.904 0.000 0.198 572 E C 1.162 177.786 176.600 0.040 0.000 1.007 572 E CA 0.756 57.129 56.400 -0.046 0.000 0.845 572 E CB -0.187 29.416 29.700 -0.161 0.000 0.766 572 E HN 0.509 nan 8.360 nan 0.000 0.507 573 N N -0.832 117.891 118.700 0.040 0.000 2.467 573 N HA -0.012 -3.614 4.740 -13.904 0.000 0.184 573 N C -0.071 175.290 175.510 -0.249 0.000 1.106 573 N CA 0.481 53.490 53.050 -0.068 0.000 0.892 573 N CB 0.217 38.653 38.487 -0.085 0.000 0.969 573 N HN 0.145 nan 8.380 nan 0.000 0.454 574 F N -0.983 118.973 119.950 0.010 0.000 2.647 574 F HA 0.246 -3.570 4.527 -13.905 0.000 0.300 574 F C -0.143 175.624 175.800 -0.054 0.000 1.106 574 F CA -0.469 57.486 58.000 -0.076 0.000 1.313 574 F CB -0.024 38.862 39.000 -0.191 0.000 1.007 574 F HN -0.068 nan 8.300 nan 0.000 0.536 575 Y N 1.142 121.513 120.300 0.119 0.000 2.735 575 Y HA 0.185 -3.604 4.550 -13.899 0.000 0.354 575 Y C 1.083 177.053 175.900 0.117 0.000 1.288 575 Y CA -0.701 57.523 58.100 0.207 0.000 1.836 575 Y CB -0.600 37.910 38.460 0.083 0.000 1.920 575 Y HN -0.043 nan 8.280 nan 0.000 0.438 576 T N -4.529 110.216 114.554 0.319 0.000 2.952 576 T HA 0.094 -3.898 4.350 -13.904 0.000 0.286 576 T C 1.277 176.135 174.700 0.263 0.000 1.024 576 T CA -0.546 61.708 62.100 0.257 0.000 1.029 576 T CB 1.790 70.883 68.868 0.375 0.000 1.094 576 T HN 0.295 nan 8.240 nan 0.000 0.515 577 T N 0.584 115.237 114.554 0.165 0.000 2.778 577 T HA -0.138 -4.130 4.350 -13.904 0.000 0.269 577 T C 1.816 176.625 174.700 0.181 0.000 1.050 577 T CA 2.360 64.550 62.100 0.148 0.000 1.137 577 T CB -1.086 67.832 68.868 0.083 0.000 0.860 577 T HN 0.771 nan 8.240 nan 0.000 0.468 578 T N 0.967 115.621 114.554 0.166 0.000 2.701 578 T HA -0.034 -4.026 4.350 -13.904 0.000 0.263 578 T C 1.981 176.780 174.700 0.165 0.000 1.040 578 T CA 1.402 63.548 62.100 0.078 0.000 1.147 578 T CB -0.493 68.240 68.868 -0.224 0.000 0.865 578 T HN 0.234 nan 8.240 nan 0.000 0.426 579 V N 0.018 120.109 119.914 0.295 0.000 2.358 579 V HA -0.143 -4.366 4.120 -13.904 0.000 0.246 579 V C 2.001 178.222 176.094 0.213 0.000 1.047 579 V CA 1.553 64.012 62.300 0.265 0.000 1.035 579 V CB -0.642 31.356 31.823 0.293 0.000 0.658 579 V HN 0.534 nan 8.190 nan 0.000 0.452 580 Y N 0.060 120.451 120.300 0.153 0.000 2.153 580 Y HA -0.111 -3.899 4.550 -13.897 0.000 0.289 580 Y C 2.588 178.592 175.900 0.172 0.000 1.119 580 Y CA 1.609 59.814 58.100 0.175 0.000 1.116 580 Y CB -0.028 38.545 38.460 0.189 0.000 1.004 580 Y HN 0.247 nan 8.280 nan 0.000 0.501 581 D N -0.564 120.033 120.400 0.328 0.000 2.262 581 D HA -0.071 -3.773 4.640 -13.904 0.000 0.212 581 D C 1.806 178.216 176.300 0.184 0.000 0.964 581 D CA 0.754 54.912 54.000 0.263 0.000 0.875 581 D CB -0.102 40.761 40.800 0.105 0.000 0.996 581 D HN 0.203 nan 8.370 nan 0.000 0.497 582 K N 1.075 121.548 120.400 0.121 0.000 2.103 582 K HA -0.054 -4.076 4.320 -13.904 0.000 0.204 582 K C 2.083 178.673 176.600 -0.018 0.000 1.052 582 K CA 1.179 57.498 56.287 0.053 0.000 0.945 582 K CB -0.167 32.362 32.500 0.048 0.000 0.722 582 K HN 0.033 nan 8.250 nan 0.000 0.443 583 G N 0.323 109.137 108.800 0.022 0.000 2.476 583 G HA2 -0.316 -4.698 3.960 -13.904 0.000 0.218 583 G HA3 -0.316 -4.698 3.960 -13.904 0.000 0.218 583 G C 1.522 176.394 174.900 -0.046 0.000 1.164 583 G CA 1.167 46.250 45.100 -0.028 0.000 0.768 583 G HN 0.402 nan 8.290 nan 0.000 0.560 584 S N 0.006 115.730 115.700 0.041 0.000 2.370 584 S HA -0.109 -3.981 4.470 -13.904 0.000 0.226 584 S C 2.327 176.892 174.600 -0.059 0.000 1.033 584 S CA 1.721 59.949 58.200 0.047 0.000 1.011 584 S CB -0.254 63.032 63.200 0.144 0.000 0.852 584 S HN 0.407 nan 8.310 nan 0.000 0.457 585 E N 0.652 120.815 120.200 -0.061 0.000 2.106 585 E HA -0.047 -4.039 4.350 -13.904 0.000 0.192 585 E C 2.274 178.639 176.600 -0.392 0.000 0.984 585 E CA 0.870 57.159 56.400 -0.184 0.000 0.806 585 E CB -0.641 28.975 29.700 -0.140 0.000 0.750 585 E HN 0.436 nan 8.360 nan 0.000 0.458 586 V N 1.485 121.134 119.914 -0.440 0.000 2.343 586 V HA -0.247 -4.469 4.120 -13.904 0.000 0.247 586 V C 2.372 178.227 176.094 -0.398 0.000 1.051 586 V CA 1.370 63.304 62.300 -0.609 0.000 1.036 586 V CB -0.400 31.035 31.823 -0.647 0.000 0.654 586 V HN 0.247 nan 8.190 nan 0.000 0.451 587 M N -0.538 118.926 119.600 -0.227 0.000 2.175 587 M HA -0.125 -3.987 4.480 -13.904 0.000 0.264 587 M C 2.277 178.316 176.300 -0.435 0.000 1.063 587 M CA 1.588 56.832 55.300 -0.093 0.000 1.119 587 M CB -1.311 31.228 32.600 -0.101 0.000 1.377 587 M HN 0.280 nan 8.290 nan 0.000 0.415 588 R N 0.062 120.184 120.500 -0.630 0.000 2.115 588 R HA -0.052 -4.055 4.340 -13.904 0.000 0.230 588 R C 2.115 178.191 176.300 -0.373 0.000 1.111 588 R CA 1.045 56.759 56.100 -0.643 0.000 0.976 588 R CB -0.053 30.071 30.300 -0.293 0.000 0.870 588 R HN 0.301 nan 8.270 nan 0.000 0.445 589 M N -0.332 119.050 119.600 -0.363 0.000 2.202 589 M HA -0.203 -4.065 4.480 -13.904 0.000 0.262 589 M C 1.603 177.743 176.300 -0.266 0.000 1.063 589 M CA 1.560 56.668 55.300 -0.319 0.000 1.097 589 M CB -0.280 32.071 32.600 -0.416 0.000 1.382 589 M HN 0.154 nan 8.290 nan 0.000 0.413 590 Y N 0.162 120.337 120.300 -0.209 0.000 2.114 590 Y HA -0.288 3.917 4.550 -0.575 0.000 0.282 590 Y C 2.251 178.116 175.900 -0.058 0.000 1.165 590 Y CA 1.542 59.547 58.100 -0.158 0.000 1.148 590 Y CB -0.938 37.569 38.460 0.079 0.000 0.972 590 Y HN 0.173 nan 8.280 nan 0.000 0.504 591 L N -0.431 120.734 121.223 -0.097 0.000 2.017 591 L HA -0.190 -4.192 4.340 -13.904 0.000 0.208 591 L C 2.164 179.008 176.870 -0.044 0.000 1.073 591 L CA 2.353 57.040 54.840 -0.254 0.000 0.745 591 L CB -1.264 40.440 42.059 -0.591 0.000 0.894 591 L HN 0.196 nan 8.230 nan 0.000 0.432 592 T N 0.105 114.620 114.554 -0.066 0.000 2.684 592 T HA -0.195 -4.187 4.350 -13.904 0.000 0.267 592 T C 1.979 176.703 174.700 0.040 0.000 1.036 592 T CA 2.239 64.331 62.100 -0.014 0.000 1.148 592 T CB -0.422 68.422 68.868 -0.040 0.000 0.863 592 T HN 0.352 nan 8.240 nan 0.000 0.436 593 I N 0.464 121.049 120.570 0.025 0.000 2.226 593 I HA -0.102 -4.274 4.170 -13.904 0.000 0.245 593 I C 2.122 178.338 176.117 0.165 0.000 1.100 593 I CA 1.270 62.619 61.300 0.082 0.000 1.374 593 I CB -0.271 37.685 38.000 -0.074 0.000 1.057 593 I HN 0.184 nan 8.210 nan 0.000 0.413 594 L N -0.151 121.181 121.223 0.182 0.000 2.307 594 L HA 0.257 -3.745 4.340 -13.904 0.000 0.211 594 L C 1.144 178.158 176.870 0.241 0.000 1.099 594 L CA 0.291 55.275 54.840 0.240 0.000 0.816 594 L CB -0.757 41.493 42.059 0.319 0.000 0.952 594 L HN 0.431 nan 8.230 nan 0.000 0.455 595 G N 0.538 109.452 108.800 0.190 0.000 2.814 595 G HA2 -0.284 -4.666 3.960 -13.904 0.000 0.677 595 G HA3 -0.284 -4.666 3.960 -13.904 0.000 0.677 595 G C 0.315 175.335 174.900 0.200 0.000 1.429 595 G CA 0.145 45.346 45.100 0.169 0.000 0.868 595 G HN 0.271 nan 8.290 nan 0.000 0.553 596 E N -0.391 119.888 120.200 0.133 0.000 2.058 596 E HA -0.182 -4.174 4.350 -13.904 0.000 0.194 596 E C 2.128 178.769 176.600 0.069 0.000 0.997 596 E CA 1.670 58.135 56.400 0.108 0.000 0.801 596 E CB -0.095 29.611 29.700 0.010 0.000 0.746 596 E HN 0.651 nan 8.360 nan 0.000 0.450 597 E N -0.676 119.529 120.200 0.008 0.000 2.038 597 E HA -0.222 -4.214 4.350 -13.904 0.000 0.195 597 E C 1.881 178.397 176.600 -0.140 0.000 1.000 597 E CA 1.374 57.700 56.400 -0.124 0.000 0.803 597 E CB -0.174 29.400 29.700 -0.210 0.000 0.750 597 E HN 0.375 nan 8.360 nan 0.000 0.448 598 Y N -1.011 119.325 120.300 0.061 0.000 2.373 598 Y HA -0.160 -3.956 4.550 -13.909 0.000 0.293 598 Y C 2.073 178.031 175.900 0.097 0.000 1.129 598 Y CA 1.269 59.407 58.100 0.063 0.000 1.226 598 Y CB -0.391 38.110 38.460 0.068 0.000 1.000 598 Y HN 0.272 nan 8.280 nan 0.000 0.549 599 Y N 1.153 121.561 120.300 0.180 0.000 2.145 599 Y HA -0.241 -4.064 4.550 -13.957 0.000 0.286 599 Y C 2.125 178.135 175.900 0.183 0.000 1.145 599 Y CA 1.676 59.881 58.100 0.176 0.000 1.148 599 Y CB -0.328 38.255 38.460 0.206 0.000 0.981 599 Y HN -0.072 nan 8.280 nan 0.000 0.507 600 K N 0.115 120.554 120.400 0.066 0.000 2.103 600 K HA -0.196 -4.218 4.320 -13.904 0.000 0.207 600 K C 2.086 178.674 176.600 -0.019 0.000 1.048 600 K CA 1.814 58.082 56.287 -0.032 0.000 0.930 600 K CB -0.121 32.292 32.500 -0.145 0.000 0.716 600 K HN 0.314 nan 8.250 nan 0.000 0.444 601 K N -0.220 120.153 120.400 -0.044 0.000 2.025 601 K HA -0.095 -4.118 4.320 -13.904 0.000 0.207 601 K C 2.275 178.854 176.600 -0.034 0.000 1.049 601 K CA 1.382 57.645 56.287 -0.040 0.000 0.933 601 K CB -0.240 32.230 32.500 -0.050 0.000 0.714 601 K HN 0.251 nan 8.250 nan 0.000 0.438 602 G N 0.543 109.305 108.800 -0.065 0.000 2.408 602 G HA2 -0.256 -4.638 3.960 -13.904 0.000 0.217 602 G HA3 -0.256 -4.638 3.960 -13.904 0.000 0.217 602 G C 1.351 176.115 174.900 -0.226 0.000 1.150 602 G CA 0.332 45.331 45.100 -0.168 0.000 0.776 602 G HN 0.231 nan 8.290 nan 0.000 0.542 603 F N 1.496 121.229 119.950 -0.362 0.000 2.146 603 F HA -0.037 -3.865 4.527 -13.925 0.000 0.298 603 F C 2.200 177.988 175.800 -0.020 0.000 1.096 603 F CA 1.825 59.697 58.000 -0.214 0.000 1.275 603 F CB -0.059 38.836 39.000 -0.175 0.000 1.008 603 F HN 0.234 nan 8.300 nan 0.000 0.480 604 D N 0.248 120.739 120.400 0.153 0.000 2.144 604 D HA -0.194 -3.896 4.640 -13.904 0.000 0.199 604 D C 2.214 178.497 176.300 -0.028 0.000 0.984 604 D CA 1.636 55.681 54.000 0.076 0.000 0.834 604 D CB -0.246 40.591 40.800 0.062 0.000 0.955 604 D HN 0.414 nan 8.370 nan 0.000 0.465 605 I N -0.294 120.249 120.570 -0.044 0.000 2.163 605 I HA -0.274 -4.447 4.170 -13.904 0.000 0.243 605 I C 2.042 178.127 176.117 -0.053 0.000 1.085 605 I CA 1.036 62.308 61.300 -0.046 0.000 1.347 605 I CB -0.411 37.559 38.000 -0.050 0.000 1.044 605 I HN 0.157 nan 8.210 nan 0.000 0.408 606 Y N 1.604 121.756 120.300 -0.247 0.000 2.128 606 Y HA -0.270 -4.034 4.550 -13.857 0.000 0.284 606 Y C 2.406 178.180 175.900 -0.211 0.000 1.154 606 Y CA 1.623 59.567 58.100 -0.260 0.000 1.149 606 Y CB -0.122 38.090 38.460 -0.414 0.000 0.976 606 Y HN -0.018 nan 8.280 nan 0.000 0.505 607 I N 0.763 121.106 120.570 -0.378 0.000 2.142 607 I HA -0.275 -4.448 4.170 -13.904 0.000 0.240 607 I C 2.245 178.238 176.117 -0.206 0.000 1.078 607 I CA 1.601 62.697 61.300 -0.340 0.000 1.343 607 I CB -1.276 36.616 38.000 -0.179 0.000 1.046 607 I HN 0.281 nan 8.210 nan 0.000 0.405 608 K N 0.617 120.941 120.400 -0.127 0.000 2.057 608 K HA -0.207 -4.229 4.320 -13.904 0.000 0.207 608 K C 2.141 178.686 176.600 -0.092 0.000 1.049 608 K CA 1.280 57.521 56.287 -0.077 0.000 0.931 608 K CB -0.138 32.335 32.500 -0.046 0.000 0.714 608 K HN 0.163 nan 8.250 nan 0.000 0.440 609 K N 0.657 120.991 120.400 -0.109 0.000 2.148 609 K HA -0.044 -4.066 4.320 -13.904 0.000 0.204 609 K C 1.112 177.629 176.600 -0.140 0.000 1.050 609 K CA 1.078 57.308 56.287 -0.095 0.000 0.942 609 K CB 0.264 32.734 32.500 -0.050 0.000 0.724 609 K HN 0.127 nan 8.250 nan 0.000 0.446 610 N N 0.222 118.782 118.700 -0.234 0.000 2.171 610 N HA -0.067 -3.670 4.740 -13.904 0.000 0.212 610 N C 0.332 175.711 175.510 -0.217 0.000 1.184 610 N CA 0.118 53.017 53.050 -0.253 0.000 0.888 610 N CB 0.570 38.823 38.487 -0.390 0.000 1.038 610 N HN 0.150 nan 8.380 nan 0.000 0.517 611 D N 1.787 122.081 120.400 -0.178 0.000 2.149 611 D HA -0.140 -3.842 4.640 -13.904 0.000 0.194 611 D C 1.671 177.910 176.300 -0.100 0.000 1.001 611 D CA 1.363 55.291 54.000 -0.119 0.000 0.849 611 D CB -0.249 40.514 40.800 -0.061 0.000 0.939 611 D HN 0.334 nan 8.370 nan 0.000 0.449 612 G N -0.883 107.867 108.800 -0.084 0.000 3.141 612 G HA2 0.031 -4.351 3.960 -13.904 0.000 0.218 612 G HA3 0.031 -4.351 3.960 -13.904 0.000 0.218 612 G C 0.364 175.227 174.900 -0.062 0.000 1.170 612 G CA -0.276 44.783 45.100 -0.068 0.000 0.769 612 G HN 0.194 nan 8.290 nan 0.000 0.546 613 N N -0.133 118.523 118.700 -0.074 0.000 2.761 613 N HA 0.341 -3.261 4.740 -13.904 0.000 0.283 613 N C -0.282 175.192 175.510 -0.060 0.000 1.377 613 N CA -0.415 52.599 53.050 -0.060 0.000 0.791 613 N CB 0.727 39.176 38.487 -0.063 0.000 1.540 613 N HN 0.057 nan 8.380 nan 0.000 0.539 614 T N -1.968 112.557 114.554 -0.047 0.000 2.882 614 T HA 0.764 -3.228 4.350 -13.904 0.000 0.287 614 T C -0.023 174.644 174.700 -0.054 0.000 1.014 614 T CA -0.600 61.471 62.100 -0.049 0.000 1.049 614 T CB 1.101 69.937 68.868 -0.054 0.000 1.001 614 T HN 0.678 nan 8.240 nan 0.000 0.525 615 A N 1.166 123.963 122.820 -0.038 0.000 2.594 615 A HA 0.852 -3.170 4.320 -13.904 0.000 0.291 615 A C 0.149 177.729 177.584 -0.008 0.000 1.105 615 A CA -0.693 51.343 52.037 -0.002 0.000 0.694 615 A CB 1.414 20.460 19.000 0.078 0.000 1.291 615 A HN 1.338 nan 8.150 nan 0.000 0.410 616 T N -2.856 111.697 114.554 -0.001 0.000 2.927 616 T HA 0.422 -3.570 4.350 -13.904 0.000 0.286 616 T C 1.042 175.730 174.700 -0.019 0.000 1.040 616 T CA 0.063 62.142 62.100 -0.034 0.000 1.010 616 T CB 0.734 69.555 68.868 -0.079 0.000 1.177 616 T HN 0.726 nan 8.240 nan 0.000 0.546 617 C N 0.423 119.655 119.300 -0.113 0.000 2.422 617 C HA -0.013 -3.895 4.460 -13.904 0.000 0.279 617 C C 2.708 177.543 174.990 -0.258 0.000 1.305 617 C CA 0.876 59.711 59.018 -0.305 0.000 1.757 617 C CB -1.460 25.863 27.740 -0.694 0.000 1.962 617 C HN 1.013 nan 8.230 nan 0.000 0.499 618 E N 1.099 121.208 120.200 -0.152 0.000 2.153 618 E HA -0.158 -4.150 4.350 -13.904 0.000 0.194 618 E C 1.683 178.314 176.600 0.053 0.000 0.988 618 E CA 1.211 57.586 56.400 -0.042 0.000 0.811 618 E CB -0.287 29.398 29.700 -0.024 0.000 0.746 618 E HN 0.599 nan 8.360 nan 0.000 0.466 619 D N -0.340 120.101 120.400 0.067 0.000 2.117 619 D HA -0.165 -3.867 4.640 -13.904 0.000 0.197 619 D C 1.693 178.137 176.300 0.240 0.000 0.987 619 D CA 0.799 54.886 54.000 0.146 0.000 0.829 619 D CB -0.249 40.648 40.800 0.162 0.000 0.961 619 D HN 0.161 nan 8.370 nan 0.000 0.460 620 F N 1.634 121.585 119.950 0.000 0.000 2.113 620 F HA -0.141 -4.056 4.527 -14.069 0.000 0.297 620 F C 2.126 177.798 175.800 -0.215 0.000 1.103 620 F CA 1.118 58.957 58.000 -0.268 0.000 1.248 620 F CB -0.214 38.483 39.000 -0.505 0.000 0.999 620 F HN -0.172 nan 8.300 nan 0.000 0.475 621 N N -0.723 118.004 118.700 0.045 0.000 2.104 621 N HA -0.301 -3.903 4.740 -13.904 0.000 0.190 621 N C 1.907 177.395 175.510 -0.036 0.000 1.024 621 N CA 1.735 54.816 53.050 0.051 0.000 0.853 621 N CB -0.675 37.955 38.487 0.238 0.000 1.008 621 N HN 0.484 nan 8.380 nan 0.000 0.424 622 Y N 0.503 120.758 120.300 -0.075 0.000 2.165 622 Y HA -0.159 -3.954 4.550 -13.909 0.000 0.286 622 Y C 2.187 178.018 175.900 -0.116 0.000 1.155 622 Y CA 1.980 60.045 58.100 -0.059 0.000 1.164 622 Y CB -0.622 37.823 38.460 -0.025 0.000 0.978 622 Y HN 0.154 nan 8.280 nan 0.000 0.513 623 A N 0.236 122.991 122.820 -0.108 0.000 1.898 623 A HA -0.172 -4.194 4.320 -13.904 0.000 0.216 623 A C 2.158 179.514 177.584 -0.380 0.000 1.181 623 A CA 1.875 53.769 52.037 -0.238 0.000 0.620 623 A CB -0.637 18.231 19.000 -0.220 0.000 0.819 623 A HN 0.510 nan 8.150 nan 0.000 0.442 624 M N -0.652 118.626 119.600 -0.537 0.000 2.175 624 M HA -0.121 -3.984 4.480 -13.904 0.000 0.264 624 M C 1.994 178.167 176.300 -0.213 0.000 1.063 624 M CA 1.693 56.708 55.300 -0.476 0.000 1.119 624 M CB -1.292 30.809 32.600 -0.832 0.000 1.377 624 M HN 0.696 nan 8.290 nan 0.000 0.415 625 E N 0.016 120.093 120.200 -0.204 0.000 2.110 625 E HA -0.216 -4.208 4.350 -13.904 0.000 0.193 625 E C 1.970 178.512 176.600 -0.096 0.000 0.988 625 E CA 0.998 57.344 56.400 -0.089 0.000 0.804 625 E CB 0.262 29.893 29.700 -0.116 0.000 0.745 625 E HN 0.385 nan 8.360 nan 0.000 0.458 626 Q N 0.136 119.787 119.800 -0.248 0.000 2.050 626 Q HA -0.143 -4.145 4.340 -13.904 0.000 0.202 626 Q C 2.144 178.107 176.000 -0.061 0.000 0.980 626 Q CA 1.581 57.268 55.803 -0.194 0.000 0.840 626 Q CB -0.688 27.902 28.738 -0.246 0.000 0.898 626 Q HN 0.382 nan 8.270 nan 0.000 0.424 627 A N -0.180 122.621 122.820 -0.031 0.000 1.972 627 A HA -0.202 -4.225 4.320 -13.904 0.000 0.219 627 A C 2.010 179.629 177.584 0.059 0.000 1.169 627 A CA 1.354 53.440 52.037 0.081 0.000 0.635 627 A CB -0.754 18.302 19.000 0.092 0.000 0.810 627 A HN 0.391 nan 8.150 nan 0.000 0.446 628 Y N 0.641 120.891 120.300 -0.084 0.000 2.200 628 Y HA -0.120 -3.877 4.550 -13.845 0.000 0.290 628 Y C 2.228 178.069 175.900 -0.097 0.000 1.137 628 Y CA 1.989 60.040 58.100 -0.081 0.000 1.163 628 Y CB -0.210 38.234 38.460 -0.027 0.000 0.988 628 Y HN 0.265 nan 8.280 nan 0.000 0.518 629 K N -0.504 119.878 120.400 -0.030 0.000 2.063 629 K HA -0.216 -4.238 4.320 -13.904 0.000 0.208 629 K C 2.084 178.598 176.600 -0.143 0.000 1.048 629 K CA 2.044 58.273 56.287 -0.097 0.000 0.928 629 K CB -0.244 32.232 32.500 -0.039 0.000 0.713 629 K HN 0.395 nan 8.250 nan 0.000 0.442 630 M N 0.590 120.120 119.600 -0.116 0.000 2.132 630 M HA -0.141 -4.003 4.480 -13.904 0.000 0.263 630 M C 2.368 178.465 176.300 -0.339 0.000 1.065 630 M CA 1.392 56.638 55.300 -0.090 0.000 1.122 630 M CB -0.223 32.452 32.600 0.125 0.000 1.365 630 M HN 0.055 nan 8.290 nan 0.000 0.411 631 K N 0.749 120.725 120.400 -0.706 0.000 2.025 631 K HA -0.137 -4.159 4.320 -13.904 0.000 0.207 631 K C 1.761 178.067 176.600 -0.491 0.000 1.049 631 K CA 1.170 56.867 56.287 -0.983 0.000 0.933 631 K CB 0.110 32.074 32.500 -0.893 0.000 0.714 631 K HN 0.127 nan 8.250 nan 0.000 0.438 632 K N -0.097 120.037 120.400 -0.443 0.000 2.486 632 K HA 0.018 -4.005 4.320 -13.904 0.000 0.194 632 K C 0.569 177.046 176.600 -0.205 0.000 1.033 632 K CA 0.750 56.833 56.287 -0.340 0.000 1.004 632 K CB 0.241 32.461 32.500 -0.467 0.000 0.798 632 K HN 0.355 nan 8.250 nan 0.000 0.495 633 A N 2.941 125.653 122.820 -0.180 0.000 2.822 633 A HA -0.176 -4.198 4.320 -13.904 0.000 0.287 633 A C -0.388 177.150 177.584 -0.077 0.000 1.479 633 A CA 1.405 53.382 52.037 -0.100 0.000 0.779 633 A CB -2.022 16.937 19.000 -0.068 0.000 1.022 633 A HN 0.570 nan 8.150 nan 0.000 0.532 634 D N -1.757 118.590 120.400 -0.089 0.000 2.878 634 D HA 0.186 -3.516 4.640 -13.904 0.000 0.211 634 D C -0.237 176.037 176.300 -0.044 0.000 1.271 634 D CA -0.688 53.279 54.000 -0.054 0.000 0.845 634 D CB 0.171 40.945 40.800 -0.043 0.000 1.679 634 D HN -0.006 nan 8.370 nan 0.000 0.536 635 N N 0.403 119.090 118.700 -0.021 0.000 2.515 635 N HA -0.070 -3.672 4.740 -13.904 0.000 0.191 635 N C 1.446 176.963 175.510 0.012 0.000 1.182 635 N CA 0.506 53.552 53.050 -0.007 0.000 0.879 635 N CB 0.287 38.773 38.487 -0.001 0.000 0.984 635 N HN 0.580 nan 8.380 nan 0.000 0.453 636 S N -0.598 115.110 115.700 0.013 0.000 2.501 636 S HA 0.218 -3.654 4.470 -13.904 0.000 0.220 636 S C 1.025 175.659 174.600 0.057 0.000 0.997 636 S CA -0.427 57.792 58.200 0.031 0.000 0.919 636 S CB 0.157 63.370 63.200 0.023 0.000 0.778 636 S HN 0.216 nan 8.310 nan 0.000 0.523 637 A N 2.543 125.395 122.820 0.054 0.000 2.511 637 A HA 0.522 -3.501 4.320 -13.904 0.000 0.242 637 A C 0.300 178.017 177.584 0.220 0.000 1.069 637 A CA -0.236 51.879 52.037 0.129 0.000 0.763 637 A CB -0.324 18.685 19.000 0.016 0.000 1.001 637 A HN 0.844 nan 8.150 nan 0.000 0.498 638 N N -0.178 118.697 118.700 0.292 0.000 2.697 638 N HA 0.585 -3.018 4.740 -13.904 0.000 0.272 638 N C -0.867 174.771 175.510 0.213 0.000 1.381 638 N CA -0.896 52.295 53.050 0.236 0.000 0.797 638 N CB 1.151 39.730 38.487 0.153 0.000 1.523 638 N HN 0.273 nan 8.380 nan 0.000 0.518 639 L N 0.588 121.888 121.223 0.128 0.000 3.218 639 L HA 0.377 -3.625 4.340 -13.904 0.000 0.279 639 L C 0.475 177.484 176.870 0.232 0.000 1.287 639 L CA -0.340 54.577 54.840 0.128 0.000 1.024 639 L CB -0.282 41.777 42.059 0.001 0.000 1.409 639 L HN 0.518 nan 8.230 nan 0.000 0.580 640 N N 0.654 119.472 118.700 0.196 0.000 2.104 640 N HA -0.249 -3.851 4.740 -13.904 0.000 0.190 640 N C 1.695 177.324 175.510 0.198 0.000 1.024 640 N CA 1.280 54.437 53.050 0.180 0.000 0.853 640 N CB 0.015 38.581 38.487 0.132 0.000 1.008 640 N HN 0.455 nan 8.380 nan 0.000 0.424 641 Q N -0.539 119.385 119.800 0.206 0.000 2.124 641 Q HA -0.175 -4.177 4.340 -13.904 0.000 0.202 641 Q C 1.723 177.858 176.000 0.224 0.000 0.977 641 Q CA 1.055 56.965 55.803 0.180 0.000 0.850 641 Q CB -0.185 28.652 28.738 0.165 0.000 0.901 641 Q HN 0.447 nan 8.270 nan 0.000 0.429 642 Y N 0.788 121.235 120.300 0.244 0.000 2.256 642 Y HA -0.235 -3.559 4.550 -13.123 0.000 0.288 642 Y C 1.809 177.923 175.900 0.356 0.000 1.155 642 Y CA 1.408 59.681 58.100 0.289 0.000 1.203 642 Y CB -0.060 38.515 38.460 0.192 0.000 0.980 642 Y HN 0.145 nan 8.280 nan 0.000 0.530 643 L N -0.489 121.000 121.223 0.444 0.000 2.263 643 L HA -0.288 -4.290 4.340 -13.904 0.000 0.216 643 L C 2.131 179.189 176.870 0.314 0.000 1.111 643 L CA 0.961 56.072 54.840 0.452 0.000 0.773 643 L CB -0.509 41.720 42.059 0.283 0.000 0.906 643 L HN 0.353 nan 8.230 nan 0.000 0.439 644 L N -2.050 119.232 121.223 0.098 0.000 2.191 644 L HA -0.219 -4.221 4.340 -13.904 0.000 0.212 644 L C 2.211 179.009 176.870 -0.120 0.000 1.103 644 L CA 1.389 56.199 54.840 -0.050 0.000 0.769 644 L CB -0.507 41.445 42.059 -0.179 0.000 0.908 644 L HN 0.365 nan 8.230 nan 0.000 0.438 645 W N -0.669 120.510 121.300 -0.202 0.000 2.350 645 W HA -0.201 -3.892 4.660 -13.918 0.000 0.289 645 W C 2.174 178.499 176.519 -0.324 0.000 1.215 645 W CA 0.491 57.611 57.345 -0.375 0.000 1.236 645 W CB -0.296 28.725 29.460 -0.733 0.000 1.130 645 W HN 0.026 nan 8.180 nan 0.000 0.541 646 F N -0.292 119.759 119.950 0.169 0.000 2.293 646 F HA -0.155 -4.063 4.527 -14.060 0.000 0.297 646 F C 2.580 178.445 175.800 0.109 0.000 1.089 646 F CA 1.577 59.666 58.000 0.147 0.000 1.377 646 F CB -0.828 38.268 39.000 0.160 0.000 1.051 646 F HN -0.181 nan 8.300 nan 0.000 0.511 647 S N -1.511 114.326 115.700 0.229 0.000 2.497 647 S HA 0.052 -3.820 4.470 -13.904 0.000 0.218 647 S C 0.809 175.453 174.600 0.073 0.000 1.023 647 S CA -0.419 57.867 58.200 0.144 0.000 0.913 647 S CB -0.299 62.969 63.200 0.114 0.000 0.800 647 S HN 0.338 nan 8.310 nan 0.000 0.505 648 Q N 2.866 122.676 119.800 0.015 0.000 2.296 648 Q HA 0.462 -3.540 4.340 -13.904 0.000 0.257 648 Q C -0.248 175.735 176.000 -0.028 0.000 0.942 648 Q CA -0.509 55.269 55.803 -0.042 0.000 0.939 648 Q CB 1.016 29.669 28.738 -0.142 0.000 1.198 648 Q HN 0.557 nan 8.270 nan 0.000 0.429 649 S N 2.629 118.323 115.700 -0.009 0.000 2.645 649 S HA 0.872 -3.000 4.470 -13.904 0.000 0.266 649 S C 0.266 174.831 174.600 -0.059 0.000 1.258 649 S CA 0.056 58.249 58.200 -0.013 0.000 0.990 649 S CB 1.325 64.543 63.200 0.029 0.000 0.967 649 S HN 1.147 nan 8.310 nan 0.000 0.556 650 G N 0.223 108.982 108.800 -0.068 0.000 2.692 650 G HA2 0.035 -4.347 3.960 -13.904 0.000 0.686 650 G HA3 0.035 -4.347 3.960 -13.904 0.000 0.686 650 G C -0.541 174.273 174.900 -0.144 0.000 1.243 650 G CA -0.559 44.481 45.100 -0.100 0.000 0.782 650 G HN 1.069 nan 8.290 nan 0.000 0.625 651 T N 3.962 118.387 114.554 -0.215 0.000 2.743 651 T HA 0.583 -3.409 4.350 -13.904 0.000 0.293 651 T C -2.102 172.444 174.700 -0.257 0.000 0.945 651 T CA -0.659 61.215 62.100 -0.377 0.000 1.030 651 T CB 1.621 69.926 68.868 -0.937 0.000 0.912 651 T HN 0.502 nan 8.240 nan 0.000 0.483 652 P HA 0.209 nan 4.420 nan 0.000 0.268 652 P C -0.685 176.592 177.300 -0.038 0.000 1.205 652 P CA -0.333 62.721 63.100 -0.077 0.000 0.771 652 P CB 0.274 31.942 31.700 -0.053 0.000 0.858 653 H N 0.124 119.253 119.070 0.099 0.000 2.488 653 H HA 0.423 -3.363 4.556 -13.902 0.000 0.322 653 H C -0.397 175.028 175.328 0.161 0.000 1.078 653 H CA -0.574 55.595 56.048 0.201 0.000 1.260 653 H CB 0.618 30.510 29.762 0.216 0.000 1.425 653 H HN 0.016 nan 8.280 nan 0.000 0.471 654 V N 3.749 123.822 119.914 0.264 0.000 2.378 654 V HA 0.385 -3.837 4.120 -13.904 0.000 0.288 654 V C -0.178 175.988 176.094 0.121 0.000 1.016 654 V CA -0.658 61.743 62.300 0.170 0.000 0.840 654 V CB 1.073 33.072 31.823 0.294 0.000 0.994 654 V HN 0.947 nan 8.190 nan 0.000 0.431 655 S N 4.360 120.013 115.700 -0.079 0.000 2.607 655 S HA 0.900 -2.972 4.470 -13.904 0.000 0.303 655 S C -1.106 173.289 174.600 -0.342 0.000 1.086 655 S CA -0.660 57.523 58.200 -0.028 0.000 0.995 655 S CB 2.032 65.272 63.200 0.067 0.000 1.084 655 S HN 0.295 nan 8.310 nan 0.000 0.507 656 F N 0.049 120.030 119.950 0.053 0.000 2.576 656 F HA 0.645 -3.172 4.527 -13.906 0.000 0.313 656 F C 0.267 175.871 175.800 -0.327 0.000 1.078 656 F CA -0.671 57.251 58.000 -0.130 0.000 0.921 656 F CB 2.447 41.370 39.000 -0.128 0.000 1.232 656 F HN 0.504 nan 8.300 nan 0.000 0.459 657 K N 1.666 121.918 120.400 -0.246 0.000 2.477 657 K HA 0.638 -3.384 4.320 -13.904 0.000 0.255 657 K C -1.888 174.438 176.600 -0.457 0.000 0.952 657 K CA -1.017 55.074 56.287 -0.326 0.000 0.826 657 K CB 2.850 35.325 32.500 -0.043 0.000 1.331 657 K HN 0.488 nan 8.250 nan 0.000 0.437 658 Y N -0.012 120.373 120.300 0.142 0.000 2.570 658 Y HA 0.464 -3.329 4.550 -13.905 0.000 0.345 658 Y C -0.317 175.603 175.900 0.033 0.000 1.014 658 Y CA -1.113 57.016 58.100 0.049 0.000 1.063 658 Y CB 1.980 40.502 38.460 0.104 0.000 1.272 658 Y HN 0.566 nan 8.280 nan 0.000 0.477 659 N N 0.391 119.163 118.700 0.121 0.000 2.369 659 N HA 0.306 -3.296 4.740 -13.904 0.000 0.287 659 N C -2.433 173.221 175.510 0.240 0.000 1.067 659 N CA -0.614 52.525 53.050 0.148 0.000 0.888 659 N CB 1.241 39.773 38.487 0.075 0.000 1.616 659 N HN 0.593 nan 8.380 nan 0.000 0.482 660 Y N 2.237 122.656 120.300 0.197 0.000 2.331 660 Y HA 0.397 -3.396 4.550 -13.904 0.000 0.334 660 Y C -1.164 174.827 175.900 0.152 0.000 0.960 660 Y CA -0.905 57.347 58.100 0.254 0.000 1.130 660 Y CB 1.242 39.891 38.460 0.314 0.000 1.164 660 Y HN 0.461 nan 8.280 nan 0.000 0.458 661 D N 5.060 125.155 120.400 -0.509 0.000 2.412 661 D HA 0.321 -3.381 4.640 -13.904 0.000 0.224 661 D C 0.524 176.364 176.300 -0.766 0.000 1.093 661 D CA 0.288 54.024 54.000 -0.440 0.000 0.850 661 D CB 1.814 42.490 40.800 -0.207 0.000 1.046 661 D HN 0.869 nan 8.370 nan 0.000 0.507 662 A N 4.292 126.797 122.820 -0.526 0.000 1.933 662 A HA -0.173 -4.195 4.320 -13.904 0.000 0.218 662 A C 1.851 179.363 177.584 -0.121 0.000 1.175 662 A CA 1.244 53.129 52.037 -0.253 0.000 0.628 662 A CB -0.188 18.849 19.000 0.063 0.000 0.814 662 A HN 0.681 nan 8.150 nan 0.000 0.444 663 E N -0.310 119.830 120.200 -0.100 0.000 2.077 663 E HA -0.154 -4.146 4.350 -13.904 0.000 0.193 663 E C 1.770 178.340 176.600 -0.051 0.000 0.989 663 E CA 1.245 57.615 56.400 -0.049 0.000 0.800 663 E CB -0.107 29.571 29.700 -0.036 0.000 0.746 663 E HN 0.556 nan 8.360 nan 0.000 0.452 664 K N 0.325 120.672 120.400 -0.088 0.000 2.418 664 K HA 0.007 -4.015 4.320 -13.904 0.000 0.195 664 K C -0.080 176.502 176.600 -0.029 0.000 1.035 664 K CA 0.140 56.395 56.287 -0.053 0.000 1.003 664 K CB 0.399 32.867 32.500 -0.053 0.000 0.793 664 K HN -0.110 nan 8.250 nan 0.000 0.494 665 K N 1.325 121.688 120.400 -0.061 0.000 3.077 665 K HA -0.231 -4.253 4.320 -13.904 0.000 0.264 665 K C -0.485 176.191 176.600 0.126 0.000 1.008 665 K CA 0.839 57.162 56.287 0.059 0.000 0.740 665 K CB -1.979 30.590 32.500 0.115 0.000 1.273 665 K HN 0.463 nan 8.250 nan 0.000 0.477 666 Q N 0.234 120.042 119.800 0.013 0.000 2.330 666 Q HA 0.437 -3.565 4.340 -13.904 0.000 0.269 666 Q C -1.590 174.583 176.000 0.288 0.000 1.022 666 Q CA -0.853 55.036 55.803 0.143 0.000 0.796 666 Q CB 1.267 30.038 28.738 0.054 0.000 1.271 666 Q HN 0.230 nan 8.270 nan 0.000 0.450 667 Y N 1.588 122.083 120.300 0.326 0.000 2.364 667 Y HA 0.504 -3.289 4.550 -13.905 0.000 0.340 667 Y C -1.207 174.947 175.900 0.424 0.000 0.975 667 Y CA -0.458 57.896 58.100 0.423 0.000 1.089 667 Y CB 1.896 40.608 38.460 0.420 0.000 1.192 667 Y HN 0.528 nan 8.280 nan 0.000 0.454 668 S N 6.608 122.227 115.700 -0.134 0.000 2.482 668 S HA 0.631 -3.241 4.470 -13.904 0.000 0.303 668 S C -0.901 173.634 174.600 -0.109 0.000 1.091 668 S CA -0.684 57.502 58.200 -0.024 0.000 1.057 668 S CB 0.898 64.113 63.200 0.025 0.000 1.031 668 S HN 0.547 nan 8.310 nan 0.000 0.485 669 I N 3.054 123.743 120.570 0.199 0.000 2.390 669 I HA 0.260 -3.912 4.170 -13.904 0.000 0.283 669 I C -0.421 175.909 176.117 0.355 0.000 1.016 669 I CA -0.556 60.949 61.300 0.342 0.000 1.151 669 I CB 0.944 39.278 38.000 0.557 0.000 1.293 669 I HN 0.650 nan 8.210 nan 0.000 0.458 670 H N 6.158 125.303 119.070 0.126 0.000 2.562 670 H HA 0.599 -3.186 4.556 -13.901 0.000 0.314 670 H C -1.193 174.168 175.328 0.055 0.000 1.079 670 H CA -0.239 55.847 56.048 0.064 0.000 1.349 670 H CB 1.110 30.860 29.762 -0.021 0.000 1.432 670 H HN 0.290 nan 8.280 nan 0.000 0.479 671 V N 5.211 124.846 119.914 -0.466 0.000 2.604 671 V HA 0.290 -3.932 4.120 -13.904 0.000 0.305 671 V C -0.290 175.521 176.094 -0.472 0.000 1.043 671 V CA -1.020 61.035 62.300 -0.409 0.000 0.888 671 V CB 1.673 33.433 31.823 -0.105 0.000 0.995 671 V HN 0.878 nan 8.190 nan 0.000 0.429 672 N N 2.498 120.993 118.700 -0.342 0.000 2.238 672 N HA 0.627 -2.975 4.740 -13.904 0.000 0.302 672 N C -0.999 174.468 175.510 -0.072 0.000 1.072 672 N CA -0.663 52.287 53.050 -0.167 0.000 0.792 672 N CB 2.255 40.696 38.487 -0.076 0.000 1.425 672 N HN 0.874 nan 8.380 nan 0.000 0.478 673 Q N 1.816 121.620 119.800 0.006 0.000 2.375 673 Q HA 0.481 -3.521 4.340 -13.904 0.000 0.271 673 Q C -1.865 174.226 176.000 0.152 0.000 1.074 673 Q CA -0.877 54.971 55.803 0.075 0.000 0.808 673 Q CB 2.211 30.978 28.738 0.049 0.000 1.327 673 Q HN 0.658 nan 8.270 nan 0.000 0.441 674 Y N 0.712 121.028 120.300 0.028 0.000 2.390 674 Y HA 0.416 -3.375 4.550 -13.901 0.000 0.324 674 Y C -1.825 174.123 175.900 0.079 0.000 1.151 674 Y CA -0.302 57.808 58.100 0.016 0.000 1.053 674 Y CB 2.359 40.807 38.460 -0.020 0.000 1.277 674 Y HN 0.784 nan 8.280 nan 0.000 0.432 675 T N 6.465 120.669 114.554 -0.584 0.000 2.797 675 T HA 0.394 -3.598 4.350 -13.904 0.000 0.279 675 T C -0.793 173.375 174.700 -0.886 0.000 0.991 675 T CA -0.948 60.835 62.100 -0.529 0.000 0.979 675 T CB 0.935 69.628 68.868 -0.292 0.000 0.943 675 T HN 0.471 nan 8.240 nan 0.000 0.444 676 K N 3.679 123.681 120.400 -0.663 0.000 2.412 676 K HA 0.206 -3.816 4.320 -13.904 0.000 0.281 676 K C -2.370 174.100 176.600 -0.216 0.000 1.027 676 K CA -1.416 54.616 56.287 -0.425 0.000 0.989 676 K CB 0.128 32.532 32.500 -0.161 0.000 0.935 676 K HN 0.291 nan 8.250 nan 0.000 0.475 677 P HA -0.113 nan 4.420 nan 0.000 0.266 677 P C -0.979 176.292 177.300 -0.047 0.000 1.186 677 P CA 0.444 63.505 63.100 -0.065 0.000 0.767 677 P CB 0.524 32.212 31.700 -0.021 0.000 0.820 678 D N -0.156 120.225 120.400 -0.031 0.000 2.812 678 D HA 0.155 -3.547 4.640 -13.904 0.000 0.318 678 D C 0.407 176.711 176.300 0.007 0.000 1.234 678 D CA -0.490 53.502 54.000 -0.013 0.000 0.989 678 D CB 0.047 40.838 40.800 -0.014 0.000 1.442 678 D HN 0.064 nan 8.370 nan 0.000 0.537 679 E N -0.416 119.799 120.200 0.025 0.000 2.347 679 E HA -0.011 -4.003 4.350 -13.904 0.000 0.196 679 E C 0.835 177.465 176.600 0.050 0.000 1.008 679 E CA 0.560 56.984 56.400 0.040 0.000 0.852 679 E CB -0.251 29.482 29.700 0.055 0.000 0.783 679 E HN 0.367 nan 8.360 nan 0.000 0.505 680 N N 0.618 119.348 118.700 0.050 0.000 2.278 680 N HA -0.033 -3.635 4.740 -13.904 0.000 0.181 680 N C 0.107 175.638 175.510 0.034 0.000 1.023 680 N CA 0.591 53.676 53.050 0.058 0.000 0.862 680 N CB 0.235 38.768 38.487 0.075 0.000 1.003 680 N HN 0.117 nan 8.380 nan 0.000 0.431 681 Q N 0.202 120.009 119.800 0.012 0.000 2.310 681 Q HA 0.264 -3.738 4.340 -13.904 0.000 0.270 681 Q C 0.473 176.467 176.000 -0.010 0.000 1.025 681 Q CA -0.335 55.467 55.803 -0.002 0.000 0.772 681 Q CB 3.027 31.754 28.738 -0.019 0.000 1.253 681 Q HN -0.020 nan 8.270 nan 0.000 0.450 682 K N 2.087 122.485 120.400 -0.004 0.000 2.002 682 K HA -0.082 -4.104 4.320 -13.904 0.000 0.209 682 K C -0.472 176.121 176.600 -0.012 0.000 1.048 682 K CA 1.305 57.589 56.287 -0.005 0.000 0.930 682 K CB 0.405 32.905 32.500 0.000 0.000 0.714 682 K HN 0.621 nan 8.250 nan 0.000 0.438 683 E N 1.613 121.804 120.200 -0.015 0.000 2.133 683 E HA 0.151 -3.841 4.350 -13.904 0.000 0.274 683 E C -0.941 175.637 176.600 -0.037 0.000 0.930 683 E CA -0.589 55.799 56.400 -0.019 0.000 0.770 683 E CB 1.639 31.332 29.700 -0.012 0.000 1.104 683 E HN 0.048 nan 8.360 nan 0.000 0.403 684 K N 2.624 122.991 120.400 -0.055 0.000 2.118 684 K HA 0.409 -3.613 4.320 -13.904 0.000 0.267 684 K C -0.183 176.369 176.600 -0.080 0.000 0.991 684 K CA -0.466 55.768 56.287 -0.089 0.000 0.916 684 K CB 1.554 33.969 32.500 -0.142 0.000 1.041 684 K HN 0.331 nan 8.250 nan 0.000 0.455 685 K N 1.776 122.114 120.400 -0.104 0.000 2.267 685 K HA 0.421 -3.601 4.320 -13.904 0.000 0.246 685 K C -2.482 174.040 176.600 -0.131 0.000 0.954 685 K CA -1.992 54.238 56.287 -0.094 0.000 0.824 685 K CB 1.332 33.782 32.500 -0.082 0.000 1.167 685 K HN 0.249 nan 8.250 nan 0.000 0.431 686 P HA 0.101 nan 4.420 nan 0.000 0.271 686 P C -0.840 176.357 177.300 -0.172 0.000 1.216 686 P CA 0.014 63.047 63.100 -0.113 0.000 0.771 686 P CB 0.481 32.143 31.700 -0.064 0.000 0.864 687 L N 2.382 123.456 121.223 -0.249 0.000 2.358 687 L HA 0.455 -3.547 4.340 -13.904 0.000 0.268 687 L C 0.507 177.340 176.870 -0.063 0.000 1.032 687 L CA -1.009 53.597 54.840 -0.390 0.000 0.805 687 L CB 0.720 42.185 42.059 -0.989 0.000 1.253 687 L HN 0.319 nan 8.230 nan 0.000 0.452 688 F N 3.102 122.989 119.950 -0.105 0.000 2.468 688 F HA 0.352 -3.404 4.527 -13.805 0.000 0.356 688 F C -0.138 175.875 175.800 0.355 0.000 1.167 688 F CA -0.514 57.585 58.000 0.164 0.000 1.135 688 F CB 0.172 39.334 39.000 0.270 0.000 1.197 688 F HN 0.216 nan 8.300 nan 0.000 0.569 689 I N 8.855 129.830 120.570 0.674 0.000 2.328 689 I HA 0.272 -3.900 4.170 -13.904 0.000 0.287 689 I C -2.271 174.139 176.117 0.487 0.000 1.012 689 I CA -2.258 59.387 61.300 0.575 0.000 1.195 689 I CB 1.312 39.574 38.000 0.436 0.000 1.350 689 I HN 0.362 nan 8.210 nan 0.000 0.464 690 P HA 0.332 nan 4.420 nan 0.000 0.287 690 P C -0.627 176.745 177.300 0.120 0.000 1.281 690 P CA -0.121 63.134 63.100 0.258 0.000 0.781 690 P CB 0.938 32.739 31.700 0.167 0.000 0.903 691 I N 1.947 122.490 120.570 -0.045 0.000 2.464 691 I HA 0.158 -4.014 4.170 -13.904 0.000 0.277 691 I C 0.170 176.165 176.117 -0.203 0.000 1.040 691 I CA -0.441 60.659 61.300 -0.334 0.000 1.153 691 I CB 0.969 38.638 38.000 -0.552 0.000 1.274 691 I HN 0.125 nan 8.210 nan 0.000 0.469 692 S N 5.534 121.174 115.700 -0.100 0.000 2.488 692 S HA 0.362 -3.510 4.470 -13.904 0.000 0.278 692 S C 0.085 174.660 174.600 -0.042 0.000 1.259 692 S CA -0.590 57.594 58.200 -0.025 0.000 1.061 692 S CB 0.735 63.957 63.200 0.037 0.000 0.910 692 S HN 0.490 nan 8.310 nan 0.000 0.491 693 V N 0.834 120.724 119.914 -0.041 0.000 2.789 693 V HA 1.051 -3.171 4.120 -13.904 0.000 0.311 693 V C 0.127 176.186 176.094 -0.059 0.000 1.073 693 V CA -0.709 61.554 62.300 -0.060 0.000 0.921 693 V CB 1.676 33.448 31.823 -0.084 0.000 1.009 693 V HN 0.815 nan 8.190 nan 0.000 0.426 694 G N 2.392 111.146 108.800 -0.077 0.000 2.630 694 G HA2 0.764 -3.618 3.960 -13.904 0.000 0.296 694 G HA3 0.764 -3.618 3.960 -13.904 0.000 0.296 694 G C -1.570 173.232 174.900 -0.165 0.000 1.285 694 G CA -1.065 43.973 45.100 -0.103 0.000 0.958 694 G HN 0.886 nan 8.290 nan 0.000 0.479 695 L N 1.255 122.358 121.223 -0.199 0.000 2.372 695 L HA 0.423 -3.579 4.340 -13.904 0.000 0.274 695 L C -0.695 176.046 176.870 -0.215 0.000 0.988 695 L CA -0.875 53.806 54.840 -0.265 0.000 0.833 695 L CB 1.924 43.758 42.059 -0.374 0.000 1.236 695 L HN 0.219 nan 8.230 nan 0.000 0.410 696 I N 3.034 123.481 120.570 -0.204 0.000 2.342 696 I HA 0.150 -4.022 4.170 -13.904 0.000 0.291 696 I C 0.331 176.333 176.117 -0.192 0.000 1.010 696 I CA -0.269 60.937 61.300 -0.156 0.000 1.308 696 I CB 1.304 39.244 38.000 -0.100 0.000 1.400 696 I HN 0.582 nan 8.210 nan 0.000 0.488 697 N N 9.986 128.585 118.700 -0.168 0.000 2.416 697 N HA 0.108 -3.495 4.740 -13.904 0.000 0.265 697 N C -1.630 173.785 175.510 -0.159 0.000 1.195 697 N CA -1.547 51.399 53.050 -0.174 0.000 0.943 697 N CB 1.261 39.661 38.487 -0.145 0.000 1.115 697 N HN 0.317 nan 8.380 nan 0.000 0.481 698 P HA -0.083 nan 4.420 nan 0.000 0.223 698 P C 0.451 177.666 177.300 -0.142 0.000 1.151 698 P CA 0.951 63.972 63.100 -0.132 0.000 0.787 698 P CB 0.575 32.203 31.700 -0.122 0.000 0.788 699 E N 0.849 120.965 120.200 -0.140 0.000 2.107 699 E HA -0.105 -4.098 4.350 -13.904 0.000 0.191 699 E C 1.249 177.748 176.600 -0.169 0.000 0.982 699 E CA 1.182 57.502 56.400 -0.132 0.000 0.809 699 E CB -0.528 29.111 29.700 -0.102 0.000 0.756 699 E HN 0.527 nan 8.360 nan 0.000 0.459 700 N N -1.620 116.970 118.700 -0.182 0.000 2.143 700 N HA 0.110 -3.492 4.740 -13.904 0.000 0.222 700 N C 1.077 176.435 175.510 -0.254 0.000 1.264 700 N CA 0.640 53.567 53.050 -0.205 0.000 0.897 700 N CB 0.664 39.071 38.487 -0.134 0.000 1.092 700 N HN 0.096 nan 8.380 nan 0.000 0.516 701 G N 0.305 108.956 108.800 -0.249 0.000 2.155 701 G HA2 -0.293 -4.675 3.960 -13.904 0.000 0.257 701 G HA3 -0.293 -4.675 3.960 -13.904 0.000 0.257 701 G C -0.298 174.548 174.900 -0.090 0.000 0.983 701 G CA 0.374 45.364 45.100 -0.183 0.000 0.676 701 G HN 0.357 nan 8.290 nan 0.000 0.528 702 K N 0.654 120.995 120.400 -0.099 0.000 2.087 702 K HA 0.362 -3.661 4.320 -13.904 0.000 0.255 702 K C 0.513 177.068 176.600 -0.075 0.000 0.988 702 K CA -0.623 55.620 56.287 -0.073 0.000 0.915 702 K CB 0.813 33.270 32.500 -0.071 0.000 1.043 702 K HN 0.271 nan 8.250 nan 0.000 0.457 703 E N 2.415 122.579 120.200 -0.060 0.000 2.376 703 E HA 0.001 -3.992 4.350 -13.904 0.000 0.266 703 E C 0.691 177.247 176.600 -0.074 0.000 1.009 703 E CA 0.336 56.697 56.400 -0.066 0.000 0.902 703 E CB 0.646 30.319 29.700 -0.045 0.000 0.972 703 E HN 0.456 nan 8.360 nan 0.000 0.439 704 M N 2.026 121.566 119.600 -0.100 0.000 2.514 704 M HA 0.202 -3.660 4.480 -13.904 0.000 0.258 704 M C 0.861 177.120 176.300 -0.068 0.000 1.159 704 M CA 0.458 55.701 55.300 -0.095 0.000 1.116 704 M CB 0.312 32.828 32.600 -0.141 0.000 1.333 704 M HN 0.443 nan 8.290 nan 0.000 0.487 705 I N -3.746 116.779 120.570 -0.076 0.000 2.934 705 I HA 0.573 -3.599 4.170 -13.904 0.000 0.306 705 I C -0.342 175.764 176.117 -0.018 0.000 1.110 705 I CA -1.079 60.198 61.300 -0.037 0.000 1.019 705 I CB 1.872 39.835 38.000 -0.060 0.000 1.227 705 I HN -0.270 nan 8.210 nan 0.000 0.434 706 S N 1.766 117.475 115.700 0.015 0.000 2.589 706 S HA 0.020 -3.852 4.470 -13.904 0.000 0.265 706 S C -0.046 174.569 174.600 0.024 0.000 1.342 706 S CA -0.366 57.847 58.200 0.022 0.000 1.005 706 S CB 0.463 63.686 63.200 0.039 0.000 0.909 706 S HN 0.745 nan 8.310 nan 0.000 0.555 707 Q N 0.952 120.766 119.800 0.025 0.000 2.398 707 Q HA -0.032 -4.034 4.340 -13.904 0.000 0.329 707 Q C -1.008 175.021 176.000 0.049 0.000 1.079 707 Q CA 0.705 56.526 55.803 0.030 0.000 1.041 707 Q CB 0.005 28.763 28.738 0.034 0.000 1.084 707 Q HN 0.563 nan 8.270 nan 0.000 0.386 708 T N 3.931 118.513 114.554 0.047 0.000 2.921 708 T HA 0.316 -3.676 4.350 -13.904 0.000 0.297 708 T C -1.082 173.648 174.700 0.050 0.000 1.013 708 T CA -0.638 61.507 62.100 0.076 0.000 0.990 708 T CB 1.808 70.758 68.868 0.135 0.000 1.023 708 T HN 0.485 nan 8.240 nan 0.000 0.447 709 T N 4.146 118.736 114.554 0.059 0.000 2.788 709 T HA 0.442 -3.550 4.350 -13.904 0.000 0.296 709 T C 0.258 174.970 174.700 0.021 0.000 1.009 709 T CA -0.618 61.505 62.100 0.037 0.000 0.949 709 T CB 0.144 69.056 68.868 0.073 0.000 0.946 709 T HN 0.364 nan 8.240 nan 0.000 0.453 710 L N 3.562 124.726 121.223 -0.099 0.000 2.360 710 L HA 0.303 -3.699 4.340 -13.904 0.000 0.276 710 L C 0.776 177.585 176.870 -0.102 0.000 1.121 710 L CA -0.241 54.426 54.840 -0.288 0.000 0.845 710 L CB 0.357 41.914 42.059 -0.837 0.000 1.143 710 L HN 0.565 nan 8.230 nan 0.000 0.452 711 E N 4.061 124.302 120.200 0.069 0.000 1.993 711 E HA 0.222 -3.770 4.350 -13.904 0.000 0.271 711 E C -0.804 175.902 176.600 0.177 0.000 1.008 711 E CA -0.631 55.872 56.400 0.171 0.000 0.814 711 E CB 1.393 31.190 29.700 0.161 0.000 1.098 711 E HN 0.286 nan 8.360 nan 0.000 0.407 712 L N 3.722 125.060 121.223 0.191 0.000 2.278 712 L HA 0.178 -3.824 4.340 -13.904 0.000 0.287 712 L C 0.792 177.686 176.870 0.039 0.000 1.072 712 L CA 0.509 55.479 54.840 0.217 0.000 0.819 712 L CB 0.853 43.053 42.059 0.234 0.000 1.176 712 L HN 0.452 nan 8.230 nan 0.000 0.435 713 T N 0.142 114.665 114.554 -0.052 0.000 3.058 713 T HA 0.353 -3.639 4.350 -13.904 0.000 0.278 713 T C 0.550 175.207 174.700 -0.072 0.000 0.974 713 T CA -0.287 61.729 62.100 -0.141 0.000 0.893 713 T CB 0.065 68.755 68.868 -0.298 0.000 1.138 713 T HN 0.495 nan 8.240 nan 0.000 0.529 714 K N 0.826 121.199 120.400 -0.046 0.000 2.313 714 K HA 0.467 -3.555 4.320 -13.904 0.000 0.235 714 K C 0.795 177.375 176.600 -0.033 0.000 1.035 714 K CA -0.780 55.480 56.287 -0.045 0.000 0.868 714 K CB 1.978 34.444 32.500 -0.058 0.000 1.232 714 K HN -0.002 nan 8.250 nan 0.000 0.459 715 E N 0.631 120.813 120.200 -0.030 0.000 2.110 715 E HA -0.132 -4.125 4.350 -13.904 0.000 0.193 715 E C -0.190 176.389 176.600 -0.034 0.000 0.988 715 E CA 1.075 57.465 56.400 -0.017 0.000 0.804 715 E CB 0.294 29.992 29.700 -0.003 0.000 0.745 715 E HN 0.521 nan 8.360 nan 0.000 0.458 716 S N -0.848 114.816 115.700 -0.061 0.000 2.556 716 S HA 0.554 -3.318 4.470 -13.904 0.000 0.271 716 S C -1.278 173.220 174.600 -0.169 0.000 1.135 716 S CA -1.140 56.977 58.200 -0.138 0.000 0.858 716 S CB 2.357 65.504 63.200 -0.089 0.000 1.114 716 S HN 0.078 nan 8.310 nan 0.000 0.468 717 D N -0.181 120.039 120.400 -0.299 0.000 2.609 717 D HA 0.588 -3.114 4.640 -13.904 0.000 0.239 717 D C -1.507 174.533 176.300 -0.433 0.000 1.229 717 D CA -0.055 53.719 54.000 -0.378 0.000 0.808 717 D CB 2.588 43.066 40.800 -0.537 0.000 1.448 717 D HN 0.605 nan 8.370 nan 0.000 0.433 718 T N 1.829 116.142 114.554 -0.402 0.000 2.786 718 T HA 0.516 -3.476 4.350 -13.904 0.000 0.283 718 T C -0.564 173.883 174.700 -0.422 0.000 0.992 718 T CA -0.358 61.619 62.100 -0.205 0.000 0.954 718 T CB 0.155 69.032 68.868 0.015 0.000 0.934 718 T HN 0.089 nan 8.240 nan 0.000 0.440 719 F N 2.414 122.375 119.950 0.018 0.000 2.388 719 F HA 0.545 -3.271 4.527 -13.905 0.000 0.358 719 F C 0.118 175.822 175.800 -0.160 0.000 1.122 719 F CA -1.003 56.947 58.000 -0.083 0.000 1.056 719 F CB 1.122 40.137 39.000 0.025 0.000 1.155 719 F HN 0.182 nan 8.300 nan 0.000 0.461 720 V N 4.215 124.010 119.914 -0.200 0.000 2.483 720 V HA 0.459 -3.763 4.120 -13.904 0.000 0.295 720 V C -0.629 175.231 176.094 -0.389 0.000 1.035 720 V CA -1.000 61.215 62.300 -0.142 0.000 0.896 720 V CB 1.588 33.379 31.823 -0.052 0.000 0.986 720 V HN 0.459 nan 8.190 nan 0.000 0.447 721 F N 2.680 122.755 119.950 0.207 0.000 2.518 721 F HA 0.536 -3.281 4.527 -13.906 0.000 0.323 721 F C 0.418 176.330 175.800 0.186 0.000 1.129 721 F CA -0.695 57.428 58.000 0.206 0.000 0.920 721 F CB 1.529 40.684 39.000 0.258 0.000 1.160 721 F HN 0.381 nan 8.300 nan 0.000 0.440 722 N N 2.135 120.997 118.700 0.269 0.000 2.476 722 N HA 0.243 -3.359 4.740 -13.904 0.000 0.275 722 N C -0.092 175.532 175.510 0.190 0.000 1.190 722 N CA -0.350 52.815 53.050 0.192 0.000 0.977 722 N CB 0.482 39.039 38.487 0.116 0.000 1.200 722 N HN 0.553 nan 8.380 nan 0.000 0.515 723 N N -0.042 118.746 118.700 0.147 0.000 2.727 723 N HA -0.170 -3.772 4.740 -13.904 0.000 0.249 723 N C -0.955 174.637 175.510 0.137 0.000 1.048 723 N CA 0.567 53.691 53.050 0.123 0.000 0.714 723 N CB -0.950 37.593 38.487 0.093 0.000 0.959 723 N HN 0.392 nan 8.380 nan 0.000 0.544 724 I N 0.358 121.045 120.570 0.194 0.000 2.291 724 I HA 0.199 -3.974 4.170 -13.904 0.000 0.290 724 I C 1.667 177.912 176.117 0.213 0.000 1.050 724 I CA -0.477 60.929 61.300 0.178 0.000 1.245 724 I CB 0.613 38.759 38.000 0.245 0.000 1.405 724 I HN 0.148 nan 8.210 nan 0.000 0.478 725 A N 5.603 128.480 122.820 0.096 0.000 2.119 725 A HA 0.157 -3.866 4.320 -13.904 0.000 0.217 725 A C 0.890 178.536 177.584 0.103 0.000 1.153 725 A CA 0.729 52.826 52.037 0.100 0.000 0.692 725 A CB 0.372 19.395 19.000 0.039 0.000 0.799 725 A HN 0.479 nan 8.150 nan 0.000 0.458 726 V N -0.940 118.950 119.914 -0.040 0.000 3.147 726 V HA 0.302 -3.920 4.120 -13.904 0.000 0.306 726 V C -0.821 174.846 176.094 -0.713 0.000 1.209 726 V CA -1.143 61.037 62.300 -0.201 0.000 1.023 726 V CB 2.063 33.798 31.823 -0.147 0.000 1.059 726 V HN 0.307 nan 8.190 nan 0.000 0.435 727 K N 5.470 125.313 120.400 -0.929 0.000 2.419 727 K HA 0.246 -3.777 4.320 -13.904 0.000 0.282 727 K C -2.334 173.881 176.600 -0.641 0.000 1.056 727 K CA -0.883 54.752 56.287 -1.087 0.000 1.035 727 K CB 0.690 32.883 32.500 -0.511 0.000 0.921 727 K HN 0.450 nan 8.250 nan 0.000 0.472 728 P HA 0.216 nan 4.420 nan 0.000 0.280 728 P C -0.523 176.488 177.300 -0.482 0.000 1.272 728 P CA -0.385 62.354 63.100 -0.601 0.000 0.819 728 P CB 0.877 32.112 31.700 -0.776 0.000 1.122 729 I N 2.195 122.557 120.570 -0.348 0.000 2.321 729 I HA 0.275 -3.897 4.170 -13.904 0.000 0.291 729 I C -2.026 173.924 176.117 -0.277 0.000 0.998 729 I CA -2.668 58.465 61.300 -0.279 0.000 1.227 729 I CB 1.645 39.539 38.000 -0.176 0.000 1.368 729 I HN 0.133 nan 8.210 nan 0.000 0.466 730 P HA 0.042 nan 4.420 nan 0.000 0.280 730 P C -0.533 176.678 177.300 -0.149 0.000 1.244 730 P CA -0.340 62.636 63.100 -0.207 0.000 0.784 730 P CB 1.423 33.026 31.700 -0.163 0.000 0.913 731 S N 3.941 119.574 115.700 -0.110 0.000 2.466 731 S HA 0.422 -3.450 4.470 -13.904 0.000 0.313 731 S C -0.332 174.258 174.600 -0.016 0.000 1.078 731 S CA -0.685 57.487 58.200 -0.046 0.000 1.115 731 S CB -0.970 62.211 63.200 -0.031 0.000 1.006 731 S HN 0.251 nan 8.310 nan 0.000 0.487 732 L N 4.416 125.649 121.223 0.016 0.000 2.325 732 L HA 0.613 -3.389 4.340 -13.904 0.000 0.278 732 L C -0.219 176.846 176.870 0.325 0.000 1.023 732 L CA -0.967 53.881 54.840 0.015 0.000 0.811 732 L CB 0.599 42.537 42.059 -0.201 0.000 1.249 732 L HN 0.683 nan 8.230 nan 0.000 0.431 733 F N 0.669 120.744 119.950 0.209 0.000 3.039 733 F HA -0.223 -4.044 4.527 -13.912 0.000 0.287 733 F C 0.853 176.836 175.800 0.304 0.000 0.956 733 F CA 0.196 58.345 58.000 0.248 0.000 0.971 733 F CB -1.302 37.898 39.000 0.332 0.000 0.943 733 F HN 0.533 nan 8.300 nan 0.000 0.766 734 R N 0.497 121.194 120.500 0.328 0.000 2.583 734 R HA 0.291 -3.711 4.340 -13.904 0.000 0.274 734 R C 1.490 177.940 176.300 0.250 0.000 0.998 734 R CA 0.955 57.244 56.100 0.314 0.000 1.081 734 R CB -0.000 30.399 30.300 0.166 0.000 0.940 734 R HN 0.662 nan 8.270 nan 0.000 0.413 735 G N 2.456 111.424 108.800 0.280 0.000 2.168 735 G HA2 -0.342 -4.725 3.960 -13.904 0.000 0.263 735 G HA3 -0.342 -4.725 3.960 -13.904 0.000 0.263 735 G C 0.143 175.024 174.900 -0.031 0.000 0.977 735 G CA 0.202 45.381 45.100 0.133 0.000 0.659 735 G HN 0.770 nan 8.290 nan 0.000 0.533 736 F N 0.100 119.745 119.950 -0.510 0.000 2.572 736 F HA -0.247 -4.056 4.527 -13.893 0.000 0.282 736 F C 1.450 177.115 175.800 -0.226 0.000 1.047 736 F CA 1.124 58.635 58.000 -0.815 0.000 1.022 736 F CB -1.459 36.758 39.000 -1.306 0.000 1.226 736 F HN 0.986 nan 8.300 nan 0.000 0.827 737 S N 1.287 116.920 115.700 -0.111 0.000 2.561 737 S HA 0.601 -3.272 4.470 -13.904 0.000 0.225 737 S C 0.779 175.298 174.600 -0.136 0.000 0.977 737 S CA 0.406 58.579 58.200 -0.045 0.000 0.926 737 S CB 0.218 63.477 63.200 0.098 0.000 0.769 737 S HN 1.658 nan 8.310 nan 0.000 0.533 738 A N 1.673 124.286 122.820 -0.345 0.000 2.520 738 A HA 0.681 -3.341 4.320 -13.904 0.000 0.298 738 A C -3.154 173.923 177.584 -0.845 0.000 1.051 738 A CA -1.779 50.005 52.037 -0.422 0.000 0.690 738 A CB 1.145 20.183 19.000 0.063 0.000 1.281 738 A HN 0.130 nan 8.150 nan 0.000 0.402 739 P HA 0.322 nan 4.420 nan 0.000 0.244 739 P C -0.363 176.947 177.300 0.017 0.000 1.769 739 P CA 0.280 63.244 63.100 -0.226 0.000 1.102 739 P CB -0.273 31.361 31.700 -0.109 0.000 1.937 740 V N 0.713 120.622 119.914 -0.007 0.000 3.078 740 V HA 0.515 -3.707 4.120 -13.904 0.000 0.311 740 V C -0.964 175.151 176.094 0.035 0.000 1.138 740 V CA -1.467 60.771 62.300 -0.103 0.000 1.007 740 V CB 1.547 33.272 31.823 -0.163 0.000 1.045 740 V HN 0.007 nan 8.190 nan 0.000 0.432 741 Y N 2.450 122.706 120.300 -0.073 0.000 2.537 741 Y HA 0.537 -3.253 4.550 -13.900 0.000 0.339 741 Y C 0.555 176.567 175.900 0.186 0.000 1.066 741 Y CA -0.224 57.932 58.100 0.094 0.000 1.357 741 Y CB 0.435 38.772 38.460 -0.205 0.000 1.175 741 Y HN 0.478 nan 8.280 nan 0.000 0.525 742 I N 4.420 125.268 120.570 0.463 0.000 2.304 742 I HA 0.191 -3.981 4.170 -13.904 0.000 0.291 742 I C -0.253 176.159 176.117 0.492 0.000 1.018 742 I CA -0.250 61.328 61.300 0.463 0.000 1.260 742 I CB 0.727 39.019 38.000 0.487 0.000 1.390 742 I HN 0.528 nan 8.210 nan 0.000 0.475 743 E N 4.889 125.392 120.200 0.506 0.000 2.267 743 E HA 0.045 -3.947 4.350 -13.904 0.000 0.241 743 E C -0.017 176.888 176.600 0.508 0.000 0.950 743 E CA -0.247 56.405 56.400 0.419 0.000 0.776 743 E CB 0.571 30.468 29.700 0.329 0.000 1.207 743 E HN 0.602 nan 8.360 nan 0.000 0.436 744 D N 2.234 122.891 120.400 0.428 0.000 2.317 744 D HA -0.192 -3.894 4.640 -13.904 0.000 0.211 744 D C 0.280 176.821 176.300 0.401 0.000 0.966 744 D CA 0.268 54.508 54.000 0.399 0.000 0.876 744 D CB 0.135 41.078 40.800 0.239 0.000 0.927 744 D HN 0.150 nan 8.370 nan 0.000 0.519 745 Q N -0.290 119.697 119.800 0.313 0.000 2.435 745 Q HA -0.196 -4.198 4.340 -13.904 0.000 0.286 745 Q C -0.336 175.837 176.000 0.288 0.000 1.229 745 Q CA 0.617 56.582 55.803 0.270 0.000 0.884 745 Q CB -2.300 26.589 28.738 0.250 0.000 1.245 745 Q HN 0.541 nan 8.270 nan 0.000 0.488 746 L N 0.288 121.635 121.223 0.206 0.000 2.360 746 L HA 0.400 -3.602 4.340 -13.904 0.000 0.271 746 L C 1.403 178.314 176.870 0.067 0.000 1.057 746 L CA -0.422 54.491 54.840 0.122 0.000 0.803 746 L CB 1.143 43.235 42.059 0.054 0.000 1.207 746 L HN 0.155 nan 8.230 nan 0.000 0.445 747 T N -3.429 111.150 114.554 0.041 0.000 2.788 747 T HA 0.059 -3.933 4.350 -13.904 0.000 0.287 747 T C 0.631 175.321 174.700 -0.016 0.000 1.007 747 T CA -0.649 61.461 62.100 0.017 0.000 1.005 747 T CB 0.918 69.797 68.868 0.017 0.000 1.012 747 T HN 0.497 nan 8.240 nan 0.000 0.530 748 D N -0.262 120.117 120.400 -0.034 0.000 2.178 748 D HA -0.080 -3.782 4.640 -13.904 0.000 0.202 748 D C 1.895 178.165 176.300 -0.050 0.000 0.974 748 D CA 1.118 55.075 54.000 -0.072 0.000 0.841 748 D CB -0.225 40.519 40.800 -0.095 0.000 0.953 748 D HN 0.879 nan 8.370 nan 0.000 0.478 749 E N 0.870 121.055 120.200 -0.025 0.000 2.058 749 E HA -0.223 -4.215 4.350 -13.904 0.000 0.194 749 E C 1.650 178.238 176.600 -0.020 0.000 0.997 749 E CA 1.128 57.519 56.400 -0.016 0.000 0.801 749 E CB 0.087 29.782 29.700 -0.008 0.000 0.746 749 E HN 0.297 nan 8.360 nan 0.000 0.450 750 E N -0.081 120.104 120.200 -0.026 0.000 2.110 750 E HA -0.174 -4.166 4.350 -13.904 0.000 0.193 750 E C 2.315 178.892 176.600 -0.038 0.000 0.988 750 E CA 0.976 57.354 56.400 -0.037 0.000 0.804 750 E CB 0.004 29.676 29.700 -0.047 0.000 0.745 750 E HN 0.203 nan 8.360 nan 0.000 0.458 751 R N 0.256 120.730 120.500 -0.043 0.000 2.092 751 R HA -0.057 -4.060 4.340 -13.904 0.000 0.231 751 R C 2.346 178.620 176.300 -0.043 0.000 1.119 751 R CA 0.922 56.989 56.100 -0.054 0.000 0.970 751 R CB -0.215 30.032 30.300 -0.087 0.000 0.864 751 R HN 0.177 nan 8.270 nan 0.000 0.440 752 I N 0.718 121.269 120.570 -0.032 0.000 2.286 752 I HA -0.284 -4.457 4.170 -13.904 0.000 0.248 752 I C 2.343 178.434 176.117 -0.043 0.000 1.115 752 I CA 1.096 62.391 61.300 -0.009 0.000 1.392 752 I CB -0.125 37.880 38.000 0.009 0.000 1.065 752 I HN 0.169 nan 8.210 nan 0.000 0.418 753 L N 0.205 121.419 121.223 -0.016 0.000 2.056 753 L HA -0.203 -4.206 4.340 -13.904 0.000 0.207 753 L C 2.433 179.327 176.870 0.039 0.000 1.078 753 L CA 1.409 56.274 54.840 0.042 0.000 0.749 753 L CB -0.094 42.006 42.059 0.067 0.000 0.901 753 L HN 0.185 nan 8.230 nan 0.000 0.433 754 L N -1.097 120.130 121.223 0.006 0.000 2.046 754 L HA -0.244 -4.246 4.340 -13.904 0.000 0.208 754 L C 2.501 179.373 176.870 0.004 0.000 1.077 754 L CA 0.850 55.694 54.840 0.007 0.000 0.747 754 L CB -0.617 41.433 42.059 -0.015 0.000 0.896 754 L HN 0.316 nan 8.230 nan 0.000 0.432 755 L N 0.121 121.342 121.223 -0.003 0.000 2.042 755 L HA -0.245 -4.247 4.340 -13.904 0.000 0.210 755 L C 2.439 179.307 176.870 -0.002 0.000 1.076 755 L CA 1.914 56.779 54.840 0.042 0.000 0.749 755 L CB -0.484 41.608 42.059 0.055 0.000 0.893 755 L HN 0.115 nan 8.230 nan 0.000 0.432 756 K N -2.106 118.176 120.400 -0.197 0.000 2.076 756 K HA -0.080 -4.102 4.320 -13.904 0.000 0.204 756 K C 1.586 177.891 176.600 -0.493 0.000 1.051 756 K CA 1.613 57.598 56.287 -0.504 0.000 0.949 756 K CB -0.089 31.695 32.500 -1.193 0.000 0.726 756 K HN 0.328 nan 8.250 nan 0.000 0.443 757 Y N 0.129 120.439 120.300 0.018 0.000 2.430 757 Y HA 0.169 -3.624 4.550 -13.904 0.000 0.254 757 Y C 0.462 176.357 175.900 -0.009 0.000 1.088 757 Y CA -1.121 56.982 58.100 0.006 0.000 1.267 757 Y CB 0.130 38.573 38.460 -0.029 0.000 1.204 757 Y HN -0.057 nan 8.280 nan 0.000 0.515 758 D N 0.203 120.662 120.400 0.098 0.000 2.400 758 D HA -0.016 -3.719 4.640 -13.904 0.000 0.238 758 D C 1.364 177.678 176.300 0.023 0.000 1.157 758 D CA 0.770 54.799 54.000 0.047 0.000 0.889 758 D CB 1.328 42.143 40.800 0.025 0.000 1.199 758 D HN 0.174 nan 8.370 nan 0.000 0.436 759 S N 1.104 116.811 115.700 0.011 0.000 2.478 759 S HA -0.040 -3.912 4.470 -13.904 0.000 0.222 759 S C 0.545 175.138 174.600 -0.011 0.000 1.008 759 S CA -0.101 58.097 58.200 -0.004 0.000 0.928 759 S CB 0.102 63.301 63.200 -0.001 0.000 0.781 759 S HN 0.505 nan 8.310 nan 0.000 0.518 760 D N 0.929 121.337 120.400 0.014 0.000 2.317 760 D HA 0.670 -3.032 4.640 -13.904 0.000 0.234 760 D C 1.031 177.356 176.300 0.043 0.000 1.112 760 D CA 0.169 54.197 54.000 0.047 0.000 0.840 760 D CB 1.341 42.204 40.800 0.105 0.000 1.078 760 D HN 0.122 nan 8.370 nan 0.000 0.486 761 A N 3.973 126.804 122.820 0.018 0.000 1.892 761 A HA -0.203 -4.225 4.320 -13.904 0.000 0.218 761 A C 1.877 179.570 177.584 0.181 0.000 1.188 761 A CA 1.179 53.215 52.037 -0.001 0.000 0.631 761 A CB -0.877 18.105 19.000 -0.029 0.000 0.822 761 A HN 0.749 nan 8.150 nan 0.000 0.447 762 F N 0.873 120.881 119.950 0.096 0.000 2.102 762 F HA -0.147 -3.957 4.527 -13.895 0.000 0.298 762 F C 2.168 178.120 175.800 0.253 0.000 1.105 762 F CA 1.998 60.087 58.000 0.149 0.000 1.239 762 F CB -0.507 38.576 39.000 0.138 0.000 0.991 762 F HN 0.013 nan 8.300 nan 0.000 0.474 763 V N 1.200 121.074 119.914 -0.066 0.000 2.490 763 V HA -0.283 -4.506 4.120 -13.904 0.000 0.250 763 V C 2.504 178.524 176.094 -0.124 0.000 1.061 763 V CA 2.191 64.385 62.300 -0.176 0.000 1.064 763 V CB -0.766 31.084 31.823 0.043 0.000 0.670 763 V HN 0.309 nan 8.190 nan 0.000 0.461 764 R N -0.888 119.629 120.500 0.028 0.000 2.066 764 R HA -0.179 -4.181 4.340 -13.904 0.000 0.232 764 R C 2.381 178.796 176.300 0.192 0.000 1.131 764 R CA 2.043 58.233 56.100 0.151 0.000 0.955 764 R CB -0.565 29.889 30.300 0.258 0.000 0.851 764 R HN 0.679 nan 8.270 nan 0.000 0.432 765 Y N 1.649 122.001 120.300 0.086 0.000 2.224 765 Y HA -0.219 -4.011 4.550 -13.903 0.000 0.289 765 Y C 2.030 177.783 175.900 -0.245 0.000 1.146 765 Y CA 1.732 59.790 58.100 -0.069 0.000 1.182 765 Y CB -0.216 38.217 38.460 -0.045 0.000 0.983 765 Y HN -0.011 nan 8.280 nan 0.000 0.524 766 N N -0.232 118.229 118.700 -0.399 0.000 2.216 766 N HA -0.144 -3.746 4.740 -13.904 0.000 0.183 766 N C 1.833 177.173 175.510 -0.284 0.000 1.017 766 N CA 1.562 54.312 53.050 -0.499 0.000 0.861 766 N CB -0.301 37.715 38.487 -0.785 0.000 0.986 766 N HN 0.356 nan 8.380 nan 0.000 0.428 767 S N -0.587 114.993 115.700 -0.201 0.000 2.356 767 S HA -0.177 -4.049 4.470 -13.904 0.000 0.223 767 S C 2.267 176.762 174.600 -0.175 0.000 1.032 767 S CA 1.154 59.274 58.200 -0.133 0.000 1.005 767 S CB -0.877 62.278 63.200 -0.076 0.000 0.867 767 S HN 0.626 nan 8.310 nan 0.000 0.449 768 C N 1.751 120.958 119.300 -0.154 0.000 2.398 768 C HA -0.155 -4.037 4.460 -13.904 0.000 0.276 768 C C 2.874 177.717 174.990 -0.245 0.000 1.222 768 C CA 1.788 60.704 59.018 -0.170 0.000 1.746 768 C CB -1.724 25.974 27.740 -0.068 0.000 2.039 768 C HN 0.603 nan 8.230 nan 0.000 0.470 769 T N 1.472 115.869 114.554 -0.262 0.000 2.665 769 T HA -0.169 -4.161 4.350 -13.904 0.000 0.268 769 T C 1.556 176.171 174.700 -0.141 0.000 1.035 769 T CA 2.112 64.071 62.100 -0.234 0.000 1.151 769 T CB -0.481 68.100 68.868 -0.478 0.000 0.862 769 T HN 0.598 nan 8.240 nan 0.000 0.438 770 N N 1.019 119.621 118.700 -0.163 0.000 2.120 770 N HA 0.021 -3.581 4.740 -13.904 0.000 0.188 770 N C 1.931 177.324 175.510 -0.195 0.000 1.024 770 N CA 0.905 53.879 53.050 -0.126 0.000 0.852 770 N CB -0.517 37.925 38.487 -0.076 0.000 1.003 770 N HN 0.393 nan 8.380 nan 0.000 0.424 771 I N 0.268 120.636 120.570 -0.337 0.000 2.127 771 I HA -0.319 -4.491 4.170 -13.904 0.000 0.241 771 I C 1.921 177.742 176.117 -0.493 0.000 1.075 771 I CA 1.230 62.195 61.300 -0.558 0.000 1.334 771 I CB -0.390 36.964 38.000 -1.077 0.000 1.040 771 I HN 0.036 nan 8.210 nan 0.000 0.405 772 Y N -0.046 120.010 120.300 -0.406 0.000 2.128 772 Y HA -0.287 -4.080 4.550 -13.905 0.000 0.284 772 Y C 2.641 178.447 175.900 -0.157 0.000 1.154 772 Y CA 1.324 59.283 58.100 -0.234 0.000 1.149 772 Y CB -0.571 37.799 38.460 -0.151 0.000 0.976 772 Y HN 0.111 nan 8.280 nan 0.000 0.505 773 M N -0.031 119.573 119.600 0.006 0.000 2.117 773 M HA -0.227 -4.089 4.480 -13.904 0.000 0.262 773 M C 2.207 178.466 176.300 -0.069 0.000 1.065 773 M CA 1.533 56.794 55.300 -0.064 0.000 1.114 773 M CB -1.125 31.364 32.600 -0.184 0.000 1.361 773 M HN 0.218 nan 8.290 nan 0.000 0.408 774 K N -0.130 120.221 120.400 -0.082 0.000 2.057 774 K HA -0.254 -4.276 4.320 -13.904 0.000 0.207 774 K C 2.103 178.696 176.600 -0.010 0.000 1.049 774 K CA 1.711 57.966 56.287 -0.054 0.000 0.931 774 K CB -0.011 32.444 32.500 -0.075 0.000 0.714 774 K HN 0.147 nan 8.250 nan 0.000 0.440 775 Q N 1.024 120.818 119.800 -0.009 0.000 2.084 775 Q HA -0.087 -4.089 4.340 -13.904 0.000 0.202 775 Q C 1.858 177.928 176.000 0.117 0.000 0.978 775 Q CA 1.683 57.520 55.803 0.057 0.000 0.844 775 Q CB -0.122 28.656 28.738 0.065 0.000 0.898 775 Q HN 0.418 nan 8.270 nan 0.000 0.426 776 I N -0.227 120.405 120.570 0.104 0.000 2.179 776 I HA -0.297 -4.469 4.170 -13.904 0.000 0.242 776 I C 2.055 178.264 176.117 0.153 0.000 1.088 776 I CA 1.051 62.430 61.300 0.132 0.000 1.357 776 I CB -0.293 37.752 38.000 0.075 0.000 1.051 776 I HN 0.239 nan 8.210 nan 0.000 0.409 777 L N -0.460 120.814 121.223 0.085 0.000 2.046 777 L HA -0.242 -4.245 4.340 -13.904 0.000 0.208 777 L C 2.631 179.591 176.870 0.149 0.000 1.077 777 L CA 1.318 56.215 54.840 0.094 0.000 0.747 777 L CB -0.451 41.626 42.059 0.031 0.000 0.896 777 L HN 0.353 nan 8.230 nan 0.000 0.432 778 M N 0.337 120.004 119.600 0.112 0.000 2.059 778 M HA -0.253 -4.115 4.480 -13.904 0.000 0.259 778 M C 1.929 178.296 176.300 0.111 0.000 1.072 778 M CA 2.172 57.529 55.300 0.096 0.000 1.117 778 M CB -0.241 32.400 32.600 0.068 0.000 1.320 778 M HN 0.272 nan 8.290 nan 0.000 0.408 779 N N -1.241 117.548 118.700 0.148 0.000 2.223 779 N HA -0.224 -3.826 4.740 -13.904 0.000 0.185 779 N C 1.641 177.298 175.510 0.244 0.000 1.016 779 N CA 1.375 54.508 53.050 0.139 0.000 0.863 779 N CB -0.270 38.374 38.487 0.261 0.000 0.983 779 N HN 0.403 nan 8.380 nan 0.000 0.429 780 Y N 2.036 122.446 120.300 0.183 0.000 2.145 780 Y HA -0.141 -3.932 4.550 -13.902 0.000 0.286 780 Y C 1.915 177.887 175.900 0.120 0.000 1.145 780 Y CA 1.428 59.639 58.100 0.185 0.000 1.148 780 Y CB -0.134 38.397 38.460 0.119 0.000 0.981 780 Y HN 0.062 nan 8.280 nan 0.000 0.507 781 N N 0.566 119.397 118.700 0.218 0.000 2.244 781 N HA -0.151 -3.753 4.740 -13.904 0.000 0.183 781 N C 1.607 177.088 175.510 -0.047 0.000 1.016 781 N CA 1.617 54.715 53.050 0.080 0.000 0.866 781 N CB -0.231 38.328 38.487 0.120 0.000 0.980 781 N HN 0.600 nan 8.380 nan 0.000 0.430 782 E N -0.169 119.997 120.200 -0.057 0.000 2.047 782 E HA -0.084 -4.076 4.350 -13.904 0.000 0.191 782 E C 1.582 178.006 176.600 -0.293 0.000 0.987 782 E CA 0.763 57.069 56.400 -0.156 0.000 0.799 782 E CB -0.150 29.448 29.700 -0.170 0.000 0.752 782 E HN 0.197 nan 8.360 nan 0.000 0.449 783 F N 0.686 120.500 119.950 -0.227 0.000 2.126 783 F HA -0.199 -4.015 4.527 -13.904 0.000 0.299 783 F C 2.231 177.780 175.800 -0.418 0.000 1.096 783 F CA 0.912 58.707 58.000 -0.341 0.000 1.255 783 F CB -0.540 38.330 39.000 -0.216 0.000 0.997 783 F HN 0.076 nan 8.300 nan 0.000 0.479 784 L N 0.396 121.482 121.223 -0.227 0.000 2.056 784 L HA -0.172 -4.174 4.340 -13.904 0.000 0.207 784 L C 2.311 179.059 176.870 -0.203 0.000 1.078 784 L CA 1.851 56.527 54.840 -0.274 0.000 0.749 784 L CB -0.882 40.953 42.059 -0.373 0.000 0.901 784 L HN 0.064 nan 8.230 nan 0.000 0.433 785 K N -0.749 119.535 120.400 -0.193 0.000 2.057 785 K HA -0.167 -4.189 4.320 -13.904 0.000 0.207 785 K C 2.010 178.478 176.600 -0.221 0.000 1.049 785 K CA 1.342 57.530 56.287 -0.164 0.000 0.931 785 K CB -0.251 32.170 32.500 -0.132 0.000 0.714 785 K HN 0.451 nan 8.250 nan 0.000 0.440 786 A N 1.476 124.066 122.820 -0.384 0.000 1.933 786 A HA -0.216 -4.238 4.320 -13.904 0.000 0.218 786 A C 2.040 179.428 177.584 -0.326 0.000 1.175 786 A CA 1.815 53.531 52.037 -0.535 0.000 0.628 786 A CB -0.448 17.703 19.000 -1.417 0.000 0.814 786 A HN 0.367 nan 8.150 nan 0.000 0.444 787 K N -0.600 119.645 120.400 -0.259 0.000 2.001 787 K HA -0.164 -4.186 4.320 -13.904 0.000 0.208 787 K C 1.789 178.326 176.600 -0.107 0.000 1.048 787 K CA 1.439 57.637 56.287 -0.148 0.000 0.932 787 K CB -0.234 32.188 32.500 -0.129 0.000 0.715 787 K HN 0.383 nan 8.250 nan 0.000 0.437 788 N N 1.344 119.979 118.700 -0.108 0.000 2.104 788 N HA -0.157 -3.759 4.740 -13.904 0.000 0.190 788 N C 0.961 176.433 175.510 -0.062 0.000 1.024 788 N CA 1.388 54.394 53.050 -0.073 0.000 0.853 788 N CB -0.049 38.397 38.487 -0.068 0.000 1.008 788 N HN 0.369 nan 8.380 nan 0.000 0.424 789 E N 0.457 120.610 120.200 -0.078 0.000 2.479 789 E HA 0.100 -3.892 4.350 -13.904 0.000 0.193 789 E C -0.472 176.100 176.600 -0.047 0.000 1.049 789 E CA -0.110 56.256 56.400 -0.057 0.000 0.870 789 E CB 0.143 29.808 29.700 -0.059 0.000 0.944 789 E HN 0.203 nan 8.360 nan 0.000 0.492 790 K N 1.139 121.506 120.400 -0.055 0.000 3.451 790 K HA -0.198 -4.220 4.320 -13.904 0.000 0.273 790 K C -0.583 176.008 176.600 -0.013 0.000 0.944 790 K CA 0.237 56.505 56.287 -0.032 0.000 0.734 790 K CB -1.531 30.959 32.500 -0.016 0.000 1.437 790 K HN 0.260 nan 8.250 nan 0.000 0.454 791 L N 1.048 122.257 121.223 -0.024 0.000 2.371 791 L HA 0.083 -3.920 4.340 -13.904 0.000 0.272 791 L C 1.785 178.716 176.870 0.102 0.000 1.124 791 L CA -0.429 54.431 54.840 0.033 0.000 0.816 791 L CB 0.775 42.854 42.059 0.032 0.000 1.129 791 L HN 0.175 nan 8.230 nan 0.000 0.448 792 E N 1.027 121.285 120.200 0.096 0.000 2.230 792 E HA -0.009 -4.001 4.350 -13.904 0.000 0.192 792 E C 0.348 177.022 176.600 0.123 0.000 0.987 792 E CA 0.440 56.897 56.400 0.095 0.000 0.841 792 E CB 0.392 30.124 29.700 0.053 0.000 0.783 792 E HN 0.698 nan 8.360 nan 0.000 0.481 793 S N -0.548 115.241 115.700 0.147 0.000 2.579 793 S HA 0.710 -3.162 4.470 -13.904 0.000 0.272 793 S C -0.636 174.100 174.600 0.226 0.000 1.141 793 S CA -1.011 57.251 58.200 0.104 0.000 0.843 793 S CB 1.760 64.963 63.200 0.006 0.000 1.122 793 S HN 0.114 nan 8.310 nan 0.000 0.468 794 F N -1.555 118.358 119.950 -0.062 0.000 2.807 794 F HA 0.703 -3.112 4.527 -13.904 0.000 0.316 794 F C -1.569 174.158 175.800 -0.123 0.000 1.162 794 F CA -1.101 56.844 58.000 -0.091 0.000 0.910 794 F CB 0.845 39.778 39.000 -0.112 0.000 1.314 794 F HN 0.637 nan 8.300 nan 0.000 0.454 795 Q N 1.360 121.155 119.800 -0.007 0.000 2.266 795 Q HA 0.784 -3.218 4.340 -13.904 0.000 0.261 795 Q C -1.479 174.448 176.000 -0.122 0.000 0.985 795 Q CA -0.949 54.774 55.803 -0.133 0.000 0.873 795 Q CB 2.801 31.500 28.738 -0.065 0.000 1.306 795 Q HN 0.651 nan 8.270 nan 0.000 0.447 796 L N 0.881 121.949 121.223 -0.258 0.000 2.346 796 L HA 0.483 -3.519 4.340 -13.904 0.000 0.274 796 L C -0.379 176.418 176.870 -0.122 0.000 1.007 796 L CA -0.808 53.832 54.840 -0.334 0.000 0.818 796 L CB 2.173 43.729 42.059 -0.839 0.000 1.284 796 L HN 0.568 nan 8.230 nan 0.000 0.424 797 T N 3.394 117.925 114.554 -0.039 0.000 2.779 797 T HA 0.225 -3.768 4.350 -13.904 0.000 0.296 797 T C -2.332 172.489 174.700 0.201 0.000 0.938 797 T CA -0.922 61.217 62.100 0.065 0.000 1.119 797 T CB 0.710 69.609 68.868 0.053 0.000 0.891 797 T HN 0.256 nan 8.240 nan 0.000 0.526 798 P HA 0.116 nan 4.420 nan 0.000 0.270 798 P C -0.300 177.084 177.300 0.141 0.000 1.223 798 P CA -0.553 62.667 63.100 0.199 0.000 0.785 798 P CB 0.408 32.176 31.700 0.113 0.000 0.923 799 V N 2.476 122.444 119.914 0.090 0.000 2.655 799 V HA -0.021 -4.243 4.120 -13.904 0.000 0.300 799 V C 1.129 177.282 176.094 0.099 0.000 1.044 799 V CA -0.194 62.166 62.300 0.100 0.000 1.095 799 V CB -0.236 31.646 31.823 0.098 0.000 0.952 799 V HN 0.625 nan 8.190 nan 0.000 0.485 800 N N 3.638 122.402 118.700 0.107 0.000 2.301 800 N HA -0.045 -3.647 4.740 -13.904 0.000 0.267 800 N C 1.004 176.585 175.510 0.119 0.000 1.304 800 N CA 0.678 53.786 53.050 0.096 0.000 0.851 800 N CB 1.390 39.915 38.487 0.063 0.000 1.070 800 N HN 0.819 nan 8.380 nan 0.000 0.483 801 A N 4.372 127.230 122.820 0.064 0.000 1.969 801 A HA -0.158 -4.180 4.320 -13.904 0.000 0.218 801 A C 1.901 179.501 177.584 0.026 0.000 1.169 801 A CA 1.158 53.215 52.037 0.034 0.000 0.635 801 A CB -0.149 18.862 19.000 0.018 0.000 0.810 801 A HN 0.754 nan 8.150 nan 0.000 0.445 802 Q N -1.512 118.313 119.800 0.042 0.000 2.172 802 Q HA -0.012 -4.014 4.340 -13.904 0.000 0.200 802 Q C 1.665 177.697 176.000 0.053 0.000 0.964 802 Q CA 1.227 57.048 55.803 0.029 0.000 0.855 802 Q CB -0.511 28.241 28.738 0.023 0.000 0.918 802 Q HN 0.724 nan 8.270 nan 0.000 0.444 803 F N 0.633 120.537 119.950 -0.077 0.000 2.102 803 F HA -0.149 -3.964 4.527 -13.904 0.000 0.298 803 F C 1.603 177.350 175.800 -0.089 0.000 1.105 803 F CA 1.202 59.137 58.000 -0.108 0.000 1.239 803 F CB -0.289 38.625 39.000 -0.144 0.000 0.991 803 F HN 0.010 nan 8.300 nan 0.000 0.474 804 I N 0.237 120.666 120.570 -0.234 0.000 2.208 804 I HA -0.311 -4.483 4.170 -13.904 0.000 0.245 804 I C 2.100 178.099 176.117 -0.197 0.000 1.097 804 I CA 1.630 62.755 61.300 -0.292 0.000 1.363 804 I CB -0.674 37.246 38.000 -0.133 0.000 1.051 804 I HN 0.088 nan 8.210 nan 0.000 0.413 805 D N 1.006 121.343 120.400 -0.105 0.000 2.149 805 D HA -0.153 -3.855 4.640 -13.904 0.000 0.198 805 D C 2.222 178.494 176.300 -0.048 0.000 0.990 805 D CA 1.555 55.521 54.000 -0.057 0.000 0.839 805 D CB -0.036 40.746 40.800 -0.029 0.000 0.948 805 D HN 0.374 nan 8.370 nan 0.000 0.460 806 A N 0.511 123.273 122.820 -0.096 0.000 1.930 806 A HA -0.094 -4.116 4.320 -13.904 0.000 0.217 806 A C 2.367 179.924 177.584 -0.044 0.000 1.175 806 A CA 0.644 52.629 52.037 -0.086 0.000 0.627 806 A CB -0.553 18.394 19.000 -0.089 0.000 0.815 806 A HN 0.181 nan 8.150 nan 0.000 0.443 807 I N -0.406 120.047 120.570 -0.195 0.000 2.179 807 I HA -0.280 -4.452 4.170 -13.904 0.000 0.242 807 I C 2.533 178.639 176.117 -0.018 0.000 1.088 807 I CA 1.897 63.102 61.300 -0.158 0.000 1.357 807 I CB -0.251 37.562 38.000 -0.313 0.000 1.051 807 I HN 0.371 nan 8.210 nan 0.000 0.409 808 K N 0.597 120.984 120.400 -0.022 0.000 2.032 808 K HA -0.283 -4.305 4.320 -13.904 0.000 0.209 808 K C 2.408 179.048 176.600 0.066 0.000 1.048 808 K CA 1.869 58.166 56.287 0.017 0.000 0.927 808 K CB -0.401 32.093 32.500 -0.010 0.000 0.712 808 K HN 0.257 nan 8.250 nan 0.000 0.441 809 Y N 1.083 121.359 120.300 -0.040 0.000 2.081 809 Y HA -0.283 -4.076 4.550 -13.904 0.000 0.280 809 Y C 1.794 177.691 175.900 -0.006 0.000 1.163 809 Y CA 1.697 59.782 58.100 -0.025 0.000 1.135 809 Y CB -0.277 38.156 38.460 -0.046 0.000 0.970 809 Y HN 0.038 nan 8.280 nan 0.000 0.498 810 L N 0.002 121.318 121.223 0.156 0.000 2.083 810 L HA -0.222 -4.224 4.340 -13.904 0.000 0.209 810 L C 2.355 179.250 176.870 0.041 0.000 1.083 810 L CA 1.536 56.439 54.840 0.105 0.000 0.752 810 L CB -0.793 41.391 42.059 0.208 0.000 0.899 810 L HN 0.334 nan 8.230 nan 0.000 0.433 811 L N -1.224 120.024 121.223 0.042 0.000 2.156 811 L HA -0.156 -4.158 4.340 -13.904 0.000 0.208 811 L C 2.006 178.874 176.870 -0.004 0.000 1.095 811 L CA 0.983 55.846 54.840 0.040 0.000 0.770 811 L CB -0.379 41.728 42.059 0.079 0.000 0.914 811 L HN 0.312 nan 8.230 nan 0.000 0.439 812 E N -0.709 119.465 120.200 -0.045 0.000 2.489 812 E HA -0.079 -4.071 4.350 -13.904 0.000 0.193 812 E C 0.072 176.592 176.600 -0.134 0.000 1.057 812 E CA -0.151 56.203 56.400 -0.076 0.000 0.866 812 E CB 0.128 29.788 29.700 -0.067 0.000 0.916 812 E HN 0.212 nan 8.360 nan 0.000 0.500 813 D N 1.107 121.408 120.400 -0.165 0.000 2.352 813 D HA 0.034 -3.668 4.640 -13.904 0.000 0.245 813 D C -1.810 174.414 176.300 -0.126 0.000 1.224 813 D CA -2.434 51.457 54.000 -0.181 0.000 0.879 813 D CB 1.268 41.943 40.800 -0.208 0.000 1.057 813 D HN -0.162 nan 8.370 nan 0.000 0.491 814 P HA -0.133 nan 4.420 nan 0.000 0.219 814 P C 0.733 177.880 177.300 -0.254 0.000 1.146 814 P CA 1.047 63.995 63.100 -0.253 0.000 0.808 814 P CB 0.154 31.625 31.700 -0.382 0.000 0.779 815 H N -1.443 117.608 119.070 -0.031 0.000 2.544 815 H HA 0.324 -3.462 4.556 -13.904 0.000 0.269 815 H C 0.946 176.264 175.328 -0.017 0.000 0.970 815 H CA 0.088 56.123 56.048 -0.022 0.000 1.219 815 H CB -0.250 29.497 29.762 -0.024 0.000 1.421 815 H HN 0.057 nan 8.280 nan 0.000 0.555 816 A N 1.467 124.336 122.820 0.081 0.000 2.407 816 A HA 0.072 -3.951 4.320 -13.904 0.000 0.248 816 A C -0.179 177.461 177.584 0.093 0.000 1.082 816 A CA -0.352 51.730 52.037 0.074 0.000 0.785 816 A CB 0.036 19.100 19.000 0.106 0.000 1.020 816 A HN 0.276 nan 8.150 nan 0.000 0.489 817 D N 1.623 122.088 120.400 0.109 0.000 2.383 817 D HA 0.402 -3.300 4.640 -13.904 0.000 0.252 817 D C 1.186 177.597 176.300 0.186 0.000 1.166 817 D CA 0.653 54.733 54.000 0.134 0.000 0.879 817 D CB 0.952 41.831 40.800 0.133 0.000 1.164 817 D HN 0.547 nan 8.370 nan 0.000 0.462 818 A N 3.451 126.339 122.820 0.112 0.000 1.933 818 A HA -0.065 -4.087 4.320 -13.904 0.000 0.218 818 A C 2.088 179.722 177.584 0.083 0.000 1.175 818 A CA 1.710 53.794 52.037 0.079 0.000 0.628 818 A CB -1.007 18.011 19.000 0.030 0.000 0.814 818 A HN 0.711 nan 8.150 nan 0.000 0.444 819 G N -1.247 107.619 108.800 0.110 0.000 2.418 819 G HA2 -0.213 -4.595 3.960 -13.904 0.000 0.217 819 G HA3 -0.213 -4.595 3.960 -13.904 0.000 0.217 819 G C 1.457 176.476 174.900 0.199 0.000 1.158 819 G CA 1.096 46.257 45.100 0.101 0.000 0.771 819 G HN 0.509 nan 8.290 nan 0.000 0.545 820 F N 1.725 121.778 119.950 0.173 0.000 2.095 820 F HA -0.049 -3.865 4.527 -13.905 0.000 0.298 820 F C 2.668 178.597 175.800 0.215 0.000 1.104 820 F CA 1.955 60.108 58.000 0.255 0.000 1.232 820 F CB -0.105 38.993 39.000 0.163 0.000 0.987 820 F HN 0.043 nan 8.300 nan 0.000 0.475 821 K N 0.103 120.597 120.400 0.157 0.000 2.103 821 K HA -0.192 -4.214 4.320 -13.904 0.000 0.207 821 K C 2.338 178.904 176.600 -0.057 0.000 1.048 821 K CA 1.753 58.054 56.287 0.023 0.000 0.930 821 K CB -0.482 32.065 32.500 0.078 0.000 0.716 821 K HN 0.460 nan 8.250 nan 0.000 0.444 822 S N 0.014 115.672 115.700 -0.070 0.000 2.402 822 S HA -0.145 -4.017 4.470 -13.904 0.000 0.229 822 S C 1.908 176.414 174.600 -0.156 0.000 1.021 822 S CA 0.679 58.792 58.200 -0.144 0.000 0.974 822 S CB -0.467 62.617 63.200 -0.195 0.000 0.800 822 S HN 0.227 nan 8.310 nan 0.000 0.484 823 Y N 2.744 123.010 120.300 -0.057 0.000 2.200 823 Y HA 0.045 -3.747 4.550 -13.902 0.000 0.290 823 Y C 2.430 178.291 175.900 -0.064 0.000 1.137 823 Y CA 0.995 59.076 58.100 -0.031 0.000 1.163 823 Y CB -0.678 37.814 38.460 0.053 0.000 0.988 823 Y HN 0.459 nan 8.280 nan 0.000 0.518 824 I N -1.336 119.225 120.570 -0.013 0.000 2.493 824 I HA -0.109 -4.281 4.170 -13.904 0.000 0.254 824 I C 1.720 177.929 176.117 0.154 0.000 1.160 824 I CA 1.558 62.859 61.300 0.002 0.000 1.445 824 I CB -0.658 37.233 38.000 -0.182 0.000 1.086 824 I HN 0.048 nan 8.210 nan 0.000 0.433 825 V N -1.350 118.609 119.914 0.075 0.000 3.623 825 V HA 0.252 -3.970 4.120 -13.904 0.000 0.271 825 V C 0.751 176.927 176.094 0.138 0.000 1.248 825 V CA -0.027 62.331 62.300 0.098 0.000 1.156 825 V CB -1.129 30.641 31.823 -0.087 0.000 0.870 825 V HN 0.364 nan 8.190 nan 0.000 0.453 826 S N 1.704 117.457 115.700 0.090 0.000 2.451 826 S HA 0.729 -3.143 4.470 -13.904 0.000 0.301 826 S C -0.488 173.989 174.600 -0.205 0.000 1.116 826 S CA -0.459 57.775 58.200 0.055 0.000 1.093 826 S CB 1.804 65.032 63.200 0.046 0.000 1.017 826 S HN 0.253 nan 8.310 nan 0.000 0.482 827 L N 3.702 124.667 121.223 -0.431 0.000 2.473 827 L HA 0.323 -3.679 4.340 -13.904 0.000 0.268 827 L C -1.991 174.694 176.870 -0.309 0.000 1.215 827 L CA -1.330 53.048 54.840 -0.770 0.000 0.823 827 L CB -0.771 40.839 42.059 -0.749 0.000 1.099 827 L HN 0.388 nan 8.230 nan 0.000 0.483 828 P HA -0.003 nan 4.420 nan 0.000 0.267 828 P C -0.852 176.452 177.300 0.007 0.000 1.201 828 P CA -0.280 62.756 63.100 -0.107 0.000 0.775 828 P CB 0.241 31.924 31.700 -0.028 0.000 0.854 829 Q N 1.970 121.800 119.800 0.050 0.000 2.333 829 Q HA -0.076 -4.078 4.340 -13.904 0.000 0.299 829 Q C 0.865 176.952 176.000 0.145 0.000 1.067 829 Q CA 0.669 56.530 55.803 0.097 0.000 0.943 829 Q CB 0.251 29.051 28.738 0.103 0.000 1.233 829 Q HN 0.431 nan 8.270 nan 0.000 0.401 830 D N 2.070 122.535 120.400 0.108 0.000 2.158 830 D HA -0.177 -3.879 4.640 -13.904 0.000 0.197 830 D C 1.511 177.882 176.300 0.119 0.000 0.995 830 D CA 1.415 55.477 54.000 0.104 0.000 0.846 830 D CB 0.124 40.975 40.800 0.085 0.000 0.941 830 D HN 0.429 nan 8.370 nan 0.000 0.456 831 R N -0.940 119.636 120.500 0.128 0.000 2.236 831 R HA -0.069 -4.072 4.340 -13.904 0.000 0.208 831 R C 1.947 178.361 176.300 0.190 0.000 1.036 831 R CA 0.252 56.429 56.100 0.128 0.000 1.001 831 R CB -0.080 30.282 30.300 0.102 0.000 0.896 831 R HN 0.293 nan 8.270 nan 0.000 0.464 832 Y N 1.012 121.383 120.300 0.118 0.000 2.206 832 Y HA -0.039 -3.832 4.550 -13.906 0.000 0.292 832 Y C 1.842 177.948 175.900 0.343 0.000 1.123 832 Y CA 1.108 59.337 58.100 0.214 0.000 1.142 832 Y CB -0.043 38.521 38.460 0.173 0.000 1.006 832 Y HN -0.148 nan 8.280 nan 0.000 0.518 833 I N 0.144 120.909 120.570 0.326 0.000 2.208 833 I HA -0.325 -4.497 4.170 -13.904 0.000 0.245 833 I C 2.472 178.683 176.117 0.156 0.000 1.097 833 I CA 1.763 63.213 61.300 0.251 0.000 1.363 833 I CB -0.435 37.650 38.000 0.142 0.000 1.051 833 I HN 0.285 nan 8.210 nan 0.000 0.413 834 I N 1.172 121.778 120.570 0.059 0.000 2.530 834 I HA -0.295 -4.467 4.170 -13.904 0.000 0.257 834 I C 1.880 177.937 176.117 -0.101 0.000 1.179 834 I CA 1.300 62.584 61.300 -0.027 0.000 1.440 834 I CB -0.285 37.705 38.000 -0.018 0.000 1.087 834 I HN 0.316 nan 8.210 nan 0.000 0.440 835 N N 0.327 118.919 118.700 -0.181 0.000 2.520 835 N HA -0.124 -3.727 4.740 -13.904 0.000 0.185 835 N C 0.824 175.911 175.510 -0.705 0.000 1.068 835 N CA 1.194 53.975 53.050 -0.447 0.000 0.911 835 N CB -0.069 38.103 38.487 -0.526 0.000 0.961 835 N HN 0.413 nan 8.380 nan 0.000 0.446 836 F N -0.423 119.422 119.950 -0.175 0.000 2.682 836 F HA 0.271 -3.545 4.527 -13.905 0.000 0.308 836 F C 0.239 175.943 175.800 -0.161 0.000 1.093 836 F CA -0.193 57.703 58.000 -0.174 0.000 1.244 836 F CB 0.739 39.640 39.000 -0.166 0.000 1.052 836 F HN -0.316 nan 8.300 nan 0.000 0.573 837 V N -0.018 119.859 119.914 -0.060 0.000 2.525 837 V HA 0.333 -3.889 4.120 -13.904 0.000 0.299 837 V C -0.171 175.861 176.094 -0.104 0.000 1.034 837 V CA -1.159 61.066 62.300 -0.127 0.000 0.863 837 V CB 1.636 33.272 31.823 -0.312 0.000 0.999 837 V HN 0.031 nan 8.190 nan 0.000 0.423 838 S N 4.153 119.815 115.700 -0.063 0.000 2.580 838 S HA 0.290 -3.582 4.470 -13.904 0.000 0.274 838 S C 0.652 175.246 174.600 -0.012 0.000 1.329 838 S CA -0.516 57.656 58.200 -0.047 0.000 1.036 838 S CB 0.229 63.410 63.200 -0.031 0.000 0.919 838 S HN 0.872 nan 8.310 nan 0.000 0.515 839 N N 0.253 118.943 118.700 -0.018 0.000 2.714 839 N HA -0.179 -3.781 4.740 -13.904 0.000 0.252 839 N C -0.596 174.951 175.510 0.062 0.000 1.014 839 N CA 0.186 53.246 53.050 0.017 0.000 0.735 839 N CB -1.376 37.130 38.487 0.033 0.000 0.924 839 N HN 0.679 nan 8.380 nan 0.000 0.540 840 L N 0.926 122.164 121.223 0.026 0.000 2.615 840 L HA 0.018 -3.984 4.340 -13.904 0.000 0.271 840 L C 0.591 177.528 176.870 0.111 0.000 1.183 840 L CA 0.487 55.360 54.840 0.055 0.000 0.933 840 L CB 0.334 42.361 42.059 -0.052 0.000 1.199 840 L HN 0.058 nan 8.230 nan 0.000 0.487 841 D N 3.265 123.809 120.400 0.239 0.000 2.336 841 D HA 0.020 -3.682 4.640 -13.904 0.000 0.249 841 D C 1.231 177.615 176.300 0.140 0.000 1.213 841 D CA 0.406 54.493 54.000 0.145 0.000 0.870 841 D CB 1.482 42.334 40.800 0.087 0.000 1.076 841 D HN 0.759 nan 8.370 nan 0.000 0.483 842 T N 0.710 115.288 114.554 0.040 0.000 2.867 842 T HA -0.146 -4.138 4.350 -13.904 0.000 0.268 842 T C 1.183 175.902 174.700 0.032 0.000 1.057 842 T CA 0.745 62.843 62.100 -0.004 0.000 1.136 842 T CB 0.136 68.920 68.868 -0.139 0.000 0.874 842 T HN 0.282 nan 8.240 nan 0.000 0.466 843 D N 1.261 121.673 120.400 0.020 0.000 2.117 843 D HA -0.040 -3.743 4.640 -13.904 0.000 0.198 843 D C 2.363 178.624 176.300 -0.064 0.000 0.982 843 D CA 0.917 54.909 54.000 -0.014 0.000 0.828 843 D CB -0.290 40.496 40.800 -0.023 0.000 0.967 843 D HN 0.316 nan 8.370 nan 0.000 0.464 844 V N 1.455 121.330 119.914 -0.065 0.000 2.295 844 V HA -0.222 -4.444 4.120 -13.904 0.000 0.246 844 V C 2.524 178.614 176.094 -0.006 0.000 1.049 844 V CA 1.055 63.262 62.300 -0.156 0.000 1.024 844 V CB -0.482 31.152 31.823 -0.316 0.000 0.648 844 V HN 0.123 nan 8.190 nan 0.000 0.447 845 L N 0.986 122.343 121.223 0.222 0.000 2.046 845 L HA -0.099 -4.101 4.340 -13.904 0.000 0.208 845 L C 2.466 179.400 176.870 0.106 0.000 1.077 845 L CA 2.358 57.348 54.840 0.250 0.000 0.747 845 L CB -1.046 41.120 42.059 0.177 0.000 0.896 845 L HN 0.226 nan 8.230 nan 0.000 0.432 846 A N -0.739 122.109 122.820 0.047 0.000 1.908 846 A HA -0.238 -4.260 4.320 -13.904 0.000 0.218 846 A C 1.993 179.561 177.584 -0.026 0.000 1.181 846 A CA 1.981 54.035 52.037 0.029 0.000 0.627 846 A CB -0.892 18.122 19.000 0.024 0.000 0.818 846 A HN 0.544 nan 8.150 nan 0.000 0.445 847 D N -0.652 119.640 120.400 -0.179 0.000 2.144 847 D HA -0.080 -3.783 4.640 -13.904 0.000 0.199 847 D C 2.008 178.136 176.300 -0.288 0.000 0.984 847 D CA 1.736 55.490 54.000 -0.410 0.000 0.834 847 D CB -0.668 39.556 40.800 -0.961 0.000 0.955 847 D HN 0.421 nan 8.370 nan 0.000 0.465 848 T N 1.125 115.621 114.554 -0.098 0.000 2.708 848 T HA -0.104 -4.096 4.350 -13.904 0.000 0.266 848 T C 1.853 176.719 174.700 0.277 0.000 1.037 848 T CA 0.945 63.214 62.100 0.282 0.000 1.146 848 T CB 0.047 69.122 68.868 0.346 0.000 0.865 848 T HN 0.130 nan 8.240 nan 0.000 0.435 849 K N 1.009 121.513 120.400 0.173 0.000 2.057 849 K HA -0.086 -4.109 4.320 -13.904 0.000 0.207 849 K C 2.348 179.095 176.600 0.245 0.000 1.049 849 K CA 1.065 57.440 56.287 0.146 0.000 0.931 849 K CB -0.278 32.320 32.500 0.164 0.000 0.714 849 K HN 0.482 nan 8.250 nan 0.000 0.440 850 E N 0.281 120.620 120.200 0.232 0.000 2.058 850 E HA -0.239 -4.231 4.350 -13.904 0.000 0.194 850 E C 2.040 178.799 176.600 0.266 0.000 0.997 850 E CA 1.158 57.695 56.400 0.227 0.000 0.801 850 E CB -0.202 29.576 29.700 0.131 0.000 0.746 850 E HN 0.275 nan 8.360 nan 0.000 0.450 851 Y N 1.001 121.421 120.300 0.201 0.000 2.128 851 Y HA -0.222 -4.015 4.550 -13.904 0.000 0.284 851 Y C 1.904 177.916 175.900 0.187 0.000 1.154 851 Y CA 1.892 60.134 58.100 0.238 0.000 1.149 851 Y CB -0.228 38.470 38.460 0.396 0.000 0.976 851 Y HN 0.052 nan 8.280 nan 0.000 0.505 852 I N -1.341 119.275 120.570 0.077 0.000 2.202 852 I HA -0.328 -4.500 4.170 -13.904 0.000 0.242 852 I C 1.886 177.970 176.117 -0.056 0.000 1.091 852 I CA 1.293 62.554 61.300 -0.064 0.000 1.368 852 I CB -0.614 37.398 38.000 0.020 0.000 1.058 852 I HN 0.147 nan 8.210 nan 0.000 0.410 853 Y N 1.099 121.413 120.300 0.023 0.000 2.165 853 Y HA -0.300 -4.093 4.550 -13.904 0.000 0.286 853 Y C 2.575 178.473 175.900 -0.002 0.000 1.155 853 Y CA 1.582 59.694 58.100 0.021 0.000 1.164 853 Y CB -0.534 37.931 38.460 0.009 0.000 0.978 853 Y HN 0.038 nan 8.280 nan 0.000 0.513 854 K N 0.160 120.636 120.400 0.126 0.000 2.025 854 K HA -0.156 -4.178 4.320 -13.904 0.000 0.207 854 K C 2.033 178.613 176.600 -0.034 0.000 1.049 854 K CA 1.389 57.702 56.287 0.043 0.000 0.933 854 K CB -0.354 32.173 32.500 0.045 0.000 0.714 854 K HN 0.168 nan 8.250 nan 0.000 0.438 855 Q N 0.206 119.907 119.800 -0.164 0.000 2.062 855 Q HA -0.195 -4.197 4.340 -13.904 0.000 0.209 855 Q C 2.257 178.213 176.000 -0.074 0.000 0.996 855 Q CA 2.107 57.795 55.803 -0.193 0.000 0.859 855 Q CB -0.327 28.196 28.738 -0.358 0.000 0.920 855 Q HN 0.427 nan 8.270 nan 0.000 0.415 856 I N -0.286 120.274 120.570 -0.017 0.000 2.163 856 I HA -0.173 -4.345 4.170 -13.904 0.000 0.240 856 I C 2.431 178.536 176.117 -0.021 0.000 1.081 856 I CA 1.150 62.458 61.300 0.012 0.000 1.353 856 I CB -0.748 37.314 38.000 0.103 0.000 1.054 856 I HN 0.223 nan 8.210 nan 0.000 0.407 857 G N 0.428 109.258 108.800 0.050 0.000 2.442 857 G HA2 -0.265 -4.647 3.960 -13.904 0.000 0.219 857 G HA3 -0.265 -4.647 3.960 -13.904 0.000 0.219 857 G C 1.248 176.118 174.900 -0.050 0.000 1.141 857 G CA 0.947 46.051 45.100 0.008 0.000 0.763 857 G HN 0.276 nan 8.290 nan 0.000 0.554 858 D N 0.300 120.685 120.400 -0.025 0.000 2.228 858 D HA -0.058 -3.760 4.640 -13.904 0.000 0.203 858 D C 2.415 178.686 176.300 -0.049 0.000 0.988 858 D CA 0.877 54.861 54.000 -0.026 0.000 0.864 858 D CB 0.039 40.825 40.800 -0.023 0.000 0.928 858 D HN 0.345 nan 8.370 nan 0.000 0.469 859 K N -0.611 119.739 120.400 -0.083 0.000 2.244 859 K HA 0.184 -3.839 4.320 -13.904 0.000 0.200 859 K C 1.722 178.223 176.600 -0.164 0.000 1.052 859 K CA 0.191 56.419 56.287 -0.098 0.000 0.980 859 K CB 0.639 33.085 32.500 -0.090 0.000 0.838 859 K HN 0.148 nan 8.250 nan 0.000 0.481 860 L N 0.874 121.918 121.223 -0.298 0.000 2.693 860 L HA 0.110 -3.893 4.340 -13.904 0.000 0.235 860 L C 1.194 177.602 176.870 -0.770 0.000 1.127 860 L CA -0.145 54.363 54.840 -0.554 0.000 0.914 860 L CB -0.013 41.586 42.059 -0.767 0.000 1.193 860 L HN 0.033 nan 8.230 nan 0.000 0.502 861 N N 0.997 119.434 118.700 -0.438 0.000 2.104 861 N HA -0.194 -3.796 4.740 -13.904 0.000 0.190 861 N C 1.285 176.681 175.510 -0.190 0.000 1.024 861 N CA 1.493 54.385 53.050 -0.264 0.000 0.853 861 N CB -0.049 38.454 38.487 0.027 0.000 1.008 861 N HN 0.264 nan 8.380 nan 0.000 0.424 862 D N 0.023 120.410 120.400 -0.023 0.000 2.117 862 D HA -0.075 -3.777 4.640 -13.904 0.000 0.197 862 D C 2.057 178.386 176.300 0.049 0.000 0.987 862 D CA 0.523 54.576 54.000 0.089 0.000 0.829 862 D CB -0.312 40.554 40.800 0.109 0.000 0.961 862 D HN 0.031 nan 8.370 nan 0.000 0.460 863 V N 0.895 120.780 119.914 -0.048 0.000 2.343 863 V HA -0.257 -4.479 4.120 -13.904 0.000 0.247 863 V C 2.191 178.345 176.094 0.100 0.000 1.051 863 V CA 1.292 63.586 62.300 -0.011 0.000 1.036 863 V CB -0.646 31.134 31.823 -0.071 0.000 0.654 863 V HN 0.146 nan 8.190 nan 0.000 0.451 864 Y N -0.781 119.498 120.300 -0.036 0.000 2.181 864 Y HA -0.238 -4.030 4.550 -13.903 0.000 0.288 864 Y C 2.450 178.320 175.900 -0.050 0.000 1.146 864 Y CA 1.321 59.386 58.100 -0.058 0.000 1.164 864 Y CB -1.313 37.083 38.460 -0.106 0.000 0.982 864 Y HN 0.366 nan 8.280 nan 0.000 0.515 865 Y N 0.994 121.248 120.300 -0.077 0.000 2.200 865 Y HA -0.189 -3.981 4.550 -13.904 0.000 0.290 865 Y C 2.548 178.490 175.900 0.070 0.000 1.137 865 Y CA 2.018 60.048 58.100 -0.116 0.000 1.163 865 Y CB -0.316 37.920 38.460 -0.373 0.000 0.988 865 Y HN 0.055 nan 8.280 nan 0.000 0.518 866 K N -0.203 120.215 120.400 0.031 0.000 2.026 866 K HA -0.206 -4.228 4.320 -13.904 0.000 0.208 866 K C 2.092 178.656 176.600 -0.060 0.000 1.048 866 K CA 1.956 58.229 56.287 -0.024 0.000 0.929 866 K CB -0.225 32.304 32.500 0.049 0.000 0.713 866 K HN 0.357 nan 8.250 nan 0.000 0.439 867 M N -0.343 119.259 119.600 0.003 0.000 2.099 867 M HA -0.121 -3.983 4.480 -13.904 0.000 0.262 867 M C 2.028 178.312 176.300 -0.026 0.000 1.067 867 M CA 1.470 56.769 55.300 -0.002 0.000 1.124 867 M CB -0.335 32.292 32.600 0.045 0.000 1.353 867 M HN 0.190 nan 8.290 nan 0.000 0.410 868 F N 1.618 121.473 119.950 -0.158 0.000 2.091 868 F HA -0.288 -4.103 4.527 -13.904 0.000 0.299 868 F C 2.179 177.855 175.800 -0.208 0.000 1.103 868 F CA 1.702 59.592 58.000 -0.183 0.000 1.228 868 F CB -0.139 38.739 39.000 -0.203 0.000 0.984 868 F HN -0.073 nan 8.300 nan 0.000 0.477 869 K N 0.331 120.549 120.400 -0.305 0.000 2.103 869 K HA -0.070 -4.092 4.320 -13.904 0.000 0.204 869 K C 2.370 178.818 176.600 -0.253 0.000 1.052 869 K CA 1.366 57.441 56.287 -0.353 0.000 0.945 869 K CB -1.026 31.271 32.500 -0.338 0.000 0.722 869 K HN 0.475 nan 8.250 nan 0.000 0.443 870 S N 0.791 116.381 115.700 -0.183 0.000 2.436 870 S HA 0.008 -3.864 4.470 -13.904 0.000 0.228 870 S C 2.049 176.571 174.600 -0.131 0.000 1.014 870 S CA 0.403 58.526 58.200 -0.128 0.000 0.950 870 S CB -0.368 62.780 63.200 -0.086 0.000 0.784 870 S HN 0.156 nan 8.310 nan 0.000 0.504 871 L N 1.188 122.314 121.223 -0.162 0.000 2.395 871 L HA 0.144 -3.858 4.340 -13.904 0.000 0.218 871 L C 2.747 179.514 176.870 -0.172 0.000 1.130 871 L CA 0.844 55.596 54.840 -0.147 0.000 0.826 871 L CB -0.456 41.523 42.059 -0.133 0.000 0.941 871 L HN 0.416 nan 8.230 nan 0.000 0.451 872 E N 0.939 120.997 120.200 -0.236 0.000 2.065 872 E HA -0.334 -4.326 4.350 -13.904 0.000 0.201 872 E C 2.239 178.767 176.600 -0.120 0.000 1.016 872 E CA 1.696 57.966 56.400 -0.217 0.000 0.818 872 E CB -0.013 29.541 29.700 -0.243 0.000 0.749 872 E HN 0.489 nan 8.360 nan 0.000 0.453 873 A N 1.050 123.810 122.820 -0.099 0.000 1.873 873 A HA -0.265 -4.288 4.320 -13.904 0.000 0.218 873 A C 2.080 179.634 177.584 -0.049 0.000 1.193 873 A CA 2.182 54.180 52.037 -0.065 0.000 0.629 873 A CB -0.470 18.494 19.000 -0.059 0.000 0.826 873 A HN 0.196 nan 8.150 nan 0.000 0.447 874 K N -0.799 119.569 120.400 -0.054 0.000 2.116 874 K HA 0.121 -3.901 4.320 -13.904 0.000 0.203 874 K C 2.347 178.919 176.600 -0.048 0.000 1.052 874 K CA 0.835 57.099 56.287 -0.038 0.000 0.952 874 K CB -0.253 32.226 32.500 -0.035 0.000 0.729 874 K HN 0.428 nan 8.250 nan 0.000 0.446 875 A N 1.796 124.572 122.820 -0.074 0.000 1.902 875 A HA -0.167 -4.189 4.320 -13.904 0.000 0.217 875 A C 1.224 178.737 177.584 -0.119 0.000 1.181 875 A CA 1.833 53.808 52.037 -0.103 0.000 0.623 875 A CB -0.187 18.748 19.000 -0.109 0.000 0.818 875 A HN 0.144 nan 8.150 nan 0.000 0.443 876 D N -0.241 120.132 120.400 -0.046 0.000 2.363 876 D HA 0.106 -3.596 4.640 -13.904 0.000 0.214 876 D C -0.183 176.218 176.300 0.168 0.000 1.093 876 D CA -0.146 53.898 54.000 0.074 0.000 0.837 876 D CB -0.212 40.634 40.800 0.076 0.000 0.948 876 D HN 0.387 nan 8.370 nan 0.000 0.507 877 D N 0.608 121.053 120.400 0.074 0.000 2.658 877 D HA -0.115 -3.817 4.640 -13.904 0.000 0.230 877 D C 0.845 177.232 176.300 0.143 0.000 1.118 877 D CA 0.448 54.486 54.000 0.065 0.000 0.848 877 D CB 0.653 41.475 40.800 0.036 0.000 1.160 877 D HN 0.092 nan 8.370 nan 0.000 0.497 878 L N 3.212 124.463 121.223 0.048 0.000 2.640 878 L HA 0.046 -3.956 4.340 -13.904 0.000 0.230 878 L C 2.140 178.994 176.870 -0.027 0.000 1.123 878 L CA -0.129 54.729 54.840 0.029 0.000 0.900 878 L CB -0.060 41.914 42.059 -0.141 0.000 1.146 878 L HN 0.426 nan 8.230 nan 0.000 0.484 879 T N -0.321 114.148 114.554 -0.142 0.000 2.685 879 T HA -0.238 -4.231 4.350 -13.904 0.000 0.268 879 T C 0.905 175.289 174.700 -0.525 0.000 1.034 879 T CA 1.941 63.790 62.100 -0.418 0.000 1.149 879 T CB -0.269 68.203 68.868 -0.660 0.000 0.860 879 T HN 0.308 nan 8.240 nan 0.000 0.449 880 Y N -0.978 119.285 120.300 -0.062 0.000 2.636 880 Y HA 0.421 -3.370 4.550 -13.903 0.000 0.260 880 Y C 1.228 177.129 175.900 0.002 0.000 1.177 880 Y CA -1.654 56.372 58.100 -0.123 0.000 1.209 880 Y CB -0.424 37.775 38.460 -0.434 0.000 1.166 880 Y HN 0.116 nan 8.280 nan 0.000 0.531 881 F N 1.492 121.453 119.950 0.018 0.000 2.161 881 F HA -0.243 -4.058 4.527 -13.903 0.000 0.300 881 F C 1.145 176.939 175.800 -0.010 0.000 1.089 881 F CA 1.954 59.950 58.000 -0.007 0.000 1.282 881 F CB -0.131 38.808 39.000 -0.103 0.000 1.010 881 F HN 0.070 nan 8.300 nan 0.000 0.485 882 N N -0.580 118.187 118.700 0.111 0.000 2.314 882 N HA -0.041 -3.643 4.740 -13.904 0.000 0.200 882 N C -0.640 174.882 175.510 0.021 0.000 1.135 882 N CA -0.065 53.006 53.050 0.035 0.000 0.835 882 N CB -0.011 38.524 38.487 0.079 0.000 0.989 882 N HN 0.085 nan 8.380 nan 0.000 0.478 883 D N 1.042 121.469 120.400 0.044 0.000 2.396 883 D HA 0.061 -3.641 4.640 -13.904 0.000 0.225 883 D C 0.457 176.772 176.300 0.025 0.000 1.121 883 D CA -0.009 54.031 54.000 0.067 0.000 0.853 883 D CB 0.808 41.696 40.800 0.147 0.000 1.043 883 D HN 0.194 nan 8.370 nan 0.000 0.500 884 E N 1.025 121.239 120.200 0.023 0.000 2.268 884 E HA -0.072 -4.064 4.350 -13.904 0.000 0.195 884 E C 1.089 177.735 176.600 0.078 0.000 0.995 884 E CA 0.653 57.070 56.400 0.029 0.000 0.836 884 E CB 0.352 30.081 29.700 0.047 0.000 0.763 884 E HN 0.256 nan 8.360 nan 0.000 0.491 885 S N -0.581 115.176 115.700 0.096 0.000 2.524 885 S HA -0.001 -3.873 4.470 -13.904 0.000 0.215 885 S C 0.185 174.827 174.600 0.070 0.000 0.986 885 S CA -0.268 58.031 58.200 0.164 0.000 0.911 885 S CB 0.103 63.398 63.200 0.158 0.000 0.805 885 S HN 0.274 nan 8.310 nan 0.000 0.501 886 H N 1.691 120.691 119.070 -0.116 0.000 2.934 886 H HA 0.462 -3.324 4.556 -13.903 0.000 0.273 886 H C -1.072 174.029 175.328 -0.378 0.000 1.121 886 H CA 0.087 55.998 56.048 -0.228 0.000 1.451 886 H CB 0.172 29.764 29.762 -0.284 0.000 1.469 886 H HN -0.097 nan 8.280 nan 0.000 0.476 887 V N 5.717 125.228 119.914 -0.673 0.000 2.483 887 V HA 0.150 -4.072 4.120 -13.904 0.000 0.297 887 V C -0.530 175.145 176.094 -0.698 0.000 1.027 887 V CA -0.836 60.959 62.300 -0.841 0.000 0.855 887 V CB 1.609 32.666 31.823 -1.276 0.000 0.995 887 V HN 0.795 nan 8.190 nan 0.000 0.424 888 D N 3.570 123.595 120.400 -0.625 0.000 2.461 888 D HA 0.373 -3.329 4.640 -13.904 0.000 0.240 888 D C 0.466 176.552 176.300 -0.356 0.000 1.094 888 D CA -0.449 53.332 54.000 -0.365 0.000 0.868 888 D CB 1.102 41.785 40.800 -0.195 0.000 1.062 888 D HN 0.302 nan 8.370 nan 0.000 0.530 889 F N 1.223 121.079 119.950 -0.157 0.000 2.234 889 F HA -0.086 -3.899 4.527 -13.901 0.000 0.299 889 F C 1.993 177.747 175.800 -0.077 0.000 1.087 889 F CA 0.637 58.572 58.000 -0.108 0.000 1.340 889 F CB 0.162 39.118 39.000 -0.073 0.000 1.031 889 F HN 0.310 nan 8.300 nan 0.000 0.500 890 D N -0.098 120.356 120.400 0.090 0.000 2.097 890 D HA -0.217 -3.919 4.640 -13.904 0.000 0.195 890 D C 2.180 178.474 176.300 -0.010 0.000 0.989 890 D CA 1.134 55.160 54.000 0.043 0.000 0.827 890 D CB -0.640 40.180 40.800 0.034 0.000 0.966 890 D HN 0.339 nan 8.370 nan 0.000 0.456 891 Q N -0.088 119.680 119.800 -0.053 0.000 2.096 891 Q HA -0.148 -4.150 4.340 -13.904 0.000 0.204 891 Q C 2.235 178.148 176.000 -0.144 0.000 0.982 891 Q CA 1.195 56.941 55.803 -0.096 0.000 0.850 891 Q CB -0.031 28.643 28.738 -0.107 0.000 0.901 891 Q HN 0.258 nan 8.270 nan 0.000 0.422 892 M N 0.180 119.674 119.600 -0.176 0.000 2.117 892 M HA -0.163 -4.025 4.480 -13.904 0.000 0.262 892 M C 1.689 177.941 176.300 -0.080 0.000 1.065 892 M CA 1.085 56.278 55.300 -0.177 0.000 1.114 892 M CB -0.273 32.192 32.600 -0.225 0.000 1.361 892 M HN 0.206 nan 8.290 nan 0.000 0.408 893 N N 0.404 119.091 118.700 -0.021 0.000 2.223 893 N HA -0.076 -3.678 4.740 -13.904 0.000 0.185 893 N C 1.560 177.057 175.510 -0.021 0.000 1.016 893 N CA 1.258 54.311 53.050 0.004 0.000 0.863 893 N CB -0.241 38.276 38.487 0.049 0.000 0.983 893 N HN 0.414 nan 8.380 nan 0.000 0.429 894 M N 0.146 119.723 119.600 -0.038 0.000 2.175 894 M HA -0.061 -3.923 4.480 -13.904 0.000 0.264 894 M C 1.973 178.237 176.300 -0.060 0.000 1.063 894 M CA 1.219 56.491 55.300 -0.047 0.000 1.119 894 M CB -0.079 32.487 32.600 -0.057 0.000 1.377 894 M HN 0.064 nan 8.290 nan 0.000 0.415 895 R N -0.595 119.855 120.500 -0.084 0.000 2.092 895 R HA -0.073 -4.075 4.340 -13.904 0.000 0.231 895 R C 2.181 178.464 176.300 -0.028 0.000 1.119 895 R CA 1.659 57.718 56.100 -0.070 0.000 0.970 895 R CB -0.728 29.487 30.300 -0.142 0.000 0.864 895 R HN 0.358 nan 8.270 nan 0.000 0.440 896 T N 1.997 116.526 114.554 -0.042 0.000 2.684 896 T HA -0.155 -4.147 4.350 -13.904 0.000 0.267 896 T C 1.744 176.414 174.700 -0.050 0.000 1.036 896 T CA 1.238 63.312 62.100 -0.043 0.000 1.148 896 T CB -0.245 68.591 68.868 -0.054 0.000 0.863 896 T HN 0.075 nan 8.240 nan 0.000 0.436 897 L N 1.233 122.427 121.223 -0.048 0.000 2.017 897 L HA -0.023 -4.026 4.340 -13.904 0.000 0.208 897 L C 2.483 179.340 176.870 -0.023 0.000 1.073 897 L CA 1.730 56.539 54.840 -0.052 0.000 0.745 897 L CB -0.512 41.525 42.059 -0.038 0.000 0.894 897 L HN 0.082 nan 8.230 nan 0.000 0.432 898 R N -0.505 120.005 120.500 0.017 0.000 2.091 898 R HA -0.155 -4.157 4.340 -13.904 0.000 0.238 898 R C 2.012 178.415 176.300 0.171 0.000 1.136 898 R CA 1.584 57.757 56.100 0.121 0.000 0.959 898 R CB -0.533 29.792 30.300 0.042 0.000 0.856 898 R HN 0.510 nan 8.270 nan 0.000 0.437 899 N N -0.313 118.443 118.700 0.094 0.000 2.270 899 N HA -0.082 -3.684 4.740 -13.904 0.000 0.181 899 N C 1.643 177.137 175.510 -0.026 0.000 1.016 899 N CA 1.359 54.447 53.050 0.064 0.000 0.870 899 N CB -0.315 38.227 38.487 0.092 0.000 0.979 899 N HN 0.177 nan 8.380 nan 0.000 0.431 900 T N 1.830 116.347 114.554 -0.061 0.000 2.708 900 T HA -0.061 -4.053 4.350 -13.904 0.000 0.266 900 T C 1.934 176.524 174.700 -0.183 0.000 1.037 900 T CA 0.647 62.673 62.100 -0.123 0.000 1.146 900 T CB -0.167 68.616 68.868 -0.141 0.000 0.865 900 T HN 0.007 nan 8.240 nan 0.000 0.435 901 L N 0.626 121.739 121.223 -0.184 0.000 2.046 901 L HA 0.026 -3.976 4.340 -13.904 0.000 0.208 901 L C 2.279 178.993 176.870 -0.259 0.000 1.077 901 L CA 1.224 55.908 54.840 -0.260 0.000 0.747 901 L CB -1.276 40.704 42.059 -0.132 0.000 0.896 901 L HN 0.210 nan 8.230 nan 0.000 0.432 902 L N -1.252 119.811 121.223 -0.265 0.000 2.046 902 L HA -0.190 -4.193 4.340 -13.904 0.000 0.208 902 L C 2.746 179.492 176.870 -0.207 0.000 1.077 902 L CA 1.909 56.506 54.840 -0.405 0.000 0.747 902 L CB -0.890 40.905 42.059 -0.440 0.000 0.896 902 L HN 0.308 nan 8.230 nan 0.000 0.432 903 S N -0.893 114.727 115.700 -0.133 0.000 2.359 903 S HA -0.202 -4.074 4.470 -13.904 0.000 0.224 903 S C 2.041 176.559 174.600 -0.137 0.000 1.035 903 S CA 1.821 59.974 58.200 -0.080 0.000 1.018 903 S CB -0.420 62.731 63.200 -0.081 0.000 0.876 903 S HN 0.494 nan 8.310 nan 0.000 0.448 904 L N 0.677 121.784 121.223 -0.193 0.000 2.046 904 L HA -0.074 -4.076 4.340 -13.904 0.000 0.208 904 L C 2.441 179.252 176.870 -0.100 0.000 1.077 904 L CA 1.078 55.807 54.840 -0.185 0.000 0.747 904 L CB -0.503 41.432 42.059 -0.206 0.000 0.896 904 L HN 0.336 nan 8.230 nan 0.000 0.432 905 L N -1.177 119.986 121.223 -0.101 0.000 2.109 905 L HA -0.133 -4.136 4.340 -13.904 0.000 0.207 905 L C 2.666 179.546 176.870 0.016 0.000 1.086 905 L CA 0.857 55.662 54.840 -0.058 0.000 0.760 905 L CB -0.378 41.574 42.059 -0.177 0.000 0.910 905 L HN 0.170 nan 8.230 nan 0.000 0.437 906 S N -0.253 115.452 115.700 0.008 0.000 2.368 906 S HA -0.131 -4.004 4.470 -13.904 0.000 0.224 906 S C 1.901 176.406 174.600 -0.158 0.000 1.029 906 S CA 1.008 59.300 58.200 0.154 0.000 0.988 906 S CB -0.095 63.294 63.200 0.315 0.000 0.838 906 S HN 0.345 nan 8.310 nan 0.000 0.462 907 K N 1.638 121.800 120.400 -0.398 0.000 2.097 907 K HA 0.000 -4.022 4.320 -13.904 0.000 0.206 907 K C 2.217 178.579 176.600 -0.397 0.000 1.049 907 K CA 1.252 57.098 56.287 -0.735 0.000 0.933 907 K CB -0.300 31.867 32.500 -0.554 0.000 0.717 907 K HN 0.347 nan 8.250 nan 0.000 0.442 908 A N 0.836 123.549 122.820 -0.178 0.000 2.168 908 A HA -0.110 -4.132 4.320 -13.904 0.000 0.215 908 A C 0.374 177.947 177.584 -0.017 0.000 1.152 908 A CA 0.558 52.561 52.037 -0.057 0.000 0.716 908 A CB -0.007 19.017 19.000 0.040 0.000 0.794 908 A HN 0.311 nan 8.150 nan 0.000 0.465 909 Q N -2.527 117.268 119.800 -0.009 0.000 2.487 909 Q HA -0.234 -4.236 4.340 -13.904 0.000 0.279 909 Q C -0.502 175.576 176.000 0.129 0.000 1.228 909 Q CA 0.706 56.552 55.803 0.072 0.000 0.873 909 Q CB -2.557 26.160 28.738 -0.034 0.000 1.260 909 Q HN 0.770 nan 8.270 nan 0.000 0.471 910 Y N 1.623 121.933 120.300 0.017 0.000 2.811 910 Y HA 0.027 -3.765 4.550 -13.903 0.000 0.334 910 Y C -1.562 174.313 175.900 -0.041 0.000 1.247 910 Y CA -0.836 57.245 58.100 -0.033 0.000 1.526 910 Y CB 0.462 38.888 38.460 -0.057 0.000 1.284 910 Y HN 0.039 nan 8.280 nan 0.000 0.586 911 P HA -0.074 nan 4.420 nan 0.000 0.258 911 P C -0.561 176.606 177.300 -0.223 0.000 1.172 911 P CA 1.307 64.193 63.100 -0.357 0.000 0.762 911 P CB 0.105 31.506 31.700 -0.499 0.000 0.764 912 N N 0.771 119.415 118.700 -0.093 0.000 2.753 912 N HA -0.253 -3.855 4.740 -13.904 0.000 0.251 912 N C 0.710 176.199 175.510 -0.035 0.000 1.097 912 N CA 0.281 53.297 53.050 -0.057 0.000 0.786 912 N CB -1.854 36.596 38.487 -0.061 0.000 1.137 912 N HN 0.357 nan 8.380 nan 0.000 0.566 913 I N 0.243 120.812 120.570 -0.003 0.000 2.567 913 I HA -0.105 -4.277 4.170 -13.904 0.000 0.257 913 I C 1.832 177.839 176.117 -0.182 0.000 1.184 913 I CA 0.985 62.284 61.300 -0.003 0.000 1.451 913 I CB -0.071 37.988 38.000 0.099 0.000 1.089 913 I HN 0.406 nan 8.210 nan 0.000 0.441 914 L N 0.415 121.401 121.223 -0.395 0.000 2.191 914 L HA -0.218 -4.220 4.340 -13.904 0.000 0.212 914 L C 2.008 178.751 176.870 -0.212 0.000 1.103 914 L CA 1.843 56.352 54.840 -0.552 0.000 0.769 914 L CB -1.140 40.505 42.059 -0.690 0.000 0.908 914 L HN 0.358 nan 8.230 nan 0.000 0.438 915 N N -0.837 117.803 118.700 -0.100 0.000 2.120 915 N HA -0.223 -3.825 4.740 -13.904 0.000 0.188 915 N C 1.604 177.141 175.510 0.046 0.000 1.024 915 N CA 1.346 54.391 53.050 -0.009 0.000 0.852 915 N CB -0.052 38.449 38.487 0.024 0.000 1.003 915 N HN 0.368 nan 8.380 nan 0.000 0.424 916 E N 0.809 121.052 120.200 0.071 0.000 2.072 916 E HA -0.045 -4.037 4.350 -13.904 0.000 0.191 916 E C 1.868 178.548 176.600 0.133 0.000 0.985 916 E CA 0.601 57.094 56.400 0.154 0.000 0.801 916 E CB -0.024 29.781 29.700 0.175 0.000 0.750 916 E HN 0.341 nan 8.360 nan 0.000 0.452 917 I N 0.450 121.033 120.570 0.023 0.000 2.127 917 I HA -0.278 -4.450 4.170 -13.904 0.000 0.241 917 I C 1.792 177.985 176.117 0.126 0.000 1.075 917 I CA 0.716 62.049 61.300 0.055 0.000 1.334 917 I CB -0.299 37.669 38.000 -0.053 0.000 1.040 917 I HN 0.162 nan 8.210 nan 0.000 0.405 918 I N 0.492 121.100 120.570 0.063 0.000 2.286 918 I HA -0.226 -4.399 4.170 -13.904 0.000 0.248 918 I C 2.560 178.740 176.117 0.104 0.000 1.115 918 I CA 1.537 62.881 61.300 0.072 0.000 1.392 918 I CB -1.326 36.693 38.000 0.031 0.000 1.065 918 I HN 0.290 nan 8.210 nan 0.000 0.418 919 E N -0.434 119.842 120.200 0.126 0.000 2.150 919 E HA -0.226 -4.218 4.350 -13.904 0.000 0.193 919 E C 2.146 178.861 176.600 0.191 0.000 0.985 919 E CA 0.943 57.425 56.400 0.135 0.000 0.814 919 E CB -0.459 29.323 29.700 0.137 0.000 0.752 919 E HN 0.534 nan 8.360 nan 0.000 0.466 920 H N 0.713 119.867 119.070 0.140 0.000 2.423 920 H HA -0.040 -3.826 4.556 -13.904 0.000 0.297 920 H C 2.102 177.544 175.328 0.190 0.000 1.075 920 H CA 1.702 57.856 56.048 0.176 0.000 1.342 920 H CB 0.024 29.917 29.762 0.218 0.000 1.395 920 H HN 0.101 nan 8.280 nan 0.000 0.530 921 S N -0.357 115.477 115.700 0.223 0.000 2.474 921 S HA -0.090 -3.962 4.470 -13.904 0.000 0.235 921 S C 1.582 176.237 174.600 0.091 0.000 0.997 921 S CA 0.853 59.165 58.200 0.187 0.000 0.949 921 S CB -0.045 63.246 63.200 0.151 0.000 0.766 921 S HN 0.405 nan 8.310 nan 0.000 0.517 922 K N 1.448 121.881 120.400 0.055 0.000 2.404 922 K HA 0.257 -3.765 4.320 -13.904 0.000 0.194 922 K C 0.635 177.222 176.600 -0.022 0.000 1.023 922 K CA -0.034 56.245 56.287 -0.013 0.000 1.094 922 K CB 0.294 32.787 32.500 -0.012 0.000 0.841 922 K HN 0.306 nan 8.250 nan 0.000 0.523 923 S N 1.788 117.504 115.700 0.026 0.000 2.560 923 S HA 0.064 -3.808 4.470 -13.904 0.000 0.284 923 S C -1.753 172.894 174.600 0.079 0.000 1.327 923 S CA -1.345 56.870 58.200 0.023 0.000 1.055 923 S CB 0.673 63.870 63.200 -0.005 0.000 0.868 923 S HN -0.043 nan 8.310 nan 0.000 0.506 924 P HA 0.038 nan 4.420 nan 0.000 0.226 924 P C -0.743 176.580 177.300 0.039 0.000 1.153 924 P CA 0.789 63.759 63.100 -0.218 0.000 0.777 924 P CB -0.027 31.180 31.700 -0.823 0.000 0.794 925 Y N -0.456 119.969 120.300 0.209 0.000 2.365 925 Y HA 0.188 -3.604 4.550 -13.903 0.000 0.340 925 Y C -1.207 174.618 175.900 -0.124 0.000 1.016 925 Y CA -2.426 55.765 58.100 0.152 0.000 1.196 925 Y CB -0.021 38.468 38.460 0.048 0.000 1.167 925 Y HN -0.017 nan 8.280 nan 0.000 0.509 926 P HA -0.191 nan 4.420 nan 0.000 0.216 926 P C 1.488 178.361 177.300 -0.711 0.000 1.150 926 P CA 1.857 64.311 63.100 -1.076 0.000 0.843 926 P CB 0.339 31.701 31.700 -0.564 0.000 0.787 927 S N -0.856 114.684 115.700 -0.267 0.000 2.387 927 S HA -0.168 -4.040 4.470 -13.904 0.000 0.230 927 S C 1.720 176.253 174.600 -0.111 0.000 1.035 927 S CA 1.423 59.531 58.200 -0.153 0.000 1.014 927 S CB -0.890 62.266 63.200 -0.073 0.000 0.836 927 S HN 0.239 nan 8.310 nan 0.000 0.466 928 N N 1.118 119.746 118.700 -0.119 0.000 2.148 928 N HA -0.027 -3.629 4.740 -13.904 0.000 0.186 928 N C 1.651 177.118 175.510 -0.071 0.000 1.031 928 N CA 1.361 54.310 53.050 -0.169 0.000 0.848 928 N CB -0.560 37.678 38.487 -0.415 0.000 1.005 928 N HN 0.730 nan 8.380 nan 0.000 0.427 929 W N 1.094 122.374 121.300 -0.032 0.000 2.467 929 W HA 0.131 -3.551 4.660 -13.902 0.000 0.275 929 W C 1.173 177.748 176.519 0.093 0.000 1.239 929 W CA 0.104 57.465 57.345 0.028 0.000 1.266 929 W CB -0.903 28.568 29.460 0.017 0.000 1.112 929 W HN -0.044 nan 8.180 nan 0.000 0.576 930 L N 1.338 122.512 121.223 -0.081 0.000 2.156 930 L HA -0.113 -4.116 4.340 -13.904 0.000 0.208 930 L C 2.706 179.611 176.870 0.058 0.000 1.095 930 L CA 1.671 56.501 54.840 -0.017 0.000 0.770 930 L CB -1.035 40.884 42.059 -0.234 0.000 0.914 930 L HN -0.105 nan 8.230 nan 0.000 0.439 931 T N -0.669 113.926 114.554 0.068 0.000 2.746 931 T HA -0.192 -4.184 4.350 -13.904 0.000 0.267 931 T C 2.133 176.955 174.700 0.203 0.000 1.039 931 T CA 1.699 63.878 62.100 0.132 0.000 1.142 931 T CB -0.201 68.776 68.868 0.181 0.000 0.866 931 T HN 0.534 nan 8.240 nan 0.000 0.444 932 S N 1.617 117.492 115.700 0.293 0.000 2.382 932 S HA -0.097 -3.969 4.470 -13.904 0.000 0.228 932 S C 2.046 176.780 174.600 0.223 0.000 1.027 932 S CA 0.987 59.360 58.200 0.289 0.000 0.991 932 S CB -0.638 62.760 63.200 0.330 0.000 0.823 932 S HN 0.319 nan 8.310 nan 0.000 0.469 933 L N 2.992 124.343 121.223 0.213 0.000 1.976 933 L HA -0.052 -4.054 4.340 -13.904 0.000 0.209 933 L C 2.688 179.677 176.870 0.198 0.000 1.071 933 L CA 2.609 57.551 54.840 0.171 0.000 0.746 933 L CB -1.464 40.682 42.059 0.145 0.000 0.890 933 L HN 0.582 nan 8.230 nan 0.000 0.432 934 S N -0.556 115.228 115.700 0.139 0.000 2.370 934 S HA -0.196 -4.069 4.470 -13.904 0.000 0.226 934 S C 2.027 176.672 174.600 0.075 0.000 1.033 934 S CA 1.781 60.036 58.200 0.091 0.000 1.011 934 S CB -1.836 61.381 63.200 0.028 0.000 0.852 934 S HN 0.511 nan 8.310 nan 0.000 0.457 935 V N 1.458 121.457 119.914 0.141 0.000 2.809 935 V HA -0.001 -4.223 4.120 -13.904 0.000 0.256 935 V C 2.450 178.741 176.094 0.329 0.000 1.080 935 V CA 1.610 64.043 62.300 0.221 0.000 1.102 935 V CB -1.359 30.576 31.823 0.187 0.000 0.705 935 V HN 0.712 nan 8.190 nan 0.000 0.475 936 S N 1.143 117.021 115.700 0.298 0.000 2.515 936 S HA 0.124 -3.748 4.470 -13.904 0.000 0.231 936 S C 2.047 176.834 174.600 0.313 0.000 0.987 936 S CA 0.924 59.365 58.200 0.403 0.000 0.936 936 S CB -0.459 62.925 63.200 0.307 0.000 0.766 936 S HN 1.108 nan 8.310 nan 0.000 0.528 937 A N 0.991 123.805 122.820 -0.011 0.000 1.997 937 A HA -0.121 -4.143 4.320 -13.904 0.000 0.221 937 A C 1.619 178.864 177.584 -0.565 0.000 1.172 937 A CA 1.541 53.222 52.037 -0.593 0.000 0.645 937 A CB -1.067 17.403 19.000 -0.884 0.000 0.813 937 A HN 0.729 nan 8.150 nan 0.000 0.454 938 Y N -2.304 117.906 120.300 -0.150 0.000 2.490 938 Y HA 0.398 -3.394 4.550 -13.904 0.000 0.281 938 Y C -0.068 175.422 175.900 -0.684 0.000 1.174 938 Y CA -0.415 57.433 58.100 -0.422 0.000 1.295 938 Y CB -0.255 37.882 38.460 -0.539 0.000 1.062 938 Y HN 0.219 nan 8.280 nan 0.000 0.522 939 F N -0.593 119.411 119.950 0.090 0.000 2.593 939 F HA 0.255 -3.560 4.527 -13.904 0.000 0.320 939 F C 0.756 176.605 175.800 0.082 0.000 1.060 939 F CA -1.837 56.218 58.000 0.092 0.000 0.940 939 F CB 1.036 40.099 39.000 0.105 0.000 1.268 939 F HN -0.145 nan 8.300 nan 0.000 0.475 940 D N -0.934 119.635 120.400 0.283 0.000 2.392 940 D HA -0.087 -3.789 4.640 -13.904 0.000 0.228 940 D C 0.779 177.207 176.300 0.214 0.000 1.003 940 D CA 1.023 55.144 54.000 0.203 0.000 0.917 940 D CB -0.267 40.630 40.800 0.162 0.000 0.890 940 D HN 0.453 nan 8.370 nan 0.000 0.532 941 K N -1.009 119.534 120.400 0.238 0.000 2.387 941 K HA 0.022 -4.000 4.320 -13.904 0.000 0.198 941 K C 0.724 177.439 176.600 0.191 0.000 1.022 941 K CA -0.344 56.057 56.287 0.189 0.000 1.128 941 K CB -0.041 32.542 32.500 0.138 0.000 0.853 941 K HN 0.119 nan 8.250 nan 0.000 0.523 942 Y N 0.490 120.824 120.300 0.058 0.000 2.128 942 Y HA -0.271 -4.064 4.550 -13.904 0.000 0.284 942 Y C 1.438 177.312 175.900 -0.043 0.000 1.154 942 Y CA 1.754 59.816 58.100 -0.064 0.000 1.149 942 Y CB -0.122 38.170 38.460 -0.280 0.000 0.976 942 Y HN -0.037 nan 8.280 nan 0.000 0.505 943 F N 0.616 120.594 119.950 0.046 0.000 2.325 943 F HA -0.042 -3.857 4.527 -13.903 0.000 0.299 943 F C 2.492 178.317 175.800 0.042 0.000 1.090 943 F CA 1.424 59.395 58.000 -0.049 0.000 1.392 943 F CB -0.709 38.270 39.000 -0.035 0.000 1.053 943 F HN 0.202 nan 8.300 nan 0.000 0.521 944 E N 0.635 120.962 120.200 0.212 0.000 2.085 944 E HA -0.204 -4.196 4.350 -13.904 0.000 0.194 944 E C 2.097 178.778 176.600 0.135 0.000 0.994 944 E CA 1.284 57.776 56.400 0.155 0.000 0.801 944 E CB -0.206 29.567 29.700 0.122 0.000 0.743 944 E HN 0.392 nan 8.360 nan 0.000 0.453 945 L N -0.060 121.223 121.223 0.099 0.000 2.240 945 L HA -0.086 -4.088 4.340 -13.904 0.000 0.211 945 L C 2.350 179.307 176.870 0.145 0.000 1.106 945 L CA 0.520 55.419 54.840 0.099 0.000 0.793 945 L CB -0.408 41.705 42.059 0.089 0.000 0.927 945 L HN 0.281 nan 8.230 nan 0.000 0.446 946 Y N 1.454 121.714 120.300 -0.067 0.000 2.097 946 Y HA -0.320 -4.112 4.550 -13.903 0.000 0.282 946 Y C 2.295 178.383 175.900 0.313 0.000 1.152 946 Y CA 1.984 60.142 58.100 0.097 0.000 1.136 946 Y CB 0.044 38.483 38.460 -0.035 0.000 0.975 946 Y HN 0.205 nan 8.280 nan 0.000 0.498 947 D N 0.133 120.796 120.400 0.440 0.000 2.097 947 D HA -0.179 -3.881 4.640 -13.904 0.000 0.197 947 D C 2.066 178.453 176.300 0.144 0.000 0.984 947 D CA 1.394 55.564 54.000 0.283 0.000 0.826 947 D CB -0.384 40.551 40.800 0.226 0.000 0.973 947 D HN 0.364 nan 8.370 nan 0.000 0.460 948 K N 0.377 120.840 120.400 0.105 0.000 2.032 948 K HA -0.150 -4.172 4.320 -13.904 0.000 0.209 948 K C 1.977 178.538 176.600 -0.064 0.000 1.048 948 K CA 1.994 58.286 56.287 0.008 0.000 0.927 948 K CB -0.113 32.392 32.500 0.009 0.000 0.712 948 K HN 0.252 nan 8.250 nan 0.000 0.441 949 T N -1.941 112.647 114.554 0.056 0.000 2.985 949 T HA -0.142 -4.134 4.350 -13.904 0.000 0.266 949 T C 1.898 176.527 174.700 -0.117 0.000 1.076 949 T CA 0.746 62.904 62.100 0.097 0.000 1.135 949 T CB -0.537 68.656 68.868 0.542 0.000 0.890 949 T HN 0.373 nan 8.240 nan 0.000 0.480 950 Y N 2.497 122.511 120.300 -0.476 0.000 2.145 950 Y HA -0.021 -3.813 4.550 -13.904 0.000 0.286 950 Y C 2.311 177.853 175.900 -0.598 0.000 1.145 950 Y CA 1.470 58.898 58.100 -1.120 0.000 1.148 950 Y CB -0.289 37.505 38.460 -1.110 0.000 0.981 950 Y HN 0.087 nan 8.280 nan 0.000 0.507 951 K N 0.024 120.190 120.400 -0.391 0.000 2.152 951 K HA -0.152 -4.174 4.320 -13.904 0.000 0.206 951 K C 1.973 178.339 176.600 -0.391 0.000 1.048 951 K CA 1.684 57.755 56.287 -0.361 0.000 0.933 951 K CB -0.282 32.124 32.500 -0.157 0.000 0.721 951 K HN 0.379 nan 8.250 nan 0.000 0.447 952 L N 0.171 121.144 121.223 -0.417 0.000 2.217 952 L HA -0.110 -4.112 4.340 -13.904 0.000 0.211 952 L C 1.914 178.622 176.870 -0.269 0.000 1.107 952 L CA 0.889 55.451 54.840 -0.464 0.000 0.783 952 L CB -0.028 41.458 42.059 -0.955 0.000 0.919 952 L HN 0.070 nan 8.230 nan 0.000 0.442 953 S N -0.520 115.018 115.700 -0.270 0.000 2.483 953 S HA -0.034 -3.906 4.470 -13.904 0.000 0.221 953 S C 1.755 176.199 174.600 -0.260 0.000 1.030 953 S CA 0.146 58.281 58.200 -0.109 0.000 0.925 953 S CB 0.172 63.347 63.200 -0.042 0.000 0.795 953 S HN 0.437 nan 8.310 nan 0.000 0.511 954 K N 1.551 121.626 120.400 -0.542 0.000 2.280 954 K HA -0.037 -4.059 4.320 -13.904 0.000 0.202 954 K C 0.268 176.723 176.600 -0.242 0.000 1.047 954 K CA 1.467 57.419 56.287 -0.558 0.000 0.942 954 K CB -0.146 31.797 32.500 -0.928 0.000 0.739 954 K HN 0.122 nan 8.250 nan 0.000 0.457 955 D N 0.888 121.192 120.400 -0.160 0.000 2.340 955 D HA 0.025 -3.677 4.640 -13.904 0.000 0.217 955 D C -0.548 175.779 176.300 0.045 0.000 1.081 955 D CA 0.351 54.315 54.000 -0.060 0.000 0.842 955 D CB 0.294 41.052 40.800 -0.071 0.000 0.934 955 D HN 0.285 nan 8.370 nan 0.000 0.511 956 D N 1.051 121.489 120.400 0.064 0.000 2.549 956 D HA 0.005 -3.697 4.640 -13.904 0.000 0.251 956 D C 0.895 177.244 176.300 0.081 0.000 1.153 956 D CA -0.299 53.797 54.000 0.161 0.000 0.861 956 D CB 2.213 43.092 40.800 0.132 0.000 1.207 956 D HN -0.114 nan 8.370 nan 0.000 0.543 957 E N 3.365 123.623 120.200 0.097 0.000 2.070 957 E HA -0.188 -4.180 4.350 -13.904 0.000 0.197 957 E C 1.346 177.937 176.600 -0.015 0.000 1.004 957 E CA 1.174 57.595 56.400 0.035 0.000 0.805 957 E CB 0.248 29.969 29.700 0.035 0.000 0.744 957 E HN 0.587 nan 8.360 nan 0.000 0.451 958 L N 0.162 121.324 121.223 -0.102 0.000 2.072 958 L HA -0.122 -4.124 4.340 -13.904 0.000 0.205 958 L C 2.671 179.546 176.870 0.008 0.000 1.079 958 L CA 0.257 55.060 54.840 -0.062 0.000 0.752 958 L CB -0.360 41.622 42.059 -0.128 0.000 0.906 958 L HN 0.256 nan 8.230 nan 0.000 0.436 959 L N -0.034 121.203 121.223 0.023 0.000 2.046 959 L HA -0.215 -4.217 4.340 -13.904 0.000 0.208 959 L C 2.331 179.281 176.870 0.134 0.000 1.077 959 L CA 1.560 56.450 54.840 0.084 0.000 0.747 959 L CB -0.555 41.581 42.059 0.128 0.000 0.896 959 L HN 0.117 nan 8.230 nan 0.000 0.432 960 L N -0.522 120.761 121.223 0.100 0.000 2.042 960 L HA -0.256 -4.258 4.340 -13.904 0.000 0.210 960 L C 2.487 179.496 176.870 0.232 0.000 1.076 960 L CA 1.842 56.765 54.840 0.137 0.000 0.749 960 L CB -0.745 41.347 42.059 0.056 0.000 0.893 960 L HN 0.440 nan 8.230 nan 0.000 0.432 961 Q N -0.986 118.900 119.800 0.144 0.000 2.170 961 Q HA -0.178 -4.181 4.340 -13.904 0.000 0.203 961 Q C 1.988 178.051 176.000 0.105 0.000 0.976 961 Q CA 1.414 57.289 55.803 0.121 0.000 0.858 961 Q CB -0.081 28.704 28.738 0.079 0.000 0.907 961 Q HN 0.513 nan 8.270 nan 0.000 0.433 962 E N -0.168 120.095 120.200 0.103 0.000 2.106 962 E HA -0.187 -4.179 4.350 -13.904 0.000 0.192 962 E C 1.474 178.130 176.600 0.094 0.000 0.984 962 E CA 0.725 57.163 56.400 0.064 0.000 0.806 962 E CB -0.321 29.396 29.700 0.029 0.000 0.750 962 E HN 0.483 nan 8.360 nan 0.000 0.458 963 W N 1.835 123.135 121.300 -0.001 0.000 2.335 963 W HA -0.161 -3.843 4.660 -13.904 0.000 0.311 963 W C 1.992 178.515 176.519 0.006 0.000 1.213 963 W CA 1.409 58.767 57.345 0.022 0.000 1.274 963 W CB -0.423 29.078 29.460 0.069 0.000 1.148 963 W HN -0.025 nan 8.180 nan 0.000 0.498 964 L N 0.754 122.056 121.223 0.131 0.000 2.042 964 L HA -0.286 -4.288 4.340 -13.904 0.000 0.210 964 L C 2.591 179.352 176.870 -0.182 0.000 1.076 964 L CA 1.895 56.683 54.840 -0.086 0.000 0.749 964 L CB -0.891 41.220 42.059 0.087 0.000 0.893 964 L HN -0.036 nan 8.230 nan 0.000 0.432 965 K N -0.743 119.597 120.400 -0.100 0.000 2.057 965 K HA -0.143 -4.165 4.320 -13.904 0.000 0.207 965 K C 2.050 178.566 176.600 -0.139 0.000 1.049 965 K CA 1.868 58.094 56.287 -0.103 0.000 0.931 965 K CB -0.291 32.166 32.500 -0.071 0.000 0.714 965 K HN 0.330 nan 8.250 nan 0.000 0.440 966 T N 1.001 115.450 114.554 -0.175 0.000 2.777 966 T HA -0.090 -4.082 4.350 -13.904 0.000 0.266 966 T C 2.068 176.642 174.700 -0.210 0.000 1.040 966 T CA 1.074 63.069 62.100 -0.174 0.000 1.141 966 T CB -0.174 68.598 68.868 -0.160 0.000 0.868 966 T HN -0.061 nan 8.240 nan 0.000 0.444 967 V N 1.384 121.064 119.914 -0.390 0.000 2.261 967 V HA -0.176 -4.398 4.120 -13.904 0.000 0.246 967 V C 2.748 178.748 176.094 -0.157 0.000 1.047 967 V CA 2.014 64.124 62.300 -0.316 0.000 1.015 967 V CB -0.918 30.535 31.823 -0.617 0.000 0.642 967 V HN 0.501 nan 8.190 nan 0.000 0.446 968 S N -0.660 114.936 115.700 -0.174 0.000 2.383 968 S HA -0.253 -4.125 4.470 -13.904 0.000 0.229 968 S C 2.141 176.727 174.600 -0.023 0.000 1.030 968 S CA 1.781 59.923 58.200 -0.097 0.000 1.002 968 S CB -0.337 62.807 63.200 -0.094 0.000 0.829 968 S HN 0.522 nan 8.310 nan 0.000 0.467 969 R N 0.586 121.052 120.500 -0.057 0.000 2.297 969 R HA 0.222 -3.780 4.340 -13.904 0.000 0.197 969 R C 0.030 176.294 176.300 -0.060 0.000 0.943 969 R CA 0.028 56.099 56.100 -0.048 0.000 1.038 969 R CB 0.005 30.264 30.300 -0.068 0.000 0.957 969 R HN 0.261 nan 8.270 nan 0.000 0.484 970 S N 1.464 117.119 115.700 -0.076 0.000 2.546 970 S HA -0.078 -3.950 4.470 -13.904 0.000 0.290 970 S C -0.169 174.311 174.600 -0.199 0.000 1.290 970 S CA 0.021 58.140 58.200 -0.135 0.000 1.069 970 S CB 0.861 63.994 63.200 -0.111 0.000 0.846 970 S HN 0.152 nan 8.310 nan 0.000 0.495 971 D N 3.092 123.324 120.400 -0.279 0.000 2.600 971 D HA 0.056 -3.647 4.640 -13.904 0.000 0.226 971 D C -0.165 175.907 176.300 -0.379 0.000 1.119 971 D CA -0.117 53.725 54.000 -0.263 0.000 1.051 971 D CB -0.070 40.613 40.800 -0.194 0.000 1.106 971 D HN 0.170 nan 8.370 nan 0.000 0.491 972 R N 1.828 122.146 120.500 -0.303 0.000 2.514 972 R HA 0.265 -3.738 4.340 -13.904 0.000 0.301 972 R C 1.222 177.438 176.300 -0.139 0.000 0.962 972 R CA -0.568 55.335 56.100 -0.329 0.000 0.882 972 R CB 1.285 31.331 30.300 -0.423 0.000 1.143 972 R HN 0.203 nan 8.270 nan 0.000 0.452 973 K N 0.591 120.929 120.400 -0.103 0.000 2.148 973 K HA -0.119 -4.141 4.320 -13.904 0.000 0.204 973 K C 0.536 177.157 176.600 0.036 0.000 1.050 973 K CA 1.513 57.794 56.287 -0.010 0.000 0.942 973 K CB 0.224 32.719 32.500 -0.009 0.000 0.724 973 K HN 0.524 nan 8.250 nan 0.000 0.446 974 D N 0.708 121.113 120.400 0.008 0.000 2.434 974 D HA -0.037 -3.740 4.640 -13.904 0.000 0.232 974 D C 1.171 177.503 176.300 0.053 0.000 1.166 974 D CA -0.140 53.897 54.000 0.062 0.000 0.830 974 D CB -0.050 40.803 40.800 0.088 0.000 0.960 974 D HN 0.004 nan 8.370 nan 0.000 0.497 975 I N -0.188 120.389 120.570 0.012 0.000 2.335 975 I HA -0.236 -4.408 4.170 -13.904 0.000 0.251 975 I C 1.338 177.353 176.117 -0.170 0.000 1.129 975 I CA 1.319 62.570 61.300 -0.083 0.000 1.402 975 I CB -0.237 37.707 38.000 -0.093 0.000 1.069 975 I HN -0.032 nan 8.210 nan 0.000 0.424 976 Y N 0.598 120.863 120.300 -0.057 0.000 2.220 976 Y HA -0.185 -3.978 4.550 -13.903 0.000 0.291 976 Y C 2.453 178.319 175.900 -0.058 0.000 1.129 976 Y CA 1.506 59.549 58.100 -0.095 0.000 1.161 976 Y CB -0.408 38.025 38.460 -0.045 0.000 0.997 976 Y HN 0.161 nan 8.280 nan 0.000 0.522 977 E N 0.213 120.490 120.200 0.128 0.000 2.110 977 E HA -0.157 -4.149 4.350 -13.904 0.000 0.193 977 E C 2.104 178.735 176.600 0.052 0.000 0.988 977 E CA 1.237 57.682 56.400 0.075 0.000 0.804 977 E CB -0.438 29.303 29.700 0.068 0.000 0.745 977 E HN 0.461 nan 8.360 nan 0.000 0.458 978 I N 0.240 120.845 120.570 0.059 0.000 2.226 978 I HA -0.254 -4.426 4.170 -13.904 0.000 0.245 978 I C 2.011 178.140 176.117 0.020 0.000 1.100 978 I CA 0.899 62.246 61.300 0.077 0.000 1.374 978 I CB -0.202 37.867 38.000 0.116 0.000 1.057 978 I HN 0.095 nan 8.210 nan 0.000 0.413 979 L N 0.407 121.585 121.223 -0.076 0.000 2.131 979 L HA -0.208 -4.210 4.340 -13.904 0.000 0.210 979 L C 2.541 179.393 176.870 -0.031 0.000 1.092 979 L CA 1.047 55.811 54.840 -0.126 0.000 0.759 979 L CB -0.506 41.383 42.059 -0.283 0.000 0.903 979 L HN 0.162 nan 8.230 nan 0.000 0.435 980 K N 0.958 121.365 120.400 0.011 0.000 2.057 980 K HA -0.199 -4.221 4.320 -13.904 0.000 0.206 980 K C 2.082 178.705 176.600 0.039 0.000 1.050 980 K CA 1.468 57.779 56.287 0.040 0.000 0.935 980 K CB -0.096 32.431 32.500 0.045 0.000 0.715 980 K HN 0.051 nan 8.250 nan 0.000 0.439 981 K N -0.250 120.174 120.400 0.040 0.000 2.057 981 K HA -0.130 -4.153 4.320 -13.904 0.000 0.207 981 K C 1.864 178.521 176.600 0.095 0.000 1.049 981 K CA 1.264 57.584 56.287 0.054 0.000 0.931 981 K CB -0.143 32.385 32.500 0.047 0.000 0.714 981 K HN 0.038 nan 8.250 nan 0.000 0.440 982 L N 1.947 123.232 121.223 0.103 0.000 2.012 982 L HA -0.185 -4.187 4.340 -13.904 0.000 0.210 982 L C 2.058 178.966 176.870 0.063 0.000 1.073 982 L CA 1.786 56.687 54.840 0.102 0.000 0.748 982 L CB -0.613 41.454 42.059 0.014 0.000 0.891 982 L HN 0.256 nan 8.230 nan 0.000 0.431 983 E N -0.794 119.429 120.200 0.038 0.000 2.038 983 E HA -0.232 -4.224 4.350 -13.904 0.000 0.195 983 E C 1.894 178.532 176.600 0.063 0.000 1.000 983 E CA 1.463 57.899 56.400 0.061 0.000 0.803 983 E CB -0.185 29.571 29.700 0.093 0.000 0.750 983 E HN 0.489 nan 8.360 nan 0.000 0.448 984 N N 0.522 119.255 118.700 0.054 0.000 2.244 984 N HA -0.117 -3.719 4.740 -13.904 0.000 0.183 984 N C 1.265 176.798 175.510 0.040 0.000 1.016 984 N CA 1.036 54.112 53.050 0.042 0.000 0.866 984 N CB 0.048 38.553 38.487 0.030 0.000 0.980 984 N HN 0.299 nan 8.380 nan 0.000 0.430 985 E N -0.689 119.540 120.200 0.049 0.000 2.413 985 E HA 0.135 -3.857 4.350 -13.904 0.000 0.203 985 E C 1.002 177.634 176.600 0.053 0.000 0.957 985 E CA 0.093 56.514 56.400 0.036 0.000 0.950 985 E CB 0.906 30.618 29.700 0.020 0.000 0.957 985 E HN 0.047 nan 8.360 nan 0.000 0.497 986 V N -0.070 119.897 119.914 0.089 0.000 3.279 986 V HA -0.027 -4.249 4.120 -13.904 0.000 0.213 986 V C 1.620 177.778 176.094 0.107 0.000 1.335 986 V CA 0.066 62.442 62.300 0.127 0.000 1.317 986 V CB -0.085 31.872 31.823 0.223 0.000 1.209 986 V HN 0.073 nan 8.190 nan 0.000 0.525 987 L N 0.707 121.984 121.223 0.091 0.000 2.005 987 L HA 0.023 -3.979 4.340 -13.904 0.000 0.207 987 L C 1.605 178.515 176.870 0.066 0.000 1.072 987 L CA 2.163 57.047 54.840 0.073 0.000 0.744 987 L CB -0.684 41.404 42.059 0.048 0.000 0.895 987 L HN 0.431 nan 8.230 nan 0.000 0.433 988 K N -1.125 119.312 120.400 0.062 0.000 1.779 988 K HA -0.288 -4.311 4.320 -13.904 0.000 0.128 988 K C 0.223 176.848 176.600 0.042 0.000 1.288 988 K CA 1.936 58.252 56.287 0.048 0.000 0.398 988 K CB -1.435 31.085 32.500 0.033 0.000 0.609 988 K HN 0.323 nan 8.250 nan 0.000 0.874 989 D N 0.992 121.397 120.400 0.008 0.000 2.643 989 D HA 0.106 -3.596 4.640 -13.904 0.000 0.244 989 D C -0.389 175.862 176.300 -0.082 0.000 1.257 989 D CA 0.069 54.051 54.000 -0.029 0.000 0.831 989 D CB 0.593 41.359 40.800 -0.056 0.000 1.043 989 D HN 0.258 nan 8.370 nan 0.000 0.488 990 S N 0.553 116.236 115.700 -0.028 0.000 2.558 990 S HA -0.016 -3.888 4.470 -13.904 0.000 0.293 990 S C 1.130 175.685 174.600 -0.074 0.000 1.292 990 S CA 0.277 58.456 58.200 -0.035 0.000 1.063 990 S CB 0.655 63.874 63.200 0.032 0.000 0.831 990 S HN 0.104 nan 8.310 nan 0.000 0.499 991 K N 2.492 122.797 120.400 -0.158 0.000 2.414 991 K HA 0.136 -3.886 4.320 -13.904 0.000 0.204 991 K C 0.060 176.700 176.600 0.067 0.000 1.026 991 K CA -0.299 55.860 56.287 -0.214 0.000 1.108 991 K CB 0.172 32.258 32.500 -0.690 0.000 0.855 991 K HN 0.478 nan 8.250 nan 0.000 0.517 992 N N 2.263 121.009 118.700 0.077 0.000 2.420 992 N HA 0.043 -3.559 4.740 -13.904 0.000 0.262 992 N C -2.104 173.489 175.510 0.138 0.000 1.144 992 N CA -1.809 51.312 53.050 0.117 0.000 0.952 992 N CB 1.390 39.939 38.487 0.103 0.000 1.081 992 N HN -0.149 nan 8.380 nan 0.000 0.480 993 P HA -0.085 nan 4.420 nan 0.000 0.216 993 P C 0.725 178.087 177.300 0.104 0.000 1.150 993 P CA 1.082 64.252 63.100 0.117 0.000 0.837 993 P CB 0.361 32.109 31.700 0.079 0.000 0.786 994 N N -0.608 118.156 118.700 0.106 0.000 2.104 994 N HA -0.144 -3.746 4.740 -13.904 0.000 0.190 994 N C 1.310 176.870 175.510 0.084 0.000 1.024 994 N CA 1.320 54.426 53.050 0.093 0.000 0.853 994 N CB -0.936 37.607 38.487 0.093 0.000 1.008 994 N HN 0.170 nan 8.380 nan 0.000 0.424 995 D N 0.498 120.953 120.400 0.092 0.000 2.084 995 D HA -0.022 -3.725 4.640 -13.904 0.000 0.196 995 D C 2.161 178.508 176.300 0.077 0.000 0.985 995 D CA 0.576 54.627 54.000 0.084 0.000 0.826 995 D CB -0.318 40.535 40.800 0.089 0.000 0.978 995 D HN 0.253 nan 8.370 nan 0.000 0.456 996 I N 0.873 121.519 120.570 0.126 0.000 2.127 996 I HA -0.257 -4.429 4.170 -13.904 0.000 0.241 996 I C 2.551 178.779 176.117 0.186 0.000 1.075 996 I CA 1.178 62.596 61.300 0.198 0.000 1.334 996 I CB -0.196 37.950 38.000 0.243 0.000 1.040 996 I HN -0.103 nan 8.210 nan 0.000 0.405 997 R N 0.700 121.276 120.500 0.126 0.000 2.105 997 R HA -0.139 -4.141 4.340 -13.904 0.000 0.239 997 R C 2.407 178.738 176.300 0.052 0.000 1.135 997 R CA 1.456 57.612 56.100 0.093 0.000 0.967 997 R CB -0.487 29.849 30.300 0.059 0.000 0.861 997 R HN 0.410 nan 8.270 nan 0.000 0.442 998 A N 0.530 123.367 122.820 0.028 0.000 1.930 998 A HA -0.071 -4.093 4.320 -13.904 0.000 0.217 998 A C 2.308 179.848 177.584 -0.073 0.000 1.175 998 A CA 1.078 53.110 52.037 -0.009 0.000 0.627 998 A CB -0.261 18.747 19.000 0.015 0.000 0.815 998 A HN 0.107 nan 8.150 nan 0.000 0.443 999 V N -1.742 118.081 119.914 -0.153 0.000 2.379 999 V HA -0.191 -4.413 4.120 -13.904 0.000 0.245 999 V C 2.204 178.040 176.094 -0.428 0.000 1.044 999 V CA 1.793 63.861 62.300 -0.387 0.000 1.036 999 V CB -0.778 30.648 31.823 -0.662 0.000 0.664 999 V HN 0.680 nan 8.190 nan 0.000 0.453 1000 Y N -1.350 118.970 120.300 0.032 0.000 2.500 1000 Y HA 0.246 -3.546 4.550 -13.904 0.000 0.284 1000 Y C 2.034 177.971 175.900 0.061 0.000 1.118 1000 Y CA 0.153 58.293 58.100 0.067 0.000 1.241 1000 Y CB -0.305 38.199 38.460 0.074 0.000 1.171 1000 Y HN 0.035 nan 8.280 nan 0.000 0.540 1001 L N 0.266 121.567 121.223 0.130 0.000 2.056 1001 L HA -0.116 -4.118 4.340 -13.904 0.000 0.207 1001 L C -0.604 176.233 176.870 -0.056 0.000 1.078 1001 L CA 1.245 56.091 54.840 0.010 0.000 0.749 1001 L CB -1.579 40.477 42.059 -0.006 0.000 0.901 1001 L HN 0.160 nan 8.230 nan 0.000 0.433 1002 P HA -0.216 nan 4.420 nan 0.000 0.217 1002 P C 1.565 178.833 177.300 -0.054 0.000 1.150 1002 P CA 1.157 64.222 63.100 -0.059 0.000 0.832 1002 P CB -0.106 31.562 31.700 -0.054 0.000 0.787 1003 F N 1.500 121.366 119.950 -0.141 0.000 2.154 1003 F HA -0.234 -4.049 4.527 -13.903 0.000 0.301 1003 F C 1.841 177.519 175.800 -0.203 0.000 1.087 1003 F CA 2.195 60.108 58.000 -0.144 0.000 1.274 1003 F CB -1.461 37.469 39.000 -0.116 0.000 1.009 1003 F HN -0.040 nan 8.300 nan 0.000 0.485 1004 T N -2.421 111.733 114.554 -0.666 0.000 3.098 1004 T HA -0.114 -4.106 4.350 -13.904 0.000 0.266 1004 T C 1.302 175.548 174.700 -0.756 0.000 1.145 1004 T CA 1.489 62.820 62.100 -1.281 0.000 1.092 1004 T CB -1.003 67.118 68.868 -1.244 0.000 0.908 1004 T HN 0.481 nan 8.240 nan 0.000 0.526 1005 N N 1.179 119.647 118.700 -0.387 0.000 2.353 1005 N HA 0.085 -3.517 4.740 -13.904 0.000 0.185 1005 N C 0.413 175.866 175.510 -0.095 0.000 1.098 1005 N CA -0.175 52.772 53.050 -0.171 0.000 0.872 1005 N CB -0.016 38.406 38.487 -0.108 0.000 0.970 1005 N HN 0.229 nan 8.380 nan 0.000 0.467 1006 N N 2.106 120.706 118.700 -0.167 0.000 2.410 1006 N HA -0.049 -3.651 4.740 -13.904 0.000 0.281 1006 N C 0.891 176.425 175.510 0.040 0.000 1.241 1006 N CA -0.067 52.940 53.050 -0.071 0.000 0.998 1006 N CB 0.401 38.831 38.487 -0.096 0.000 1.376 1006 N HN 0.174 nan 8.380 nan 0.000 0.490 1007 L N 5.300 126.593 121.223 0.118 0.000 1.990 1007 L HA -0.167 -4.169 4.340 -13.904 0.000 0.213 1007 L C 2.231 179.240 176.870 0.231 0.000 1.072 1007 L CA 1.808 56.788 54.840 0.233 0.000 0.755 1007 L CB -0.260 41.882 42.059 0.138 0.000 0.889 1007 L HN 0.509 nan 8.230 nan 0.000 0.432 1008 R N -1.186 119.393 120.500 0.130 0.000 2.066 1008 R HA -0.073 -4.075 4.340 -13.904 0.000 0.232 1008 R C 2.278 178.647 176.300 0.115 0.000 1.131 1008 R CA 1.367 57.531 56.100 0.106 0.000 0.955 1008 R CB -0.202 30.143 30.300 0.075 0.000 0.851 1008 R HN 0.391 nan 8.270 nan 0.000 0.432 1009 R N -0.613 119.959 120.500 0.119 0.000 2.105 1009 R HA 0.018 -3.984 4.340 -13.904 0.000 0.214 1009 R C 2.095 178.500 176.300 0.175 0.000 1.091 1009 R CA 0.505 56.724 56.100 0.198 0.000 1.007 1009 R CB -0.725 29.722 30.300 0.246 0.000 0.912 1009 R HN 0.160 nan 8.270 nan 0.000 0.450 1010 F N 2.425 122.207 119.950 -0.280 0.000 2.126 1010 F HA -0.170 -3.985 4.527 -13.903 0.000 0.299 1010 F C 1.652 177.205 175.800 -0.411 0.000 1.096 1010 F CA 1.574 59.216 58.000 -0.597 0.000 1.255 1010 F CB -0.222 38.160 39.000 -1.028 0.000 0.997 1010 F HN 0.079 nan 8.300 nan 0.000 0.479 1011 H N 0.360 119.267 119.070 -0.272 0.000 2.645 1011 H HA 0.078 -3.708 4.556 -13.904 0.000 0.300 1011 H C -0.215 174.940 175.328 -0.288 0.000 1.065 1011 H CA 0.162 56.012 56.048 -0.330 0.000 1.173 1011 H CB -1.294 28.477 29.762 0.016 0.000 1.383 1011 H HN 0.313 nan 8.280 nan 0.000 0.566 1012 D N 0.766 121.046 120.400 -0.200 0.000 2.648 1012 D HA -0.122 -3.824 4.640 -13.904 0.000 0.229 1012 D C 1.409 177.587 176.300 -0.203 0.000 1.119 1012 D CA -0.051 53.866 54.000 -0.138 0.000 0.850 1012 D CB 0.597 41.325 40.800 -0.119 0.000 1.169 1012 D HN 0.104 nan 8.370 nan 0.000 0.489 1013 I N 3.012 123.525 120.570 -0.096 0.000 2.700 1013 I HA -0.194 -4.366 4.170 -13.904 0.000 0.261 1013 I C 1.997 178.074 176.117 -0.067 0.000 1.219 1013 I CA 1.228 62.495 61.300 -0.056 0.000 1.463 1013 I CB -0.371 37.621 38.000 -0.014 0.000 1.092 1013 I HN 0.548 nan 8.210 nan 0.000 0.452 1014 S N -0.007 115.629 115.700 -0.107 0.000 2.474 1014 S HA 0.082 -3.790 4.470 -13.904 0.000 0.235 1014 S C 1.893 176.430 174.600 -0.105 0.000 0.997 1014 S CA 0.550 58.691 58.200 -0.098 0.000 0.949 1014 S CB -0.693 62.434 63.200 -0.123 0.000 0.766 1014 S HN 0.772 nan 8.310 nan 0.000 0.517 1015 G N 2.225 110.902 108.800 -0.204 0.000 2.179 1015 G HA2 -0.380 -4.762 3.960 -13.904 0.000 0.260 1015 G HA3 -0.380 -4.762 3.960 -13.904 0.000 0.260 1015 G C 0.760 175.526 174.900 -0.222 0.000 0.977 1015 G CA 0.598 45.561 45.100 -0.229 0.000 0.641 1015 G HN 0.792 nan 8.290 nan 0.000 0.533 1016 K N 0.046 120.310 120.400 -0.227 0.000 2.211 1016 K HA 0.175 -3.847 4.320 -13.904 0.000 0.203 1016 K C 2.435 179.037 176.600 0.003 0.000 1.050 1016 K CA 1.607 57.807 56.287 -0.145 0.000 0.945 1016 K CB -0.543 31.789 32.500 -0.279 0.000 0.732 1016 K HN 0.529 nan 8.250 nan 0.000 0.451 1017 G N 0.621 109.388 108.800 -0.055 0.000 2.402 1017 G HA2 -0.199 -4.581 3.960 -13.904 0.000 0.216 1017 G HA3 -0.199 -4.581 3.960 -13.904 0.000 0.216 1017 G C 0.932 175.879 174.900 0.078 0.000 1.162 1017 G CA 0.527 45.721 45.100 0.157 0.000 0.777 1017 G HN 0.259 nan 8.290 nan 0.000 0.539 1018 Y N 0.828 121.036 120.300 -0.153 0.000 2.200 1018 Y HA 0.019 -3.772 4.550 -13.903 0.000 0.290 1018 Y C 2.622 178.666 175.900 0.241 0.000 1.137 1018 Y CA 0.769 58.882 58.100 0.022 0.000 1.163 1018 Y CB -0.714 37.775 38.460 0.048 0.000 0.988 1018 Y HN 0.175 nan 8.280 nan 0.000 0.518 1019 K N 0.218 120.791 120.400 0.288 0.000 2.057 1019 K HA -0.191 -4.213 4.320 -13.904 0.000 0.207 1019 K C 2.104 178.816 176.600 0.187 0.000 1.049 1019 K CA 1.142 57.550 56.287 0.201 0.000 0.931 1019 K CB -0.428 32.140 32.500 0.113 0.000 0.714 1019 K HN 0.213 nan 8.250 nan 0.000 0.440 1020 L N 1.572 122.925 121.223 0.216 0.000 1.989 1020 L HA -0.208 -4.210 4.340 -13.904 0.000 0.211 1020 L C 2.004 178.955 176.870 0.136 0.000 1.071 1020 L CA 1.662 56.616 54.840 0.191 0.000 0.749 1020 L CB -0.472 41.758 42.059 0.286 0.000 0.890 1020 L HN 0.197 nan 8.230 nan 0.000 0.431 1021 I N 0.013 120.746 120.570 0.272 0.000 2.315 1021 I HA -0.193 -4.365 4.170 -13.904 0.000 0.248 1021 I C 2.703 178.947 176.117 0.210 0.000 1.117 1021 I CA 1.363 62.796 61.300 0.222 0.000 1.404 1021 I CB -2.141 36.077 38.000 0.362 0.000 1.071 1021 I HN 0.364 nan 8.210 nan 0.000 0.419 1022 A N 0.671 123.673 122.820 0.304 0.000 1.902 1022 A HA -0.211 -4.233 4.320 -13.904 0.000 0.217 1022 A C 2.283 179.895 177.584 0.047 0.000 1.181 1022 A CA 1.560 53.695 52.037 0.164 0.000 0.623 1022 A CB -0.640 18.439 19.000 0.132 0.000 0.818 1022 A HN 0.450 nan 8.150 nan 0.000 0.443 1023 E N -0.464 119.762 120.200 0.043 0.000 2.085 1023 E HA -0.149 -4.141 4.350 -13.904 0.000 0.194 1023 E C 1.984 178.555 176.600 -0.048 0.000 0.994 1023 E CA 1.456 57.856 56.400 -0.000 0.000 0.801 1023 E CB -0.255 29.451 29.700 0.011 0.000 0.743 1023 E HN 0.413 nan 8.360 nan 0.000 0.453 1024 V N 1.113 120.956 119.914 -0.118 0.000 2.358 1024 V HA -0.250 -4.472 4.120 -13.904 0.000 0.246 1024 V C 2.198 178.220 176.094 -0.120 0.000 1.047 1024 V CA 1.458 63.636 62.300 -0.202 0.000 1.035 1024 V CB -0.371 31.123 31.823 -0.549 0.000 0.658 1024 V HN 0.254 nan 8.190 nan 0.000 0.452 1025 I N -0.035 120.488 120.570 -0.078 0.000 2.127 1025 I HA -0.264 -4.437 4.170 -13.904 0.000 0.241 1025 I C 2.606 178.661 176.117 -0.104 0.000 1.075 1025 I CA 2.040 63.292 61.300 -0.079 0.000 1.334 1025 I CB -0.659 37.322 38.000 -0.031 0.000 1.040 1025 I HN 0.284 nan 8.210 nan 0.000 0.405 1026 T N 0.337 114.846 114.554 -0.075 0.000 2.684 1026 T HA -0.256 -4.248 4.350 -13.904 0.000 0.267 1026 T C 1.955 176.614 174.700 -0.068 0.000 1.036 1026 T CA 1.566 63.625 62.100 -0.069 0.000 1.148 1026 T CB -0.204 68.638 68.868 -0.044 0.000 0.863 1026 T HN 0.278 nan 8.240 nan 0.000 0.436 1027 K N 0.275 120.648 120.400 -0.046 0.000 2.057 1027 K HA -0.126 -4.148 4.320 -13.904 0.000 0.207 1027 K C 2.295 178.858 176.600 -0.062 0.000 1.049 1027 K CA 1.564 57.852 56.287 0.002 0.000 0.931 1027 K CB -0.212 32.318 32.500 0.049 0.000 0.714 1027 K HN 0.261 nan 8.250 nan 0.000 0.440 1028 T N 0.746 115.170 114.554 -0.216 0.000 2.821 1028 T HA -0.143 -4.135 4.350 -13.904 0.000 0.267 1028 T C 1.289 175.530 174.700 -0.766 0.000 1.046 1028 T CA 1.612 63.312 62.100 -0.667 0.000 1.139 1028 T CB -0.368 68.252 68.868 -0.413 0.000 0.871 1028 T HN 0.382 nan 8.240 nan 0.000 0.454 1029 D N 0.915 121.091 120.400 -0.373 0.000 2.221 1029 D HA -0.108 -3.810 4.640 -13.904 0.000 0.204 1029 D C 1.989 178.165 176.300 -0.206 0.000 0.982 1029 D CA 0.825 54.665 54.000 -0.266 0.000 0.857 1029 D CB 0.036 40.740 40.800 -0.161 0.000 0.934 1029 D HN 0.066 nan 8.370 nan 0.000 0.475 1030 K N -0.427 119.883 120.400 -0.152 0.000 2.209 1030 K HA -0.102 -4.124 4.320 -13.904 0.000 0.204 1030 K C 1.697 178.354 176.600 0.095 0.000 1.048 1030 K CA 0.835 57.121 56.287 -0.001 0.000 0.940 1030 K CB -0.442 32.109 32.500 0.085 0.000 0.729 1030 K HN 0.524 nan 8.250 nan 0.000 0.451 1031 F N -2.316 117.646 119.950 0.021 0.000 2.778 1031 F HA 0.404 -3.411 4.527 -13.903 0.000 0.314 1031 F C 0.197 176.015 175.800 0.030 0.000 1.073 1031 F CA -0.804 57.233 58.000 0.062 0.000 1.218 1031 F CB 0.322 39.378 39.000 0.092 0.000 1.037 1031 F HN -0.230 nan 8.300 nan 0.000 0.594 1032 N N 1.337 119.799 118.700 -0.397 0.000 2.710 1032 N HA 0.306 -3.296 4.740 -13.904 0.000 0.244 1032 N C -2.512 172.827 175.510 -0.285 0.000 1.321 1032 N CA -1.879 51.015 53.050 -0.260 0.000 0.758 1032 N CB 1.316 39.684 38.487 -0.199 0.000 1.284 1032 N HN -0.172 nan 8.380 nan 0.000 0.530 1033 P HA -0.142 nan 4.420 nan 0.000 0.216 1033 P C 1.701 178.886 177.300 -0.192 0.000 1.150 1033 P CA 1.166 64.159 63.100 -0.179 0.000 0.843 1033 P CB 0.338 31.963 31.700 -0.124 0.000 0.787 1034 M N -0.824 118.663 119.600 -0.189 0.000 2.086 1034 M HA -0.146 -4.008 4.480 -13.904 0.000 0.261 1034 M C 1.649 177.827 176.300 -0.203 0.000 1.067 1034 M CA 2.022 57.203 55.300 -0.199 0.000 1.116 1034 M CB -0.729 31.745 32.600 -0.210 0.000 1.348 1034 M HN -0.262 nan 8.290 nan 0.000 0.407 1035 V N 0.888 120.688 119.914 -0.190 0.000 2.453 1035 V HA -0.168 -4.390 4.120 -13.904 0.000 0.247 1035 V C 2.741 178.731 176.094 -0.174 0.000 1.048 1035 V CA 1.634 63.839 62.300 -0.158 0.000 1.049 1035 V CB -1.538 30.215 31.823 -0.115 0.000 0.672 1035 V HN 0.675 nan 8.190 nan 0.000 0.457 1036 A N -0.377 122.312 122.820 -0.219 0.000 1.908 1036 A HA -0.276 -4.298 4.320 -13.904 0.000 0.218 1036 A C 2.418 179.870 177.584 -0.219 0.000 1.181 1036 A CA 2.655 54.568 52.037 -0.207 0.000 0.627 1036 A CB -1.073 17.791 19.000 -0.226 0.000 0.818 1036 A HN 0.455 nan 8.150 nan 0.000 0.445 1037 T N -0.171 114.211 114.554 -0.287 0.000 2.720 1037 T HA -0.192 -4.184 4.350 -13.904 0.000 0.268 1037 T C 2.061 176.480 174.700 -0.467 0.000 1.037 1037 T CA 1.932 63.740 62.100 -0.486 0.000 1.144 1037 T CB -0.268 68.320 68.868 -0.467 0.000 0.864 1037 T HN 0.667 nan 8.240 nan 0.000 0.444 1038 Q N 0.132 119.770 119.800 -0.270 0.000 2.167 1038 Q HA 0.068 -3.935 4.340 -13.904 0.000 0.202 1038 Q C 2.202 178.142 176.000 -0.101 0.000 0.970 1038 Q CA 0.970 56.673 55.803 -0.167 0.000 0.855 1038 Q CB -0.232 28.438 28.738 -0.114 0.000 0.911 1038 Q HN 0.465 nan 8.270 nan 0.000 0.438 1039 L N -0.412 120.758 121.223 -0.088 0.000 2.465 1039 L HA -0.093 -4.095 4.340 -13.904 0.000 0.224 1039 L C 1.744 178.645 176.870 0.053 0.000 1.145 1039 L CA 0.044 54.874 54.840 -0.016 0.000 0.834 1039 L CB -0.074 41.975 42.059 -0.017 0.000 0.944 1039 L HN 0.330 nan 8.230 nan 0.000 0.451 1040 C N -0.419 118.900 119.300 0.032 0.000 2.522 1040 C HA -0.066 -3.948 4.460 -13.904 0.000 0.271 1040 C C 2.505 177.675 174.990 0.300 0.000 1.425 1040 C CA 0.055 59.213 59.018 0.233 0.000 1.751 1040 C CB -0.837 26.978 27.740 0.126 0.000 1.775 1040 C HN 0.554 nan 8.230 nan 0.000 0.557 1041 E N 1.909 122.191 120.200 0.137 0.000 2.097 1041 E HA -0.230 -4.222 4.350 -13.904 0.000 0.196 1041 E C -0.774 175.888 176.600 0.104 0.000 1.000 1041 E CA 1.671 58.148 56.400 0.129 0.000 0.804 1041 E CB -0.495 29.232 29.700 0.045 0.000 0.740 1041 E HN 0.428 nan 8.360 nan 0.000 0.454 1042 P HA -0.149 nan 4.420 nan 0.000 0.218 1042 P C 0.546 177.829 177.300 -0.028 0.000 1.148 1042 P CA 1.178 64.198 63.100 -0.134 0.000 0.822 1042 P CB -0.140 31.304 31.700 -0.427 0.000 0.784 1043 F N -0.201 119.864 119.950 0.192 0.000 2.748 1043 F HA 0.031 -3.784 4.527 -13.904 0.000 0.299 1043 F C 1.924 177.899 175.800 0.292 0.000 1.154 1043 F CA 0.802 58.925 58.000 0.206 0.000 1.446 1043 F CB -0.746 38.328 39.000 0.122 0.000 1.112 1043 F HN -0.135 nan 8.300 nan 0.000 0.584 1044 K N 0.384 121.004 120.400 0.367 0.000 2.211 1044 K HA -0.137 -4.159 4.320 -13.904 0.000 0.204 1044 K C 1.298 178.030 176.600 0.220 0.000 1.047 1044 K CA 1.211 57.673 56.287 0.291 0.000 0.935 1044 K CB -0.298 32.327 32.500 0.209 0.000 0.728 1044 K HN 0.277 nan 8.250 nan 0.000 0.452 1045 L N -1.262 120.076 121.223 0.191 0.000 2.653 1045 L HA 0.137 -3.865 4.340 -13.904 0.000 0.231 1045 L C 1.600 178.500 176.870 0.051 0.000 1.153 1045 L CA -0.330 54.556 54.840 0.077 0.000 0.933 1045 L CB -1.330 40.775 42.059 0.078 0.000 1.175 1045 L HN 0.227 nan 8.230 nan 0.000 0.473 1046 W N 2.200 123.545 121.300 0.074 0.000 2.321 1046 W HA -0.252 -3.935 4.660 -13.904 0.000 0.306 1046 W C 1.259 177.797 176.519 0.032 0.000 1.217 1046 W CA 1.492 58.870 57.345 0.056 0.000 1.257 1046 W CB -1.168 28.349 29.460 0.095 0.000 1.145 1046 W HN 0.610 nan 8.180 nan 0.000 0.509 1047 N N 1.259 119.340 118.700 -1.032 0.000 2.461 1047 N HA -0.073 -3.675 4.740 -13.904 0.000 0.188 1047 N C 0.972 176.217 175.510 -0.441 0.000 1.134 1047 N CA 0.541 52.978 53.050 -1.021 0.000 0.878 1047 N CB -0.594 36.956 38.487 -1.561 0.000 0.972 1047 N HN 0.344 nan 8.380 nan 0.000 0.456 1048 K N -0.080 120.155 120.400 -0.274 0.000 2.358 1048 K HA 0.291 -3.731 4.320 -13.904 0.000 0.197 1048 K C 0.367 176.916 176.600 -0.085 0.000 1.025 1048 K CA -0.074 56.118 56.287 -0.158 0.000 1.104 1048 K CB 0.666 33.090 32.500 -0.127 0.000 0.855 1048 K HN 0.124 nan 8.250 nan 0.000 0.531 1049 L N 1.582 122.775 121.223 -0.049 0.000 2.469 1049 L HA 0.138 -3.864 4.340 -13.904 0.000 0.253 1049 L C 0.303 177.188 176.870 0.024 0.000 1.143 1049 L CA -0.905 53.937 54.840 0.003 0.000 0.804 1049 L CB 0.361 42.450 42.059 0.050 0.000 1.214 1049 L HN 0.186 nan 8.230 nan 0.000 0.476 1050 D N -1.527 118.903 120.400 0.051 0.000 2.390 1050 D HA -0.061 -3.763 4.640 -13.904 0.000 0.236 1050 D C 0.863 177.205 176.300 0.071 0.000 1.189 1050 D CA -0.173 53.863 54.000 0.060 0.000 0.887 1050 D CB 0.503 41.343 40.800 0.067 0.000 1.198 1050 D HN 0.496 nan 8.370 nan 0.000 0.444 1051 T N 0.181 114.772 114.554 0.062 0.000 2.624 1051 T HA -0.278 -4.270 4.350 -13.904 0.000 0.268 1051 T C 1.561 176.316 174.700 0.092 0.000 1.041 1051 T CA 2.045 64.187 62.100 0.070 0.000 1.159 1051 T CB -0.364 68.535 68.868 0.053 0.000 0.863 1051 T HN 0.498 nan 8.240 nan 0.000 0.434 1052 K N 1.081 121.533 120.400 0.087 0.000 2.026 1052 K HA 0.003 -4.019 4.320 -13.904 0.000 0.208 1052 K C 2.351 179.040 176.600 0.147 0.000 1.048 1052 K CA 1.465 57.812 56.287 0.100 0.000 0.929 1052 K CB -0.236 32.312 32.500 0.081 0.000 0.713 1052 K HN 0.235 nan 8.250 nan 0.000 0.439 1053 R N -0.097 120.507 120.500 0.172 0.000 2.115 1053 R HA -0.085 -4.087 4.340 -13.904 0.000 0.230 1053 R C 2.523 178.949 176.300 0.209 0.000 1.111 1053 R CA 1.429 57.686 56.100 0.261 0.000 0.976 1053 R CB -0.213 30.255 30.300 0.280 0.000 0.870 1053 R HN 0.408 nan 8.270 nan 0.000 0.445 1054 Q N 0.683 120.599 119.800 0.193 0.000 2.061 1054 Q HA -0.203 -4.205 4.340 -13.904 0.000 0.204 1054 Q C 1.952 178.116 176.000 0.273 0.000 0.984 1054 Q CA 2.078 58.046 55.803 0.274 0.000 0.846 1054 Q CB 0.220 29.083 28.738 0.208 0.000 0.902 1054 Q HN 0.204 nan 8.270 nan 0.000 0.421 1055 E N 0.045 120.356 120.200 0.186 0.000 2.072 1055 E HA -0.130 -4.122 4.350 -13.904 0.000 0.191 1055 E C 2.017 178.683 176.600 0.110 0.000 0.985 1055 E CA 1.054 57.533 56.400 0.133 0.000 0.801 1055 E CB -0.371 29.392 29.700 0.105 0.000 0.750 1055 E HN 0.461 nan 8.360 nan 0.000 0.452 1056 L N -0.386 120.930 121.223 0.156 0.000 2.017 1056 L HA -0.129 -4.132 4.340 -13.904 0.000 0.208 1056 L C 2.800 179.766 176.870 0.161 0.000 1.073 1056 L CA 1.481 56.444 54.840 0.204 0.000 0.745 1056 L CB -0.461 41.815 42.059 0.361 0.000 0.894 1056 L HN 0.261 nan 8.230 nan 0.000 0.432 1057 M N -0.877 118.745 119.600 0.036 0.000 2.132 1057 M HA -0.216 -4.078 4.480 -13.904 0.000 0.263 1057 M C 2.333 178.586 176.300 -0.079 0.000 1.065 1057 M CA 1.540 56.837 55.300 -0.005 0.000 1.122 1057 M CB -0.290 32.300 32.600 -0.018 0.000 1.365 1057 M HN 0.225 nan 8.290 nan 0.000 0.411 1058 L N 1.006 122.136 121.223 -0.155 0.000 2.046 1058 L HA -0.216 -4.218 4.340 -13.904 0.000 0.208 1058 L C 1.902 178.632 176.870 -0.234 0.000 1.077 1058 L CA 2.023 56.641 54.840 -0.371 0.000 0.747 1058 L CB -1.015 40.851 42.059 -0.322 0.000 0.896 1058 L HN 0.323 nan 8.230 nan 0.000 0.432 1059 N N -0.659 117.982 118.700 -0.099 0.000 2.069 1059 N HA -0.226 -3.828 4.740 -13.904 0.000 0.191 1059 N C 1.741 177.202 175.510 -0.082 0.000 1.031 1059 N CA 1.655 54.669 53.050 -0.061 0.000 0.852 1059 N CB -0.069 38.421 38.487 0.005 0.000 1.018 1059 N HN 0.350 nan 8.380 nan 0.000 0.423 1060 E N 0.009 120.168 120.200 -0.067 0.000 2.106 1060 E HA -0.131 -4.123 4.350 -13.904 0.000 0.192 1060 E C 2.039 178.476 176.600 -0.272 0.000 0.984 1060 E CA 0.882 57.227 56.400 -0.092 0.000 0.806 1060 E CB -0.278 29.457 29.700 0.059 0.000 0.750 1060 E HN 0.595 nan 8.360 nan 0.000 0.458 1061 M N 0.667 120.015 119.600 -0.420 0.000 2.175 1061 M HA -0.116 -3.978 4.480 -13.904 0.000 0.264 1061 M C 1.729 177.853 176.300 -0.294 0.000 1.063 1061 M CA 0.922 55.940 55.300 -0.470 0.000 1.119 1061 M CB -0.219 32.028 32.600 -0.589 0.000 1.377 1061 M HN -0.013 nan 8.290 nan 0.000 0.415 1062 N N -0.033 118.523 118.700 -0.239 0.000 2.188 1062 N HA -0.097 -3.699 4.740 -13.904 0.000 0.184 1062 N C 1.652 177.092 175.510 -0.118 0.000 1.018 1062 N CA 1.656 54.611 53.050 -0.159 0.000 0.858 1062 N CB -0.681 37.729 38.487 -0.129 0.000 0.989 1062 N HN 0.305 nan 8.380 nan 0.000 0.426 1063 T N 1.664 116.152 114.554 -0.111 0.000 2.746 1063 T HA -0.037 -4.029 4.350 -13.904 0.000 0.267 1063 T C 2.069 176.720 174.700 -0.082 0.000 1.039 1063 T CA 0.980 63.034 62.100 -0.077 0.000 1.142 1063 T CB -0.103 68.732 68.868 -0.054 0.000 0.866 1063 T HN 0.209 nan 8.240 nan 0.000 0.444 1064 M N 0.384 119.913 119.600 -0.118 0.000 2.117 1064 M HA -0.001 -3.864 4.480 -13.904 0.000 0.262 1064 M C 2.196 178.440 176.300 -0.094 0.000 1.065 1064 M CA 1.488 56.719 55.300 -0.114 0.000 1.114 1064 M CB -0.561 31.940 32.600 -0.165 0.000 1.361 1064 M HN 0.189 nan 8.290 nan 0.000 0.408 1065 L N -0.321 120.840 121.223 -0.104 0.000 2.275 1065 L HA -0.204 -4.206 4.340 -13.904 0.000 0.215 1065 L C 2.210 179.048 176.870 -0.054 0.000 1.119 1065 L CA 1.081 55.875 54.840 -0.077 0.000 0.790 1065 L CB -0.335 41.672 42.059 -0.086 0.000 0.919 1065 L HN 0.393 nan 8.230 nan 0.000 0.443 1066 Q N -0.694 119.074 119.800 -0.054 0.000 2.432 1066 Q HA -0.022 -4.024 4.340 -13.904 0.000 0.205 1066 Q C 0.137 176.120 176.000 -0.029 0.000 0.945 1066 Q CA 0.049 55.829 55.803 -0.037 0.000 0.924 1066 Q CB 0.313 29.030 28.738 -0.036 0.000 1.016 1066 Q HN 0.275 nan 8.270 nan 0.000 0.503 1067 E N 1.345 121.525 120.200 -0.034 0.000 2.493 1067 E HA -0.056 -4.048 4.350 -13.904 0.000 0.255 1067 E C -1.778 174.811 176.600 -0.018 0.000 0.999 1067 E CA -1.030 55.355 56.400 -0.026 0.000 0.934 1067 E CB 0.699 30.379 29.700 -0.033 0.000 0.940 1067 E HN 0.104 nan 8.360 nan 0.000 0.473 1068 P HA -0.167 nan 4.420 nan 0.000 0.216 1068 P C 0.721 178.019 177.300 -0.004 0.000 1.150 1068 P CA 1.271 64.368 63.100 -0.005 0.000 0.843 1068 P CB 0.374 32.073 31.700 -0.001 0.000 0.787 1069 Q N -1.115 118.682 119.800 -0.005 0.000 2.280 1069 Q HA 0.176 -3.826 4.340 -13.904 0.000 0.201 1069 Q C 0.886 176.878 176.000 -0.012 0.000 0.890 1069 Q CA -0.572 55.229 55.803 -0.004 0.000 0.947 1069 Q CB -0.298 28.442 28.738 0.003 0.000 1.081 1069 Q HN 0.380 nan 8.270 nan 0.000 0.502 1070 I N 3.091 123.650 120.570 -0.019 0.000 2.989 1070 I HA -0.158 -4.330 4.170 -13.904 0.000 0.311 1070 I C 0.667 176.770 176.117 -0.023 0.000 1.221 1070 I CA 0.257 61.541 61.300 -0.028 0.000 1.449 1070 I CB 0.608 38.590 38.000 -0.030 0.000 1.325 1070 I HN 0.157 nan 8.210 nan 0.000 0.557 1071 S N 5.460 121.139 115.700 -0.035 0.000 2.584 1071 S HA 0.102 -3.770 4.470 -13.904 0.000 0.270 1071 S C 1.004 175.598 174.600 -0.010 0.000 1.346 1071 S CA -0.501 57.682 58.200 -0.029 0.000 1.018 1071 S CB 1.034 64.203 63.200 -0.052 0.000 0.899 1071 S HN 0.762 nan 8.310 nan 0.000 0.542 1072 N N 2.270 120.972 118.700 0.004 0.000 2.104 1072 N HA -0.111 -3.714 4.740 -13.904 0.000 0.190 1072 N C 1.351 176.881 175.510 0.034 0.000 1.024 1072 N CA 1.704 54.771 53.050 0.029 0.000 0.853 1072 N CB -1.093 37.423 38.487 0.048 0.000 1.008 1072 N HN 0.721 nan 8.380 nan 0.000 0.424 1073 N N 0.595 119.300 118.700 0.009 0.000 2.025 1073 N HA -0.127 -3.729 4.740 -13.904 0.000 0.194 1073 N C 1.629 177.143 175.510 0.006 0.000 1.044 1073 N CA 0.688 53.737 53.050 -0.001 0.000 0.851 1073 N CB -0.591 37.861 38.487 -0.059 0.000 1.036 1073 N HN 0.133 nan 8.380 nan 0.000 0.422 1074 L N 1.225 122.431 121.223 -0.030 0.000 2.056 1074 L HA -0.052 -4.054 4.340 -13.904 0.000 0.207 1074 L C 2.033 178.921 176.870 0.029 0.000 1.078 1074 L CA 1.712 56.536 54.840 -0.026 0.000 0.749 1074 L CB -0.538 41.477 42.059 -0.072 0.000 0.901 1074 L HN 0.110 nan 8.230 nan 0.000 0.433 1075 K N -0.498 119.912 120.400 0.016 0.000 2.009 1075 K HA -0.266 -4.288 4.320 -13.904 0.000 0.210 1075 K C 2.165 178.791 176.600 0.043 0.000 1.049 1075 K CA 1.894 58.192 56.287 0.018 0.000 0.929 1075 K CB -0.285 32.222 32.500 0.013 0.000 0.714 1075 K HN 0.500 nan 8.250 nan 0.000 0.440 1076 E N -0.455 119.785 120.200 0.067 0.000 2.058 1076 E HA -0.261 -4.253 4.350 -13.904 0.000 0.194 1076 E C 1.981 178.631 176.600 0.083 0.000 0.997 1076 E CA 1.430 57.880 56.400 0.083 0.000 0.801 1076 E CB -0.268 29.502 29.700 0.115 0.000 0.746 1076 E HN 0.449 nan 8.360 nan 0.000 0.450 1077 Y N 0.967 121.247 120.300 -0.033 0.000 2.145 1077 Y HA -0.181 -3.973 4.550 -13.905 0.000 0.286 1077 Y C 2.125 178.000 175.900 -0.041 0.000 1.145 1077 Y CA 1.756 59.824 58.100 -0.054 0.000 1.148 1077 Y CB -0.070 38.347 38.460 -0.071 0.000 0.981 1077 Y HN 0.034 nan 8.280 nan 0.000 0.507 1078 L N -0.851 120.439 121.223 0.111 0.000 2.179 1078 L HA -0.174 -4.176 4.340 -13.904 0.000 0.208 1078 L C 2.293 179.124 176.870 -0.066 0.000 1.096 1078 L CA 0.646 55.480 54.840 -0.009 0.000 0.779 1078 L CB -0.474 41.558 42.059 -0.044 0.000 0.922 1078 L HN 0.278 nan 8.230 nan 0.000 0.443 1079 L N -0.539 120.666 121.223 -0.030 0.000 2.046 1079 L HA -0.201 -4.203 4.340 -13.904 0.000 0.208 1079 L C 2.869 179.732 176.870 -0.011 0.000 1.077 1079 L CA 1.331 56.158 54.840 -0.020 0.000 0.747 1079 L CB -0.445 41.617 42.059 0.006 0.000 0.896 1079 L HN 0.206 nan 8.230 nan 0.000 0.432 1080 R N -0.435 120.051 120.500 -0.024 0.000 2.073 1080 R HA -0.183 -4.185 4.340 -13.904 0.000 0.234 1080 R C 2.196 178.486 176.300 -0.017 0.000 1.134 1080 R CA 1.273 57.360 56.100 -0.022 0.000 0.952 1080 R CB -0.550 29.713 30.300 -0.061 0.000 0.850 1080 R HN 0.171 nan 8.270 nan 0.000 0.433 1081 L N 1.122 122.295 121.223 -0.083 0.000 2.131 1081 L HA -0.107 -4.109 4.340 -13.904 0.000 0.210 1081 L C 1.867 178.869 176.870 0.220 0.000 1.092 1081 L CA 2.059 56.914 54.840 0.025 0.000 0.759 1081 L CB -0.462 41.548 42.059 -0.082 0.000 0.903 1081 L HN 0.244 nan 8.230 nan 0.000 0.435 1082 T N -4.619 109.957 114.554 0.036 0.000 3.145 1082 T HA 0.184 -3.809 4.350 -13.904 0.000 0.255 1082 T C 0.708 175.487 174.700 0.131 0.000 1.039 1082 T CA 0.215 62.315 62.100 -0.001 0.000 0.928 1082 T CB -0.986 67.722 68.868 -0.267 0.000 1.029 1082 T HN 0.472 nan 8.240 nan 0.000 0.554 1083 N N 0.177 118.966 118.700 0.147 0.000 2.740 1083 N HA -0.165 -3.767 4.740 -13.904 0.000 0.248 1083 N C -0.547 175.008 175.510 0.075 0.000 1.062 1083 N CA 0.670 53.792 53.050 0.121 0.000 0.704 1083 N CB -0.786 37.798 38.487 0.161 0.000 0.968 1083 N HN 0.341 nan 8.380 nan 0.000 0.547 1084 K N 0.000 120.427 120.400 0.044 0.000 2.780 1084 K HA 0.000 -4.022 4.320 -13.904 0.000 0.191 1084 K CA 0.000 56.304 56.287 0.029 0.000 0.838 1084 K CB 0.000 32.503 32.500 0.005 0.000 1.064 1084 K HN 0.000 nan 8.250 nan 0.000 0.543