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 1qme_1_A DATA FIRST_RESID 71 DATA SEQUENCE TVPAKRGTIY DRNGVPIAED ATXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXSPNRSYPN GQFASSFIGL AQLHENEDGS KSLLGTSGME DATA SEQUENCE SSLNSILAGT DGXXXXXXXX XXXXXXXXXX XXXRTMDGKD VYTTISSPLQ DATA SEQUENCE SFMETQMDAF QEKVKGKYMT ATLVSAKTGE ILATTQRPTF DADTKEGITE DATA SEQUENCE DFVWRDILYQ SNYEPGSTMK VMMLAAAIDN NTFPGGEVFN SSELKIADAT DATA SEQUENCE IRDWDVNEGL TGGRMMTFSQ GFAHSSNVGM TLLEQKMGDA TWLDYLNRFK DATA SEQUENCE FGVPTRFGLT DEYAGQLPAD NIVNIAQSSF GQGISVTQTQ MIRAFTAIAN DATA SEQUENCE DGVMLEPKFI SAIYDPNDQT ARKSQKEIVG NPVSKDAASL TRTNMVLVGT DATA SEQUENCE DPVYGTMYNH STGKPTVTVP GQNVALKSGT AQIADEKNGG YLVGLTDYIF DATA SEQUENCE SAVSMSPAEN PDFILYVTVQ QPEHYSGIQL GEFANPILER ASAMKDSLNL DATA SEQUENCE XXXXXXXXXX XQQSPYPMPS VKDISPGDLA EELRRNLVQP IVVGTGTKIK DATA SEQUENCE NSSAEEGKNL APNQQVLILS DKAEEVPDMY GWTKETAETL AKWLNIELEF DATA SEQUENCE QGSGSTVQKQ DVRANTAIKD IKKITLTLGD 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 71 T HA 0.000 nan 4.350 nan 0.000 0.228 71 T C 0.000 174.701 174.700 0.002 0.000 1.109 71 T CA 0.000 62.101 62.100 0.002 0.000 1.349 71 T CB 0.000 68.871 68.868 0.005 0.000 0.612 72 V N 5.438 125.353 119.914 0.003 0.000 2.372 72 V HA 0.423 4.543 4.120 -0.000 0.000 0.261 72 V C -1.751 174.345 176.094 0.004 0.000 1.055 72 V CA -1.572 60.730 62.300 0.002 0.000 0.930 72 V CB 0.664 32.488 31.823 0.003 0.000 1.031 72 V HN 0.792 nan 8.190 nan 0.000 0.479 73 P HA 0.192 nan 4.420 nan 0.000 0.271 73 P C -0.270 177.033 177.300 0.005 0.000 1.226 73 P CA 0.058 63.161 63.100 0.005 0.000 0.765 73 P CB 1.069 32.772 31.700 0.004 0.000 0.835 74 A N 4.489 127.313 122.820 0.006 0.000 2.388 74 A HA 0.349 4.669 4.320 -0.000 0.000 0.257 74 A C 0.472 178.057 177.584 0.003 0.000 1.095 74 A CA -0.437 51.603 52.037 0.005 0.000 0.791 74 A CB -0.030 18.973 19.000 0.006 0.000 1.029 74 A HN 0.551 nan 8.150 nan 0.000 0.489 75 K N 2.080 122.481 120.400 0.002 0.000 2.350 75 K HA 0.294 4.614 4.320 -0.000 0.000 0.279 75 K C 0.070 176.665 176.600 -0.008 0.000 1.027 75 K CA -0.151 56.134 56.287 -0.004 0.000 0.969 75 K CB 0.612 33.112 32.500 -0.000 0.000 0.954 75 K HN 0.612 nan 8.250 nan 0.000 0.474 76 R N 1.968 122.456 120.500 -0.020 0.000 2.491 76 R HA 0.213 4.553 4.340 -0.000 0.000 0.283 76 R C 0.159 176.434 176.300 -0.042 0.000 1.072 76 R CA 0.063 56.147 56.100 -0.027 0.000 1.048 76 R CB 0.392 30.671 30.300 -0.036 0.000 0.983 76 R HN 0.953 nan 8.270 nan 0.000 0.450 77 G N 1.890 110.671 108.800 -0.033 0.000 2.664 77 G HA2 0.044 4.004 3.960 -0.000 0.000 0.242 77 G HA3 0.044 4.004 3.960 -0.000 0.000 0.242 77 G C -0.583 174.239 174.900 -0.130 0.000 1.225 77 G CA -0.323 44.752 45.100 -0.041 0.000 0.849 77 G HN 0.574 nan 8.290 nan 0.000 0.581 78 T N 0.495 114.911 114.554 -0.230 0.000 2.909 78 T HA 0.402 4.752 4.350 -0.000 0.000 0.286 78 T C 0.347 174.750 174.700 -0.495 0.000 1.002 78 T CA 0.020 61.836 62.100 -0.475 0.000 1.074 78 T CB 0.980 69.308 68.868 -0.900 0.000 0.984 78 T HN 0.260 nan 8.240 nan 0.000 0.495 79 I N 3.299 123.614 120.570 -0.425 0.000 2.307 79 I HA 0.338 4.508 4.170 -0.000 0.000 0.289 79 I C -0.803 175.126 176.117 -0.313 0.000 1.021 79 I CA -0.645 60.507 61.300 -0.246 0.000 1.224 79 I CB 0.496 38.448 38.000 -0.080 0.000 1.376 79 I HN 0.557 nan 8.210 nan 0.000 0.470 80 Y N 4.188 124.367 120.300 -0.203 0.000 2.568 80 Y HA 0.285 4.835 4.550 -0.000 0.000 0.327 80 Y C 0.589 176.464 175.900 -0.041 0.000 1.163 80 Y CA -0.901 57.058 58.100 -0.234 0.000 1.219 80 Y CB 0.771 38.861 38.460 -0.617 0.000 1.308 80 Y HN 0.546 nan 8.280 nan 0.000 0.503 81 D N 0.233 120.773 120.400 0.234 0.000 2.478 81 D HA 0.075 4.715 4.640 -0.000 0.000 0.269 81 D C 0.935 177.397 176.300 0.270 0.000 1.232 81 D CA -0.548 53.613 54.000 0.267 0.000 1.059 81 D CB 0.557 41.521 40.800 0.274 0.000 1.104 81 D HN 0.731 nan 8.370 nan 0.000 0.566 82 R N -0.127 120.529 120.500 0.260 0.000 2.249 82 R HA -0.103 4.237 4.340 -0.000 0.000 0.230 82 R C 0.253 176.687 176.300 0.223 0.000 1.121 82 R CA 1.330 57.579 56.100 0.249 0.000 0.997 82 R CB -0.805 29.612 30.300 0.195 0.000 0.867 82 R HN 0.386 nan 8.270 nan 0.000 0.465 83 N N -0.483 118.329 118.700 0.186 0.000 2.200 83 N HA 0.189 4.929 4.740 -0.000 0.000 0.224 83 N C 0.069 175.629 175.510 0.084 0.000 1.179 83 N CA 0.288 53.411 53.050 0.121 0.000 0.877 83 N CB 1.738 40.275 38.487 0.084 0.000 1.072 83 N HN 0.409 nan 8.380 nan 0.000 0.519 84 G N 0.152 109.000 108.800 0.079 0.000 2.157 84 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.239 84 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.239 84 G C -0.090 174.750 174.900 -0.100 0.000 0.982 84 G CA -0.284 44.661 45.100 -0.258 0.000 0.650 84 G HN 0.149 nan 8.290 nan 0.000 0.527 85 V N 2.151 122.112 119.914 0.078 0.000 2.470 85 V HA 0.328 4.448 4.120 -0.000 0.000 0.276 85 V C -1.426 174.775 176.094 0.179 0.000 1.040 85 V CA -1.138 61.226 62.300 0.106 0.000 1.008 85 V CB 1.162 33.034 31.823 0.081 0.000 0.990 85 V HN 0.118 nan 8.190 nan 0.000 0.477 86 P HA 0.179 nan 4.420 nan 0.000 0.264 86 P C 0.463 177.682 177.300 -0.135 0.000 1.193 86 P CA 0.447 63.554 63.100 0.011 0.000 0.763 86 P CB 0.681 32.360 31.700 -0.035 0.000 0.810 87 I N 1.856 122.315 120.570 -0.186 0.000 3.366 87 I HA 0.205 4.375 4.170 -0.000 0.000 0.267 87 I C 0.723 176.733 176.117 -0.179 0.000 1.149 87 I CA 0.343 61.524 61.300 -0.198 0.000 1.436 87 I CB 0.116 38.085 38.000 -0.052 0.000 1.379 87 I HN 0.238 nan 8.210 nan 0.000 0.460 88 A N 2.175 124.841 122.820 -0.257 0.000 2.375 88 A HA 0.628 4.948 4.320 -0.000 0.000 0.291 88 A C -0.644 176.681 177.584 -0.433 0.000 1.160 88 A CA -0.328 51.425 52.037 -0.473 0.000 0.747 88 A CB 0.520 19.356 19.000 -0.272 0.000 1.170 88 A HN 0.359 nan 8.150 nan 0.000 0.458 89 E N 1.987 121.922 120.200 -0.442 0.000 2.429 89 E HA 0.491 4.841 4.350 -0.000 0.000 0.276 89 E C -1.640 174.810 176.600 -0.250 0.000 0.953 89 E CA -1.014 55.195 56.400 -0.319 0.000 0.787 89 E CB 1.298 30.834 29.700 -0.274 0.000 1.307 89 E HN 0.382 nan 8.360 nan 0.000 0.458 90 D N 0.368 120.666 120.400 -0.171 0.000 2.341 90 D HA 0.482 5.122 4.640 -0.000 0.000 0.245 90 D C -0.570 175.677 176.300 -0.089 0.000 1.106 90 D CA 0.056 53.987 54.000 -0.115 0.000 0.905 90 D CB 1.576 42.329 40.800 -0.078 0.000 1.202 90 D HN 0.590 nan 8.370 nan 0.000 0.426 91 A N 0.980 123.760 122.820 -0.066 0.000 2.479 91 A HA 0.691 5.011 4.320 -0.000 0.000 0.296 91 A C 0.217 177.785 177.584 -0.027 0.000 1.121 91 A CA -0.362 51.648 52.037 -0.044 0.000 0.743 91 A CB 1.620 20.595 19.000 -0.042 0.000 1.323 91 A HN 0.617 nan 8.150 nan 0.000 0.415 184 P HA 0.521 nan 4.420 nan 0.000 0.270 184 P C -0.775 176.522 177.300 -0.005 0.000 1.223 184 P CA -0.151 62.944 63.100 -0.009 0.000 0.785 184 P CB 0.335 32.031 31.700 -0.007 0.000 0.923 185 N N 0.520 119.213 118.700 -0.013 0.000 2.308 185 N HA 0.418 5.158 4.740 -0.000 0.000 0.283 185 N C -1.455 174.035 175.510 -0.033 0.000 1.105 185 N CA -0.872 52.175 53.050 -0.006 0.000 0.840 185 N CB 1.264 39.751 38.487 -0.000 0.000 1.633 185 N HN 0.014 nan 8.380 nan 0.000 0.476 186 R N 1.608 122.097 120.500 -0.019 0.000 2.207 186 R HA 0.481 4.821 4.340 -0.000 0.000 0.334 186 R C -0.985 175.211 176.300 -0.174 0.000 1.013 186 R CA -0.307 55.722 56.100 -0.119 0.000 0.858 186 R CB 0.563 30.839 30.300 -0.040 0.000 1.094 186 R HN 0.483 nan 8.270 nan 0.000 0.457 187 S N 3.866 119.385 115.700 -0.303 0.000 2.508 187 S HA 0.413 4.883 4.470 -0.000 0.000 0.284 187 S C -1.218 173.103 174.600 -0.465 0.000 1.192 187 S CA -0.441 57.622 58.200 -0.228 0.000 1.070 187 S CB 0.354 63.473 63.200 -0.135 0.000 1.004 187 S HN 0.566 nan 8.310 nan 0.000 0.493 188 Y N 5.305 125.591 120.300 -0.023 0.000 2.748 188 Y HA 0.345 4.895 4.550 -0.000 0.000 0.359 188 Y C -1.530 174.335 175.900 -0.057 0.000 1.030 188 Y CA -1.852 56.222 58.100 -0.042 0.000 1.169 188 Y CB 1.093 39.557 38.460 0.007 0.000 1.127 188 Y HN 0.568 nan 8.280 nan 0.000 0.644 189 P HA -0.198 nan 4.420 nan 0.000 0.222 189 P C 0.308 177.591 177.300 -0.029 0.000 1.142 189 P CA 1.491 64.577 63.100 -0.022 0.000 0.788 189 P CB 0.521 32.186 31.700 -0.057 0.000 0.767 190 N N -0.768 117.883 118.700 -0.083 0.000 2.336 190 N HA 0.035 4.775 4.740 -0.000 0.000 0.189 190 N C 1.586 177.135 175.510 0.065 0.000 1.113 190 N CA 0.976 53.978 53.050 -0.080 0.000 0.858 190 N CB 0.272 38.488 38.487 -0.451 0.000 0.970 190 N HN 0.189 nan 8.380 nan 0.000 0.471 191 G N 1.891 110.739 108.800 0.080 0.000 2.602 191 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.310 191 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.310 191 G C -0.048 174.898 174.900 0.077 0.000 1.183 191 G CA 0.149 45.302 45.100 0.088 0.000 0.979 191 G HN 0.444 nan 8.290 nan 0.000 0.545 192 Q N 0.715 120.554 119.800 0.066 0.000 2.348 192 Q HA 0.532 4.872 4.340 -0.000 0.000 0.251 192 Q C -1.417 174.666 176.000 0.137 0.000 1.113 192 Q CA -0.350 55.458 55.803 0.008 0.000 0.902 192 Q CB -0.220 28.515 28.738 -0.006 0.000 1.333 192 Q HN 0.659 nan 8.270 nan 0.000 0.457 193 F N 3.558 123.458 119.950 -0.083 0.000 3.051 193 F HA 0.391 4.918 4.527 -0.000 0.000 0.363 193 F C -0.098 175.705 175.800 0.005 0.000 1.257 193 F CA 0.109 58.107 58.000 -0.003 0.000 1.126 193 F CB 0.714 39.745 39.000 0.052 0.000 1.476 193 F HN 0.653 nan 8.300 nan 0.000 0.576 194 A N 3.338 126.116 122.820 -0.069 0.000 2.665 194 A HA -0.282 4.038 4.320 -0.000 0.000 0.301 194 A C 1.639 179.291 177.584 0.113 0.000 1.509 194 A CA 1.291 53.344 52.037 0.027 0.000 0.789 194 A CB -2.194 16.858 19.000 0.086 0.000 1.024 194 A HN 0.920 nan 8.150 nan 0.000 0.460 195 S N -0.197 115.442 115.700 -0.103 0.000 2.369 195 S HA -0.246 4.224 4.470 -0.000 0.000 0.225 195 S C 2.189 176.761 174.600 -0.046 0.000 1.043 195 S CA 1.897 59.874 58.200 -0.372 0.000 1.074 195 S CB -0.363 62.034 63.200 -1.339 0.000 0.962 195 S HN 0.937 nan 8.310 nan 0.000 0.433 196 S N 0.775 116.525 115.700 0.083 0.000 2.356 196 S HA -0.046 4.424 4.470 -0.000 0.000 0.223 196 S C 1.534 176.364 174.600 0.383 0.000 1.032 196 S CA 1.103 59.518 58.200 0.358 0.000 1.005 196 S CB -0.480 62.903 63.200 0.304 0.000 0.867 196 S HN 0.477 nan 8.310 nan 0.000 0.449 197 F N 2.617 122.665 119.950 0.163 0.000 2.069 197 F HA -0.135 4.392 4.527 -0.000 0.000 0.298 197 F C 1.926 177.811 175.800 0.142 0.000 1.113 197 F CA 1.152 59.251 58.000 0.165 0.000 1.214 197 F CB -0.459 38.619 39.000 0.129 0.000 0.978 197 F HN 0.096 nan 8.300 nan 0.000 0.474 198 I N 0.099 120.782 120.570 0.188 0.000 2.226 198 I HA 0.002 4.172 4.170 -0.000 0.000 0.245 198 I C 1.746 177.934 176.117 0.117 0.000 1.100 198 I CA 1.505 62.866 61.300 0.102 0.000 1.374 198 I CB -2.083 36.068 38.000 0.251 0.000 1.057 198 I HN 0.345 nan 8.210 nan 0.000 0.413 199 G N 1.110 110.036 108.800 0.210 0.000 2.681 199 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.220 199 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.220 199 G C -0.657 174.359 174.900 0.193 0.000 1.353 199 G CA -0.389 44.857 45.100 0.244 0.000 0.872 199 G HN 0.257 nan 8.290 nan 0.000 0.557 200 L N -0.379 120.932 121.223 0.146 0.000 2.371 200 L HA 0.799 5.139 4.340 -0.000 0.000 0.262 200 L C 0.410 177.360 176.870 0.134 0.000 1.006 200 L CA -0.694 54.229 54.840 0.139 0.000 0.818 200 L CB 2.346 44.426 42.059 0.035 0.000 1.354 200 L HN 1.416 nan 8.230 nan 0.000 0.415 201 A N 1.977 124.924 122.820 0.211 0.000 2.304 201 A HA 0.738 5.058 4.320 -0.000 0.000 0.314 201 A C -0.869 176.775 177.584 0.100 0.000 1.187 201 A CA -0.454 51.651 52.037 0.113 0.000 0.810 201 A CB 1.090 20.147 19.000 0.095 0.000 1.183 201 A HN 0.735 nan 8.150 nan 0.000 0.487 202 Q N 0.799 120.628 119.800 0.048 0.000 2.359 202 Q HA 0.545 4.885 4.340 -0.000 0.000 0.275 202 Q C -1.063 174.965 176.000 0.047 0.000 1.082 202 Q CA -1.198 54.631 55.803 0.042 0.000 0.849 202 Q CB 2.221 30.962 28.738 0.006 0.000 1.377 202 Q HN 0.653 nan 8.270 nan 0.000 0.452 203 L N 1.606 122.856 121.223 0.046 0.000 2.410 203 L HA 0.170 4.510 4.340 -0.000 0.000 0.273 203 L C -0.968 175.953 176.870 0.086 0.000 1.152 203 L CA 0.541 55.410 54.840 0.050 0.000 0.855 203 L CB 0.060 42.133 42.059 0.024 0.000 1.129 203 L HN 0.582 nan 8.230 nan 0.000 0.463 204 H N 3.351 122.415 119.070 -0.010 0.000 2.658 204 H HA 0.373 4.929 4.556 -0.000 0.000 0.337 204 H C -1.090 174.232 175.328 -0.009 0.000 1.009 204 H CA -0.644 55.397 56.048 -0.012 0.000 1.231 204 H CB 1.071 30.825 29.762 -0.013 0.000 1.508 204 H HN 0.737 nan 8.280 nan 0.000 0.517 205 E N 4.828 124.683 120.200 -0.575 0.000 2.152 205 E HA 0.144 4.494 4.350 -0.000 0.000 0.285 205 E C -0.424 175.811 176.600 -0.608 0.000 1.043 205 E CA -0.714 55.429 56.400 -0.428 0.000 0.839 205 E CB 0.424 29.985 29.700 -0.230 0.000 1.069 205 E HN 0.640 nan 8.360 nan 0.000 0.399 206 N N 3.043 121.542 118.700 -0.335 0.000 2.381 206 N HA -0.067 4.673 4.740 -0.000 0.000 0.254 206 N C 0.852 176.303 175.510 -0.099 0.000 1.264 206 N CA -0.026 52.923 53.050 -0.167 0.000 0.942 206 N CB 0.764 39.227 38.487 -0.040 0.000 1.190 206 N HN 0.679 nan 8.380 nan 0.000 0.495 207 E N 0.613 120.794 120.200 -0.032 0.000 2.058 207 E HA -0.236 4.113 4.350 -0.000 0.000 0.194 207 E C 0.056 176.642 176.600 -0.024 0.000 0.997 207 E CA 1.599 57.987 56.400 -0.020 0.000 0.801 207 E CB -0.100 29.602 29.700 0.003 0.000 0.746 207 E HN 0.626 nan 8.360 nan 0.000 0.450 208 D N -1.285 119.104 120.400 -0.018 0.000 2.368 208 D HA 0.027 4.667 4.640 -0.000 0.000 0.250 208 D C 1.164 177.450 176.300 -0.024 0.000 1.142 208 D CA 0.817 54.808 54.000 -0.016 0.000 0.925 208 D CB -0.091 40.703 40.800 -0.009 0.000 0.896 208 D HN 0.402 nan 8.370 nan 0.000 0.525 209 G N -0.092 108.685 108.800 -0.038 0.000 2.245 209 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.264 209 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.264 209 G C 0.510 175.382 174.900 -0.047 0.000 0.985 209 G CA 0.464 45.539 45.100 -0.043 0.000 0.625 209 G HN 0.895 nan 8.290 nan 0.000 0.536 210 S N 0.065 115.740 115.700 -0.042 0.000 2.565 210 S HA 0.666 5.136 4.470 -0.000 0.000 0.276 210 S C 0.106 174.673 174.600 -0.055 0.000 1.326 210 S CA -0.116 58.062 58.200 -0.036 0.000 1.045 210 S CB 1.836 65.024 63.200 -0.020 0.000 0.918 210 S HN 0.512 nan 8.310 nan 0.000 0.505 211 K N 1.424 121.798 120.400 -0.044 0.000 2.098 211 K HA 0.651 4.971 4.320 -0.000 0.000 0.258 211 K C -0.142 176.450 176.600 -0.013 0.000 0.973 211 K CA -0.577 55.681 56.287 -0.049 0.000 0.898 211 K CB 1.598 34.075 32.500 -0.038 0.000 1.057 211 K HN 0.888 nan 8.250 nan 0.000 0.447 212 S N 0.864 116.571 115.700 0.012 0.000 2.638 212 S HA 0.578 5.048 4.470 -0.000 0.000 0.274 212 S C -1.592 173.043 174.600 0.058 0.000 1.157 212 S CA -1.011 57.213 58.200 0.040 0.000 0.826 212 S CB 0.828 64.068 63.200 0.066 0.000 1.139 212 S HN 0.201 nan 8.310 nan 0.000 0.474 213 L N 1.557 122.806 121.223 0.043 0.000 2.322 213 L HA 0.646 4.986 4.340 -0.000 0.000 0.281 213 L C -0.920 175.970 176.870 0.034 0.000 1.014 213 L CA -0.611 54.252 54.840 0.039 0.000 0.815 213 L CB 1.390 43.460 42.059 0.019 0.000 1.247 213 L HN 0.656 nan 8.230 nan 0.000 0.421 214 L N 2.349 123.590 121.223 0.031 0.000 2.365 214 L HA 0.586 4.926 4.340 -0.000 0.000 0.273 214 L C 0.594 177.463 176.870 -0.002 0.000 1.000 214 L CA -0.375 54.467 54.840 0.002 0.000 0.819 214 L CB 1.683 43.724 42.059 -0.030 0.000 1.284 214 L HN 0.677 nan 8.230 nan 0.000 0.418 215 G N 0.732 109.530 108.800 -0.004 0.000 2.365 215 G HA2 0.339 4.299 3.960 -0.000 0.000 0.249 215 G HA3 0.339 4.299 3.960 -0.000 0.000 0.249 215 G C 0.772 175.652 174.900 -0.033 0.000 1.288 215 G CA 0.285 45.385 45.100 0.000 0.000 0.887 215 G HN 0.783 nan 8.290 nan 0.000 0.524 216 T N -1.884 112.637 114.554 -0.055 0.000 3.001 216 T HA 0.410 4.760 4.350 -0.000 0.000 0.251 216 T C 0.920 175.532 174.700 -0.147 0.000 1.040 216 T CA 0.563 62.589 62.100 -0.123 0.000 0.985 216 T CB 0.029 68.785 68.868 -0.188 0.000 1.011 216 T HN 1.238 nan 8.240 nan 0.000 0.509 217 S N -1.076 114.582 115.700 -0.070 0.000 2.636 217 S HA 0.636 5.106 4.470 -0.000 0.000 0.266 217 S C 0.472 175.116 174.600 0.074 0.000 1.147 217 S CA -0.294 57.904 58.200 -0.005 0.000 0.815 217 S CB 0.919 64.102 63.200 -0.029 0.000 1.119 217 S HN 1.389 nan 8.310 nan 0.000 0.470 218 G N 1.333 110.210 108.800 0.129 0.000 2.581 218 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.291 218 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.291 218 G C 0.777 175.640 174.900 -0.061 0.000 1.277 218 G CA 0.662 45.813 45.100 0.086 0.000 0.959 218 G HN 1.121 nan 8.290 nan 0.000 0.554 219 M N -0.886 118.592 119.600 -0.203 0.000 2.108 219 M HA -0.096 4.384 4.480 -0.000 0.000 0.261 219 M C 2.455 178.707 176.300 -0.080 0.000 1.066 219 M CA 2.522 57.671 55.300 -0.252 0.000 1.107 219 M CB -0.402 32.004 32.600 -0.324 0.000 1.356 219 M HN 0.715 nan 8.290 nan 0.000 0.406 220 E N -0.260 119.933 120.200 -0.012 0.000 2.130 220 E HA -0.211 4.139 4.350 -0.000 0.000 0.196 220 E C 2.009 178.615 176.600 0.010 0.000 0.998 220 E CA 1.920 58.337 56.400 0.029 0.000 0.806 220 E CB -0.074 29.682 29.700 0.093 0.000 0.738 220 E HN 0.380 nan 8.360 nan 0.000 0.459 221 S N -1.473 114.227 115.700 0.000 0.000 2.371 221 S HA -0.012 4.458 4.470 -0.000 0.000 0.221 221 S C 2.072 176.667 174.600 -0.008 0.000 1.036 221 S CA 1.055 59.251 58.200 -0.006 0.000 0.965 221 S CB -0.338 62.858 63.200 -0.006 0.000 0.845 221 S HN 0.253 nan 8.310 nan 0.000 0.475 222 S N 1.147 116.835 115.700 -0.021 0.000 2.399 222 S HA 0.073 4.543 4.470 -0.000 0.000 0.231 222 S C 1.051 175.649 174.600 -0.004 0.000 1.022 222 S CA 0.922 59.109 58.200 -0.022 0.000 0.983 222 S CB -0.221 62.933 63.200 -0.076 0.000 0.803 222 S HN 0.359 nan 8.310 nan 0.000 0.480 223 L N 1.651 122.873 121.223 -0.002 0.000 2.741 223 L HA 0.324 4.664 4.340 -0.000 0.000 0.237 223 L C 1.405 178.283 176.870 0.013 0.000 1.178 223 L CA 0.065 54.916 54.840 0.018 0.000 0.973 223 L CB -1.192 40.889 42.059 0.037 0.000 1.255 223 L HN 0.149 nan 8.230 nan 0.000 0.498 224 N N 0.342 119.046 118.700 0.007 0.000 2.021 224 N HA -0.276 4.464 4.740 -0.000 0.000 0.198 224 N C 2.116 177.631 175.510 0.009 0.000 1.041 224 N CA 2.095 55.148 53.050 0.005 0.000 0.862 224 N CB 0.149 38.636 38.487 -0.001 0.000 1.048 224 N HN 0.383 nan 8.380 nan 0.000 0.427 225 S N -0.159 115.548 115.700 0.013 0.000 2.383 225 S HA -0.144 4.326 4.470 -0.000 0.000 0.229 225 S C 2.124 176.737 174.600 0.022 0.000 1.030 225 S CA 1.229 59.440 58.200 0.018 0.000 1.002 225 S CB -0.825 62.390 63.200 0.025 0.000 0.829 225 S HN 0.419 nan 8.310 nan 0.000 0.467 226 I N 1.333 121.917 120.570 0.024 0.000 2.226 226 I HA -0.130 4.040 4.170 -0.000 0.000 0.245 226 I C 2.411 178.540 176.117 0.021 0.000 1.100 226 I CA 1.267 62.582 61.300 0.025 0.000 1.374 226 I CB -0.354 37.658 38.000 0.021 0.000 1.057 226 I HN 0.278 nan 8.210 nan 0.000 0.413 227 L N 0.179 121.411 121.223 0.015 0.000 2.179 227 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 227 L C 2.788 179.660 176.870 0.002 0.000 1.096 227 L CA 0.924 55.767 54.840 0.006 0.000 0.779 227 L CB -0.644 41.413 42.059 -0.003 0.000 0.922 227 L HN 0.190 nan 8.230 nan 0.000 0.443 228 A N -0.034 122.789 122.820 0.005 0.000 1.930 228 A HA 0.196 4.516 4.320 -0.000 0.000 0.217 228 A C 1.568 179.156 177.584 0.006 0.000 1.175 228 A CA 1.219 53.259 52.037 0.005 0.000 0.627 228 A CB -0.766 18.238 19.000 0.007 0.000 0.815 228 A HN 0.490 nan 8.150 nan 0.000 0.443 229 G N -2.194 106.612 108.800 0.009 0.000 2.562 229 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.250 229 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.250 229 G C -0.123 174.782 174.900 0.008 0.000 1.269 229 G CA 0.009 45.113 45.100 0.008 0.000 0.919 229 G HN 1.116 nan 8.290 nan 0.000 0.574 230 T N 1.293 115.851 114.554 0.006 0.000 2.928 230 T HA 0.560 4.910 4.350 -0.000 0.000 0.296 230 T C -0.854 173.849 174.700 0.006 0.000 1.000 230 T CA -0.271 61.832 62.100 0.006 0.000 0.989 230 T CB 1.667 70.538 68.868 0.004 0.000 1.005 230 T HN 0.687 nan 8.240 nan 0.000 0.442 231 D N 1.306 121.710 120.400 0.007 0.000 2.362 231 D HA 0.481 5.121 4.640 -0.000 0.000 0.242 231 D C 0.952 177.255 176.300 0.005 0.000 1.132 231 D CA 0.059 54.063 54.000 0.007 0.000 0.907 231 D CB 0.570 41.376 40.800 0.009 0.000 1.195 231 D HN 0.605 nan 8.370 nan 0.000 0.429 255 T N 4.218 118.773 114.554 0.002 0.000 2.799 255 T HA 0.245 4.595 4.350 -0.000 0.000 0.296 255 T C 0.442 175.143 174.700 0.002 0.000 0.947 255 T CA 0.028 62.129 62.100 0.003 0.000 1.141 255 T CB 0.360 69.231 68.868 0.004 0.000 0.891 255 T HN 0.207 nan 8.240 nan 0.000 0.533 256 M N 3.848 123.448 119.600 0.001 0.000 2.044 256 M HA 0.292 4.772 4.480 -0.000 0.000 0.333 256 M C -0.197 176.104 176.300 0.001 0.000 1.004 256 M CA -1.070 54.229 55.300 -0.002 0.000 0.954 256 M CB 1.012 33.610 32.600 -0.003 0.000 1.468 256 M HN 0.452 nan 8.290 nan 0.000 0.414 257 D N 1.998 122.399 120.400 0.002 0.000 2.400 257 D HA 0.237 4.877 4.640 -0.000 0.000 0.238 257 D C 0.836 177.139 176.300 0.006 0.000 1.157 257 D CA 0.536 54.541 54.000 0.007 0.000 0.889 257 D CB 0.984 41.794 40.800 0.017 0.000 1.199 257 D HN 0.729 nan 8.370 nan 0.000 0.436 258 G N 1.049 109.854 108.800 0.009 0.000 2.614 258 G HA2 0.113 4.073 3.960 -0.000 0.000 0.239 258 G HA3 0.113 4.073 3.960 -0.000 0.000 0.239 258 G C 0.059 174.972 174.900 0.021 0.000 1.240 258 G CA -0.362 44.744 45.100 0.010 0.000 0.842 258 G HN 0.298 nan 8.290 nan 0.000 0.584 259 K N 0.428 120.844 120.400 0.026 0.000 2.118 259 K HA 0.229 4.549 4.320 -0.000 0.000 0.264 259 K C -0.657 176.001 176.600 0.095 0.000 1.000 259 K CA -0.587 55.731 56.287 0.052 0.000 0.929 259 K CB 0.980 33.503 32.500 0.039 0.000 1.021 259 K HN 0.405 nan 8.250 nan 0.000 0.463 260 D N 1.133 121.657 120.400 0.205 0.000 2.210 260 D HA 0.202 4.842 4.640 -0.000 0.000 0.249 260 D C -0.753 175.699 176.300 0.254 0.000 1.062 260 D CA -0.285 53.844 54.000 0.214 0.000 0.891 260 D CB 1.745 42.796 40.800 0.419 0.000 1.186 260 D HN -0.001 nan 8.370 nan 0.000 0.432 261 V N 3.092 123.084 119.914 0.131 0.000 2.350 261 V HA 0.140 4.260 4.120 -0.000 0.000 0.285 261 V C -0.874 175.334 176.094 0.189 0.000 1.014 261 V CA -0.768 61.643 62.300 0.186 0.000 0.831 261 V CB 0.581 32.470 31.823 0.109 0.000 1.000 261 V HN 0.369 nan 8.190 nan 0.000 0.433 262 Y N 3.520 123.945 120.300 0.210 0.000 2.477 262 Y HA 0.390 4.940 4.550 0.000 0.000 0.349 262 Y C 1.389 177.396 175.900 0.179 0.000 0.977 262 Y CA -0.500 57.731 58.100 0.220 0.000 1.214 262 Y CB 0.956 39.505 38.460 0.149 0.000 1.124 262 Y HN 0.773 nan 8.280 nan 0.000 0.521 263 T N -2.328 112.406 114.554 0.301 0.000 2.732 263 T HA 0.076 4.426 4.350 -0.000 0.000 0.287 263 T C 1.312 176.189 174.700 0.295 0.000 0.993 263 T CA -0.023 62.260 62.100 0.306 0.000 0.966 263 T CB 0.922 69.999 68.868 0.347 0.000 1.047 263 T HN 0.659 nan 8.240 nan 0.000 0.527 264 T N -1.805 112.929 114.554 0.301 0.000 3.129 264 T HA 0.252 4.602 4.350 -0.000 0.000 0.251 264 T C 0.920 175.774 174.700 0.258 0.000 1.117 264 T CA -0.306 61.946 62.100 0.254 0.000 1.034 264 T CB -0.665 68.350 68.868 0.245 0.000 0.968 264 T HN 0.578 nan 8.240 nan 0.000 0.526 265 I N 2.486 123.236 120.570 0.300 0.000 2.710 265 I HA 0.081 4.251 4.170 -0.000 0.000 0.286 265 I C 0.607 176.873 176.117 0.248 0.000 1.181 265 I CA -0.077 61.387 61.300 0.273 0.000 1.430 265 I CB 0.804 39.007 38.000 0.339 0.000 1.367 265 I HN 0.164 nan 8.210 nan 0.000 0.577 266 S N 4.316 120.133 115.700 0.196 0.000 2.466 266 S HA 0.146 4.616 4.470 -0.000 0.000 0.313 266 S C 1.214 175.934 174.600 0.200 0.000 1.078 266 S CA -0.455 57.851 58.200 0.177 0.000 1.115 266 S CB 0.584 63.862 63.200 0.130 0.000 1.006 266 S HN 0.769 nan 8.310 nan 0.000 0.487 267 S N 6.146 122.023 115.700 0.295 0.000 2.372 267 S HA -0.082 4.388 4.470 -0.000 0.000 0.227 267 S C -0.589 174.188 174.600 0.296 0.000 1.044 267 S CA 1.409 59.872 58.200 0.439 0.000 1.050 267 S CB -1.757 61.671 63.200 0.381 0.000 0.901 267 S HN 0.705 nan 8.310 nan 0.000 0.447 268 P HA -0.036 nan 4.420 nan 0.000 0.216 268 P C 1.531 178.896 177.300 0.108 0.000 1.150 268 P CA 0.785 63.955 63.100 0.116 0.000 0.837 268 P CB -0.136 31.596 31.700 0.054 0.000 0.786 269 L N -0.237 121.040 121.223 0.089 0.000 2.109 269 L HA -0.078 4.262 4.340 -0.000 0.000 0.207 269 L C 2.795 179.694 176.870 0.049 0.000 1.086 269 L CA 1.734 56.616 54.840 0.070 0.000 0.760 269 L CB -1.932 40.142 42.059 0.025 0.000 0.910 269 L HN -0.049 nan 8.230 nan 0.000 0.437 270 Q N -0.983 118.814 119.800 -0.006 0.000 2.079 270 Q HA -0.117 4.223 4.340 -0.000 0.000 0.200 270 Q C 2.330 178.253 176.000 -0.128 0.000 0.974 270 Q CA 1.980 57.656 55.803 -0.210 0.000 0.840 270 Q CB -0.123 28.232 28.738 -0.638 0.000 0.898 270 Q HN 0.388 nan 8.270 nan 0.000 0.430 271 S N -0.105 115.649 115.700 0.090 0.000 2.368 271 S HA -0.103 4.367 4.470 -0.000 0.000 0.225 271 S C 1.432 176.147 174.600 0.193 0.000 1.030 271 S CA 1.093 59.410 58.200 0.196 0.000 0.999 271 S CB -0.507 62.847 63.200 0.255 0.000 0.844 271 S HN 0.485 nan 8.310 nan 0.000 0.459 272 F N 2.043 121.990 119.950 -0.006 0.000 2.146 272 F HA 0.031 4.558 4.527 -0.000 0.000 0.298 272 F C 2.200 177.967 175.800 -0.056 0.000 1.096 272 F CA 1.176 59.154 58.000 -0.036 0.000 1.275 272 F CB -0.615 38.344 39.000 -0.068 0.000 1.008 272 F HN 0.155 nan 8.300 nan 0.000 0.480 273 M N -0.161 119.404 119.600 -0.059 0.000 2.117 273 M HA -0.190 4.290 4.480 -0.000 0.000 0.262 273 M C 2.068 178.353 176.300 -0.026 0.000 1.065 273 M CA 1.759 56.973 55.300 -0.143 0.000 1.114 273 M CB -0.331 32.224 32.600 -0.075 0.000 1.361 273 M HN -0.018 nan 8.290 nan 0.000 0.408 274 E N -0.053 120.140 120.200 -0.011 0.000 2.070 274 E HA -0.187 4.163 4.350 -0.000 0.000 0.197 274 E C 1.990 178.612 176.600 0.038 0.000 1.004 274 E CA 2.052 58.462 56.400 0.017 0.000 0.805 274 E CB -0.817 28.898 29.700 0.026 0.000 0.744 274 E HN 0.533 nan 8.360 nan 0.000 0.451 275 T N 1.606 116.177 114.554 0.028 0.000 2.777 275 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 275 T C 1.817 176.510 174.700 -0.012 0.000 1.040 275 T CA 0.970 63.086 62.100 0.026 0.000 1.141 275 T CB -0.009 68.902 68.868 0.071 0.000 0.868 275 T HN 0.079 nan 8.240 nan 0.000 0.444 276 Q N 0.334 120.055 119.800 -0.131 0.000 2.084 276 Q HA -0.026 4.314 4.340 -0.000 0.000 0.202 276 Q C 2.295 178.477 176.000 0.304 0.000 0.978 276 Q CA 1.172 56.911 55.803 -0.106 0.000 0.844 276 Q CB -0.475 27.937 28.738 -0.543 0.000 0.898 276 Q HN 0.422 nan 8.270 nan 0.000 0.426 277 M N 1.321 121.150 119.600 0.381 0.000 2.229 277 M HA -0.122 4.358 4.480 -0.000 0.000 0.264 277 M C 0.937 177.314 176.300 0.128 0.000 1.063 277 M CA 1.492 56.967 55.300 0.291 0.000 1.114 277 M CB -0.268 32.437 32.600 0.176 0.000 1.387 277 M HN -0.020 nan 8.290 nan 0.000 0.420 278 D N 0.202 120.656 120.400 0.091 0.000 2.097 278 D HA -0.089 4.551 4.640 -0.000 0.000 0.195 278 D C 1.979 178.314 176.300 0.058 0.000 0.989 278 D CA 1.846 55.874 54.000 0.047 0.000 0.827 278 D CB -0.451 40.372 40.800 0.039 0.000 0.966 278 D HN 0.489 nan 8.370 nan 0.000 0.456 279 A N 0.571 123.446 122.820 0.091 0.000 1.902 279 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 279 A C 2.047 179.723 177.584 0.153 0.000 1.181 279 A CA 0.857 52.950 52.037 0.094 0.000 0.623 279 A CB -0.857 18.190 19.000 0.079 0.000 0.818 279 A HN 0.202 nan 8.150 nan 0.000 0.443 280 F N 0.774 120.719 119.950 -0.009 0.000 2.171 280 F HA -0.133 4.394 4.527 -0.000 0.000 0.300 280 F C 2.280 178.018 175.800 -0.103 0.000 1.090 280 F CA 1.952 59.911 58.000 -0.069 0.000 1.293 280 F CB -0.644 38.245 39.000 -0.184 0.000 1.013 280 F HN 0.367 nan 8.300 nan 0.000 0.486 281 Q N 0.478 120.205 119.800 -0.122 0.000 2.172 281 Q HA -0.141 4.199 4.340 -0.000 0.000 0.200 281 Q C 1.991 177.907 176.000 -0.138 0.000 0.964 281 Q CA 1.631 57.295 55.803 -0.231 0.000 0.855 281 Q CB -0.390 28.252 28.738 -0.160 0.000 0.918 281 Q HN 0.280 nan 8.270 nan 0.000 0.444 282 E N 0.454 120.622 120.200 -0.053 0.000 2.106 282 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 282 E C 1.734 178.325 176.600 -0.016 0.000 0.984 282 E CA 1.111 57.494 56.400 -0.028 0.000 0.806 282 E CB 0.042 29.743 29.700 0.001 0.000 0.750 282 E HN 0.470 nan 8.360 nan 0.000 0.458 283 K N 0.210 120.609 120.400 -0.001 0.000 2.031 283 K HA -0.064 4.256 4.320 -0.000 0.000 0.205 283 K C 2.228 178.837 176.600 0.014 0.000 1.049 283 K CA 1.519 57.820 56.287 0.023 0.000 0.939 283 K CB 0.028 32.571 32.500 0.072 0.000 0.717 283 K HN 0.107 nan 8.250 nan 0.000 0.438 284 V N -2.220 117.636 119.914 -0.096 0.000 3.431 284 V HA 0.131 4.251 4.120 -0.000 0.000 0.253 284 V C -0.156 175.820 176.094 -0.195 0.000 1.184 284 V CA -0.320 61.897 62.300 -0.137 0.000 1.104 284 V CB -0.146 31.524 31.823 -0.255 0.000 0.799 284 V HN 0.153 nan 8.190 nan 0.000 0.462 285 K N 1.318 121.593 120.400 -0.208 0.000 3.257 285 K HA -0.141 4.179 4.320 -0.000 0.000 0.270 285 K C 0.574 177.028 176.600 -0.243 0.000 0.984 285 K CA 1.004 57.169 56.287 -0.204 0.000 0.739 285 K CB -2.378 30.021 32.500 -0.168 0.000 1.351 285 K HN 0.927 nan 8.250 nan 0.000 0.463 286 G N 0.591 109.220 108.800 -0.284 0.000 2.539 286 G HA2 0.154 4.114 3.960 -0.000 0.000 0.258 286 G HA3 0.154 4.114 3.960 -0.000 0.000 0.258 286 G C 1.071 175.802 174.900 -0.282 0.000 1.202 286 G CA -0.068 44.869 45.100 -0.271 0.000 0.851 286 G HN 0.313 nan 8.290 nan 0.000 0.556 287 K N -0.353 119.861 120.400 -0.310 0.000 2.025 287 K HA -0.030 4.290 4.320 -0.000 0.000 0.207 287 K C -0.415 175.769 176.600 -0.694 0.000 1.049 287 K CA 0.921 56.902 56.287 -0.509 0.000 0.933 287 K CB -0.098 32.082 32.500 -0.533 0.000 0.714 287 K HN 0.451 nan 8.250 nan 0.000 0.438 288 Y N -0.060 120.132 120.300 -0.180 0.000 2.442 288 Y HA 0.398 4.948 4.550 0.000 0.000 0.344 288 Y C -0.206 175.560 175.900 -0.224 0.000 0.976 288 Y CA -1.143 56.839 58.100 -0.197 0.000 1.040 288 Y CB 1.865 40.207 38.460 -0.196 0.000 1.228 288 Y HN -0.086 nan 8.280 nan 0.000 0.451 289 M N 2.234 121.796 119.600 -0.063 0.000 2.535 289 M HA 0.656 5.136 4.480 -0.000 0.000 0.314 289 M C -0.779 175.433 176.300 -0.146 0.000 1.153 289 M CA -0.494 54.705 55.300 -0.168 0.000 0.924 289 M CB 2.251 34.709 32.600 -0.237 0.000 1.710 289 M HN 0.646 nan 8.290 nan 0.000 0.451 290 T N 1.380 115.828 114.554 -0.176 0.000 2.932 290 T HA 0.845 5.195 4.350 -0.000 0.000 0.318 290 T C -1.631 172.991 174.700 -0.129 0.000 1.265 290 T CA -0.651 61.355 62.100 -0.158 0.000 1.036 290 T CB 2.354 71.093 68.868 -0.214 0.000 1.209 290 T HN 0.798 nan 8.240 nan 0.000 0.484 291 A N 1.851 124.640 122.820 -0.052 0.000 2.513 291 A HA 0.744 5.064 4.320 -0.000 0.000 0.296 291 A C -0.843 176.774 177.584 0.054 0.000 1.052 291 A CA -0.699 51.371 52.037 0.055 0.000 0.714 291 A CB 1.551 20.698 19.000 0.245 0.000 1.279 291 A HN 0.643 nan 8.150 nan 0.000 0.397 292 T N 2.861 117.471 114.554 0.092 0.000 2.928 292 T HA 0.495 4.845 4.350 -0.000 0.000 0.296 292 T C -0.984 173.789 174.700 0.122 0.000 1.000 292 T CA -0.308 61.842 62.100 0.084 0.000 0.989 292 T CB 1.137 70.069 68.868 0.107 0.000 1.005 292 T HN 0.599 nan 8.240 nan 0.000 0.442 293 L N 4.519 125.792 121.223 0.084 0.000 2.272 293 L HA 0.745 5.085 4.340 -0.000 0.000 0.289 293 L C -0.987 175.972 176.870 0.147 0.000 1.032 293 L CA -0.573 54.328 54.840 0.101 0.000 0.810 293 L CB 0.933 43.014 42.059 0.037 0.000 1.205 293 L HN 0.424 nan 8.230 nan 0.000 0.422 294 V N 2.765 122.795 119.914 0.194 0.000 2.823 294 V HA 0.321 4.441 4.120 -0.000 0.000 0.312 294 V C 0.021 176.253 176.094 0.230 0.000 1.072 294 V CA -0.699 61.721 62.300 0.200 0.000 0.937 294 V CB 2.124 34.055 31.823 0.180 0.000 1.013 294 V HN 0.779 nan 8.190 nan 0.000 0.430 295 S N 1.975 117.787 115.700 0.187 0.000 2.474 295 S HA 0.449 4.919 4.470 -0.000 0.000 0.276 295 S C 1.208 175.843 174.600 0.058 0.000 1.227 295 S CA 0.103 58.370 58.200 0.111 0.000 1.050 295 S CB 1.175 64.430 63.200 0.091 0.000 0.939 295 S HN 1.037 nan 8.310 nan 0.000 0.490 296 A N 6.030 128.847 122.820 -0.005 0.000 2.015 296 A HA 0.001 4.321 4.320 -0.000 0.000 0.219 296 A C 2.065 179.652 177.584 0.005 0.000 1.163 296 A CA 0.977 53.019 52.037 0.008 0.000 0.646 296 A CB -0.220 18.764 19.000 -0.026 0.000 0.806 296 A HN 0.773 nan 8.150 nan 0.000 0.448 297 K N -0.578 119.807 120.400 -0.025 0.000 2.305 297 K HA -0.009 4.311 4.320 -0.000 0.000 0.199 297 K C 1.547 178.160 176.600 0.022 0.000 1.047 297 K CA 1.604 57.886 56.287 -0.008 0.000 0.976 297 K CB -0.163 32.316 32.500 -0.035 0.000 0.765 297 K HN 0.703 nan 8.250 nan 0.000 0.474 298 T N -4.959 109.617 114.554 0.036 0.000 2.986 298 T HA 0.244 4.594 4.350 -0.000 0.000 0.264 298 T C 1.289 176.035 174.700 0.077 0.000 0.964 298 T CA 0.624 62.756 62.100 0.054 0.000 0.895 298 T CB 0.668 69.568 68.868 0.054 0.000 1.163 298 T HN 0.195 nan 8.240 nan 0.000 0.517 299 G N 1.736 110.590 108.800 0.090 0.000 2.162 299 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.260 299 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.260 299 G C -0.263 174.723 174.900 0.144 0.000 0.976 299 G CA 0.178 45.347 45.100 0.114 0.000 0.655 299 G HN 0.697 nan 8.290 nan 0.000 0.533 300 E N -0.146 120.139 120.200 0.141 0.000 2.338 300 E HA 0.413 4.763 4.350 -0.000 0.000 0.272 300 E C 0.532 177.251 176.600 0.197 0.000 1.029 300 E CA -0.448 56.055 56.400 0.172 0.000 0.872 300 E CB 1.041 30.831 29.700 0.151 0.000 1.015 300 E HN 0.390 nan 8.360 nan 0.000 0.417 301 I N 4.696 125.409 120.570 0.239 0.000 2.347 301 I HA -0.061 4.109 4.170 -0.000 0.000 0.294 301 I C 1.164 177.396 176.117 0.193 0.000 1.090 301 I CA 0.098 61.522 61.300 0.207 0.000 1.314 301 I CB 0.293 38.425 38.000 0.220 0.000 1.423 301 I HN 0.508 nan 8.210 nan 0.000 0.503 302 L N 6.294 127.614 121.223 0.161 0.000 2.270 302 L HA 0.276 4.616 4.340 -0.000 0.000 0.210 302 L C 0.897 177.821 176.870 0.089 0.000 1.104 302 L CA 0.288 55.217 54.840 0.148 0.000 0.804 302 L CB -0.192 41.963 42.059 0.160 0.000 0.937 302 L HN 0.722 nan 8.230 nan 0.000 0.450 303 A N -0.979 121.865 122.820 0.041 0.000 2.555 303 A HA 0.599 4.919 4.320 -0.000 0.000 0.297 303 A C -0.802 176.740 177.584 -0.070 0.000 1.060 303 A CA -0.276 51.739 52.037 -0.037 0.000 0.710 303 A CB 1.692 20.665 19.000 -0.046 0.000 1.282 303 A HN -0.137 nan 8.150 nan 0.000 0.399 304 T N 0.530 114.998 114.554 -0.144 0.000 3.032 304 T HA 0.755 5.105 4.350 -0.000 0.000 0.312 304 T C -1.045 173.570 174.700 -0.143 0.000 1.078 304 T CA 0.264 62.261 62.100 -0.172 0.000 1.028 304 T CB 1.620 70.258 68.868 -0.383 0.000 1.091 304 T HN 1.533 nan 8.240 nan 0.000 0.457 305 T N 2.858 117.364 114.554 -0.081 0.000 2.853 305 T HA 0.719 5.069 4.350 -0.000 0.000 0.311 305 T C -2.033 172.639 174.700 -0.047 0.000 1.307 305 T CA -0.553 61.512 62.100 -0.058 0.000 1.019 305 T CB 1.803 70.646 68.868 -0.042 0.000 1.264 305 T HN 0.917 nan 8.240 nan 0.000 0.497 306 Q N 1.985 121.761 119.800 -0.041 0.000 2.462 306 Q HA 0.780 5.120 4.340 -0.000 0.000 0.285 306 Q C -1.551 174.431 176.000 -0.031 0.000 1.035 306 Q CA -1.299 54.474 55.803 -0.049 0.000 0.799 306 Q CB 1.768 30.473 28.738 -0.054 0.000 1.452 306 Q HN 0.333 nan 8.270 nan 0.000 0.404 307 R N 0.880 121.359 120.500 -0.035 0.000 2.686 307 R HA 0.585 4.925 4.340 -0.000 0.000 0.286 307 R C -2.729 173.583 176.300 0.020 0.000 0.969 307 R CA -2.105 53.982 56.100 -0.021 0.000 0.898 307 R CB 1.627 31.883 30.300 -0.074 0.000 1.183 307 R HN 0.584 nan 8.270 nan 0.000 0.456 308 P HA 0.241 nan 4.420 nan 0.000 0.274 308 P C -0.148 177.260 177.300 0.181 0.000 1.237 308 P CA -0.052 63.078 63.100 0.051 0.000 0.793 308 P CB 0.791 32.511 31.700 0.033 0.000 0.977 309 T N -1.624 113.060 114.554 0.217 0.000 2.573 309 T HA 0.849 5.199 4.350 -0.000 0.000 0.259 309 T C -0.678 174.137 174.700 0.192 0.000 0.886 309 T CA -0.603 61.607 62.100 0.184 0.000 1.110 309 T CB 0.764 69.574 68.868 -0.097 0.000 1.421 309 T HN 0.441 nan 8.240 nan 0.000 0.523 310 F N -1.677 118.203 119.950 -0.117 0.000 2.779 310 F HA 0.702 5.229 4.527 -0.000 0.000 0.316 310 F C -1.829 173.909 175.800 -0.102 0.000 1.164 310 F CA -1.306 56.582 58.000 -0.186 0.000 0.924 310 F CB 0.786 39.529 39.000 -0.428 0.000 1.348 310 F HN 0.553 nan 8.300 nan 0.000 0.467 311 D N 1.122 121.588 120.400 0.111 0.000 2.317 311 D HA 0.432 5.072 4.640 -0.000 0.000 0.234 311 D C 0.821 177.217 176.300 0.160 0.000 1.112 311 D CA 0.125 54.152 54.000 0.045 0.000 0.840 311 D CB 2.020 42.860 40.800 0.065 0.000 1.078 311 D HN 0.861 nan 8.370 nan 0.000 0.486 312 A N 3.875 126.706 122.820 0.019 0.000 2.070 312 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 312 A C 1.679 179.251 177.584 -0.020 0.000 1.159 312 A CA 1.314 53.331 52.037 -0.033 0.000 0.656 312 A CB -0.007 18.727 19.000 -0.443 0.000 0.800 312 A HN 0.612 nan 8.150 nan 0.000 0.453 313 D N -0.985 119.485 120.400 0.116 0.000 2.202 313 D HA -0.088 4.552 4.640 -0.000 0.000 0.214 313 D C 2.218 178.595 176.300 0.127 0.000 0.967 313 D CA 1.989 56.102 54.000 0.189 0.000 0.871 313 D CB -0.016 40.883 40.800 0.165 0.000 1.020 313 D HN 0.416 nan 8.370 nan 0.000 0.474 314 T N -2.548 112.064 114.554 0.095 0.000 3.088 314 T HA 0.077 4.427 4.350 -0.000 0.000 0.259 314 T C 0.923 175.661 174.700 0.062 0.000 1.122 314 T CA 0.320 62.463 62.100 0.071 0.000 1.095 314 T CB 0.103 69.006 68.868 0.059 0.000 0.930 314 T HN -0.005 nan 8.240 nan 0.000 0.508 315 K N 0.158 120.605 120.400 0.079 0.000 3.547 315 K HA -0.178 4.142 4.320 -0.000 0.000 0.309 315 K C 0.120 176.736 176.600 0.027 0.000 1.324 315 K CA 1.204 57.517 56.287 0.043 0.000 0.988 315 K CB -1.976 30.526 32.500 0.004 0.000 1.261 315 K HN 0.862 nan 8.250 nan 0.000 0.444 316 E N 0.560 120.792 120.200 0.053 0.000 2.415 316 E HA 0.204 4.554 4.350 -0.000 0.000 0.263 316 E C 1.248 177.880 176.600 0.053 0.000 0.995 316 E CA 1.244 57.669 56.400 0.040 0.000 0.915 316 E CB 0.070 29.796 29.700 0.043 0.000 0.951 316 E HN 0.383 nan 8.360 nan 0.000 0.449 317 G N 4.344 113.157 108.800 0.021 0.000 2.259 317 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 317 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 317 G C 0.359 175.200 174.900 -0.099 0.000 1.001 317 G CA 0.004 45.121 45.100 0.028 0.000 0.627 317 G HN 0.590 nan 8.290 nan 0.000 0.501 318 I N 3.928 124.360 120.570 -0.230 0.000 2.293 318 I HA 0.258 4.428 4.170 -0.000 0.000 0.299 318 I C 1.380 177.424 176.117 -0.122 0.000 1.153 318 I CA 0.452 61.491 61.300 -0.436 0.000 1.302 318 I CB 0.047 37.765 38.000 -0.469 0.000 1.460 318 I HN 0.346 nan 8.210 nan 0.000 0.552 319 T N 0.587 115.143 114.554 0.002 0.000 2.849 319 T HA 0.095 4.445 4.350 -0.000 0.000 0.284 319 T C 1.155 175.929 174.700 0.124 0.000 1.004 319 T CA -0.686 61.459 62.100 0.076 0.000 1.021 319 T CB 1.950 70.881 68.868 0.105 0.000 1.013 319 T HN 0.549 nan 8.240 nan 0.000 0.527 320 E N 0.992 121.252 120.200 0.100 0.000 2.153 320 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 320 E C 0.887 177.577 176.600 0.150 0.000 0.988 320 E CA 1.662 58.131 56.400 0.114 0.000 0.811 320 E CB -0.320 29.423 29.700 0.072 0.000 0.746 320 E HN 0.858 nan 8.360 nan 0.000 0.466 321 D N -0.494 119.982 120.400 0.127 0.000 2.427 321 D HA -0.039 4.601 4.640 -0.000 0.000 0.224 321 D C 0.204 176.563 176.300 0.099 0.000 1.157 321 D CA -0.678 53.387 54.000 0.108 0.000 0.828 321 D CB -1.311 39.523 40.800 0.056 0.000 0.974 321 D HN 0.003 nan 8.370 nan 0.000 0.498 322 F N 1.583 121.517 119.950 -0.027 0.000 2.608 322 F HA 0.089 4.616 4.527 -0.000 0.000 0.380 322 F C 0.185 175.851 175.800 -0.222 0.000 1.083 322 F CA -0.348 57.530 58.000 -0.202 0.000 1.266 322 F CB 0.810 39.539 39.000 -0.451 0.000 1.076 322 F HN -0.232 nan 8.300 nan 0.000 0.574 323 V N 8.561 127.947 119.914 -0.880 0.000 2.387 323 V HA -0.127 3.993 4.120 -0.000 0.000 0.260 323 V C 0.176 175.885 176.094 -0.641 0.000 1.054 323 V CA -0.097 61.891 62.300 -0.520 0.000 0.967 323 V CB 0.157 31.764 31.823 -0.360 0.000 1.036 323 V HN 0.960 nan 8.190 nan 0.000 0.481 324 W N 3.672 124.935 121.300 -0.061 0.000 3.047 324 W HA 0.113 4.773 4.660 -0.000 0.000 0.250 324 W C 1.621 178.155 176.519 0.025 0.000 1.314 324 W CA -0.400 57.017 57.345 0.120 0.000 1.540 324 W CB 0.180 29.736 29.460 0.161 0.000 1.127 324 W HN 0.464 nan 8.180 nan 0.000 0.679 325 R N 2.296 122.836 120.500 0.067 0.000 2.570 325 R HA -0.039 4.301 4.340 -0.000 0.000 0.277 325 R C -0.509 175.704 176.300 -0.145 0.000 1.039 325 R CA 0.530 56.591 56.100 -0.064 0.000 1.065 325 R CB 0.379 30.580 30.300 -0.166 0.000 0.964 325 R HN -0.054 nan 8.270 nan 0.000 0.428 326 D N 4.765 125.031 120.400 -0.224 0.000 2.380 326 D HA 0.125 4.765 4.640 -0.000 0.000 0.230 326 D C 1.355 177.444 176.300 -0.353 0.000 1.154 326 D CA -0.429 53.438 54.000 -0.221 0.000 0.859 326 D CB 0.599 41.290 40.800 -0.180 0.000 1.045 326 D HN 0.635 nan 8.370 nan 0.000 0.495 327 I N 3.416 123.826 120.570 -0.266 0.000 2.399 327 I HA -0.286 3.884 4.170 -0.000 0.000 0.254 327 I C 2.216 178.236 176.117 -0.161 0.000 1.146 327 I CA 0.452 61.587 61.300 -0.276 0.000 1.412 327 I CB -0.104 37.720 38.000 -0.292 0.000 1.076 327 I HN 0.422 nan 8.210 nan 0.000 0.432 328 L N 1.236 122.424 121.223 -0.058 0.000 2.079 328 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 328 L C 1.780 178.770 176.870 0.201 0.000 1.081 328 L CA 2.037 56.938 54.840 0.102 0.000 0.752 328 L CB -0.434 41.749 42.059 0.206 0.000 0.896 328 L HN 0.532 nan 8.230 nan 0.000 0.433 329 Y N -3.854 116.484 120.300 0.064 0.000 2.858 329 Y HA 0.461 5.011 4.550 0.000 0.000 0.270 329 Y C 0.659 176.578 175.900 0.032 0.000 1.063 329 Y CA -0.628 57.525 58.100 0.088 0.000 1.263 329 Y CB -0.852 37.743 38.460 0.225 0.000 1.378 329 Y HN 0.182 nan 8.280 nan 0.000 0.578 330 Q N 1.161 120.626 119.800 -0.558 0.000 2.129 330 Q HA 0.383 4.723 4.340 -0.000 0.000 0.274 330 Q C -0.536 174.671 176.000 -1.321 0.000 0.854 330 Q CA -0.227 54.980 55.803 -0.993 0.000 1.123 330 Q CB 1.390 29.664 28.738 -0.773 0.000 1.226 330 Q HN 0.229 nan 8.270 nan 0.000 0.454 331 S N 0.801 116.086 115.700 -0.692 0.000 2.619 331 S HA 0.411 4.881 4.470 -0.000 0.000 0.280 331 S C -1.439 173.189 174.600 0.047 0.000 1.150 331 S CA -0.698 57.289 58.200 -0.356 0.000 0.978 331 S CB 0.742 63.787 63.200 -0.259 0.000 1.041 331 S HN 0.187 nan 8.310 nan 0.000 0.485 332 N N 3.927 122.729 118.700 0.171 0.000 2.426 332 N HA 0.526 5.266 4.740 -0.000 0.000 0.275 332 N C -0.962 174.687 175.510 0.232 0.000 1.019 332 N CA -0.082 53.097 53.050 0.215 0.000 0.941 332 N CB 1.131 39.750 38.487 0.221 0.000 1.123 332 N HN 0.734 nan 8.380 nan 0.000 0.486 333 Y N -1.736 118.589 120.300 0.041 0.000 2.638 333 Y HA 0.465 5.015 4.550 -0.000 0.000 0.335 333 Y C -0.779 175.139 175.900 0.031 0.000 1.155 333 Y CA -1.304 56.815 58.100 0.031 0.000 1.046 333 Y CB 0.855 39.324 38.460 0.014 0.000 1.303 333 Y HN 0.230 nan 8.280 nan 0.000 0.460 334 E N 4.249 124.482 120.200 0.054 0.000 2.105 334 E HA 0.180 4.530 4.350 -0.000 0.000 0.285 334 E C -1.899 174.724 176.600 0.039 0.000 1.055 334 E CA -2.017 54.359 56.400 -0.040 0.000 0.843 334 E CB 1.237 30.965 29.700 0.046 0.000 1.067 334 E HN 0.508 nan 8.360 nan 0.000 0.398 335 P HA -0.165 nan 4.420 nan 0.000 0.220 335 P C 0.806 178.196 177.300 0.150 0.000 1.148 335 P CA 1.320 64.476 63.100 0.093 0.000 0.803 335 P CB 0.327 31.973 31.700 -0.090 0.000 0.782 336 G N -0.122 108.715 108.800 0.062 0.000 2.593 336 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.237 336 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.237 336 G C 0.932 175.889 174.900 0.097 0.000 1.312 336 G CA 0.149 45.292 45.100 0.072 0.000 0.896 336 G HN 0.134 nan 8.290 nan 0.000 0.574 337 S N 0.593 116.345 115.700 0.086 0.000 2.493 337 S HA -0.111 4.359 4.470 -0.000 0.000 0.243 337 S C 2.596 177.257 174.600 0.102 0.000 0.991 337 S CA 2.517 60.768 58.200 0.086 0.000 0.957 337 S CB -0.618 62.586 63.200 0.008 0.000 0.756 337 S HN 1.565 nan 8.310 nan 0.000 0.521 338 T N -0.348 114.297 114.554 0.152 0.000 2.929 338 T HA -0.056 4.294 4.350 -0.000 0.000 0.271 338 T C 1.581 176.410 174.700 0.214 0.000 1.085 338 T CA 1.071 63.310 62.100 0.231 0.000 1.125 338 T CB -0.393 68.709 68.868 0.389 0.000 0.874 338 T HN 0.296 nan 8.240 nan 0.000 0.494 339 M N 1.390 121.060 119.600 0.117 0.000 2.296 339 M HA 0.139 4.619 4.480 -0.000 0.000 0.265 339 M C 1.912 178.278 176.300 0.110 0.000 1.064 339 M CA 1.280 56.607 55.300 0.045 0.000 1.109 339 M CB -0.563 32.016 32.600 -0.035 0.000 1.396 339 M HN 0.114 nan 8.290 nan 0.000 0.430 340 K N -0.942 119.552 120.400 0.156 0.000 2.281 340 K HA -0.124 4.196 4.320 -0.000 0.000 0.203 340 K C 1.726 178.512 176.600 0.310 0.000 1.046 340 K CA 1.316 57.730 56.287 0.210 0.000 0.938 340 K CB -0.402 32.233 32.500 0.225 0.000 0.737 340 K HN 0.263 nan 8.250 nan 0.000 0.458 341 V N 0.925 121.029 119.914 0.316 0.000 2.295 341 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 341 V C 2.123 178.258 176.094 0.068 0.000 1.049 341 V CA 1.658 64.119 62.300 0.269 0.000 1.024 341 V CB -0.306 31.702 31.823 0.308 0.000 0.648 341 V HN 0.292 nan 8.190 nan 0.000 0.447 342 M N -1.295 118.318 119.600 0.021 0.000 2.132 342 M HA -0.112 4.368 4.480 -0.000 0.000 0.263 342 M C 2.048 178.401 176.300 0.088 0.000 1.065 342 M CA 1.891 57.132 55.300 -0.099 0.000 1.122 342 M CB -0.833 31.593 32.600 -0.290 0.000 1.365 342 M HN 0.359 nan 8.290 nan 0.000 0.411 343 M N -0.190 119.424 119.600 0.022 0.000 2.080 343 M HA -0.157 4.323 4.480 -0.000 0.000 0.260 343 M C 1.869 177.986 176.300 -0.304 0.000 1.068 343 M CA 1.715 56.801 55.300 -0.356 0.000 1.109 343 M CB -0.711 31.605 32.600 -0.472 0.000 1.342 343 M HN 0.265 nan 8.290 nan 0.000 0.405 344 L N 0.445 121.512 121.223 -0.259 0.000 1.994 344 L HA -0.012 4.328 4.340 -0.000 0.000 0.208 344 L C 2.358 178.963 176.870 -0.442 0.000 1.071 344 L CA 2.386 56.940 54.840 -0.476 0.000 0.745 344 L CB -1.481 40.129 42.059 -0.749 0.000 0.892 344 L HN 0.357 nan 8.230 nan 0.000 0.431 345 A N -0.457 122.210 122.820 -0.256 0.000 1.908 345 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 345 A C 2.450 179.935 177.584 -0.164 0.000 1.181 345 A CA 2.091 54.042 52.037 -0.143 0.000 0.627 345 A CB -1.252 17.789 19.000 0.067 0.000 0.818 345 A HN 0.615 nan 8.150 nan 0.000 0.445 346 A N -0.203 122.506 122.820 -0.185 0.000 1.902 346 A HA 0.171 4.491 4.320 -0.000 0.000 0.217 346 A C 2.531 179.801 177.584 -0.522 0.000 1.181 346 A CA 2.113 53.781 52.037 -0.616 0.000 0.623 346 A CB -1.090 17.592 19.000 -0.531 0.000 0.818 346 A HN 1.095 nan 8.150 nan 0.000 0.443 347 A N 0.175 122.787 122.820 -0.347 0.000 1.883 347 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 347 A C 2.133 179.638 177.584 -0.132 0.000 1.186 347 A CA 1.727 53.627 52.037 -0.229 0.000 0.624 347 A CB -0.697 18.162 19.000 -0.234 0.000 0.822 347 A HN 0.522 nan 8.150 nan 0.000 0.444 348 I N -0.585 119.862 120.570 -0.204 0.000 2.252 348 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 348 I C 2.277 178.369 176.117 -0.042 0.000 1.102 348 I CA 1.904 63.150 61.300 -0.090 0.000 1.385 348 I CB -0.514 37.380 38.000 -0.177 0.000 1.064 348 I HN 0.394 nan 8.210 nan 0.000 0.414 349 D N 1.085 121.438 120.400 -0.079 0.000 2.178 349 D HA -0.245 4.395 4.640 -0.000 0.000 0.201 349 D C 1.806 178.152 176.300 0.076 0.000 0.980 349 D CA 1.176 55.178 54.000 0.004 0.000 0.842 349 D CB -0.082 40.736 40.800 0.029 0.000 0.948 349 D HN 0.121 nan 8.370 nan 0.000 0.472 350 N N -0.021 118.712 118.700 0.055 0.000 2.398 350 N HA -0.086 4.654 4.740 -0.000 0.000 0.188 350 N C -0.208 175.346 175.510 0.073 0.000 1.122 350 N CA 0.254 53.385 53.050 0.134 0.000 0.866 350 N CB -0.172 38.418 38.487 0.171 0.000 0.970 350 N HN 0.090 nan 8.380 nan 0.000 0.462 351 N N -1.031 117.698 118.700 0.049 0.000 2.735 351 N HA -0.173 4.567 4.740 -0.000 0.000 0.248 351 N C -1.048 174.481 175.510 0.031 0.000 1.083 351 N CA 1.319 54.396 53.050 0.044 0.000 0.703 351 N CB -1.586 36.925 38.487 0.039 0.000 1.005 351 N HN 0.193 nan 8.380 nan 0.000 0.550 352 T N -0.280 114.290 114.554 0.028 0.000 3.331 352 T HA 0.227 4.577 4.350 -0.000 0.000 0.282 352 T C -0.553 174.141 174.700 -0.010 0.000 1.010 352 T CA -0.282 61.810 62.100 -0.014 0.000 0.928 352 T CB -0.287 68.563 68.868 -0.030 0.000 1.154 352 T HN 0.333 nan 8.240 nan 0.000 0.516 353 F N 4.395 124.254 119.950 -0.150 0.000 2.564 353 F HA 0.409 4.936 4.527 -0.000 0.000 0.368 353 F C -2.483 173.259 175.800 -0.097 0.000 1.127 353 F CA -2.730 55.163 58.000 -0.178 0.000 1.170 353 F CB 1.519 40.426 39.000 -0.156 0.000 1.397 353 F HN -0.115 nan 8.300 nan 0.000 0.493 354 P HA 0.224 nan 4.420 nan 0.000 0.247 354 P C 0.930 177.917 177.300 -0.520 0.000 1.756 354 P CA 0.015 62.905 63.100 -0.350 0.000 1.117 354 P CB 0.839 32.461 31.700 -0.130 0.000 1.869 355 G N 2.710 110.958 108.800 -0.920 0.000 2.485 355 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.221 355 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.221 355 G C 1.367 176.148 174.900 -0.199 0.000 1.115 355 G CA 0.726 45.356 45.100 -0.784 0.000 0.751 355 G HN 0.525 nan 8.290 nan 0.000 0.567 356 G N -0.530 108.195 108.800 -0.126 0.000 2.939 356 G HA2 0.167 4.127 3.960 -0.000 0.000 0.210 356 G HA3 0.167 4.127 3.960 -0.000 0.000 0.210 356 G C 0.519 175.399 174.900 -0.034 0.000 1.160 356 G CA -0.039 45.030 45.100 -0.052 0.000 0.770 356 G HN 0.502 nan 8.290 nan 0.000 0.543 357 E N 0.869 121.077 120.200 0.012 0.000 2.344 357 E HA 0.295 4.645 4.350 -0.000 0.000 0.270 357 E C -0.443 176.099 176.600 -0.097 0.000 1.021 357 E CA -0.398 56.026 56.400 0.039 0.000 0.887 357 E CB 0.915 30.740 29.700 0.209 0.000 0.997 357 E HN -0.072 nan 8.360 nan 0.000 0.429 358 V N 5.872 125.714 119.914 -0.120 0.000 2.567 358 V HA 0.386 4.506 4.120 -0.000 0.000 0.289 358 V C -0.135 175.842 176.094 -0.195 0.000 1.049 358 V CA -0.236 61.936 62.300 -0.213 0.000 0.969 358 V CB 0.448 32.162 31.823 -0.181 0.000 0.995 358 V HN 0.594 nan 8.190 nan 0.000 0.471 359 F N 1.650 121.322 119.950 -0.464 0.000 2.664 359 F HA 0.610 5.137 4.527 -0.000 0.000 0.317 359 F C -0.776 174.872 175.800 -0.252 0.000 1.108 359 F CA -1.301 56.480 58.000 -0.365 0.000 0.957 359 F CB 1.805 40.488 39.000 -0.528 0.000 1.365 359 F HN 0.390 nan 8.300 nan 0.000 0.475 360 N N 0.531 119.140 118.700 -0.152 0.000 2.408 360 N HA 0.204 4.944 4.740 -0.000 0.000 0.280 360 N C -0.164 175.317 175.510 -0.049 0.000 1.002 360 N CA 0.038 52.952 53.050 -0.227 0.000 0.907 360 N CB 1.999 40.426 38.487 -0.100 0.000 1.161 360 N HN 0.852 nan 8.380 nan 0.000 0.488 361 S N 1.429 117.024 115.700 -0.176 0.000 2.660 361 S HA -0.035 4.435 4.470 -0.000 0.000 0.227 361 S C 1.666 176.264 174.600 -0.004 0.000 0.948 361 S CA 0.204 58.421 58.200 0.028 0.000 0.948 361 S CB -0.360 62.822 63.200 -0.029 0.000 0.779 361 S HN 0.602 nan 8.310 nan 0.000 0.487 362 S N 1.510 117.194 115.700 -0.026 0.000 2.365 362 S HA -0.094 4.376 4.470 -0.000 0.000 0.221 362 S C 0.664 175.258 174.600 -0.010 0.000 1.037 362 S CA 0.752 58.934 58.200 -0.030 0.000 1.060 362 S CB -0.412 62.773 63.200 -0.027 0.000 0.974 362 S HN 0.717 nan 8.310 nan 0.000 0.427 363 E N -1.124 119.085 120.200 0.015 0.000 2.377 363 E HA 0.574 4.924 4.350 -0.000 0.000 0.266 363 E C -1.997 174.628 176.600 0.041 0.000 1.111 363 E CA -0.810 55.602 56.400 0.020 0.000 0.889 363 E CB 1.388 31.096 29.700 0.014 0.000 1.644 363 E HN 0.146 nan 8.360 nan 0.000 0.464 364 L N 1.897 123.145 121.223 0.042 0.000 2.661 364 L HA 0.302 4.642 4.340 -0.000 0.000 0.263 364 L C -1.692 175.212 176.870 0.056 0.000 0.956 364 L CA -0.509 54.363 54.840 0.054 0.000 0.918 364 L CB 1.510 43.606 42.059 0.062 0.000 1.280 364 L HN 0.446 nan 8.230 nan 0.000 0.416 365 K N 5.726 126.156 120.400 0.050 0.000 2.201 365 K HA 0.606 4.926 4.320 -0.000 0.000 0.278 365 K C -0.545 176.087 176.600 0.053 0.000 1.027 365 K CA -0.342 55.975 56.287 0.049 0.000 0.909 365 K CB 1.931 34.454 32.500 0.039 0.000 1.062 365 K HN 0.551 nan 8.250 nan 0.000 0.465 366 I N 1.780 122.385 120.570 0.058 0.000 2.595 366 I HA 0.113 4.283 4.170 -0.000 0.000 0.276 366 I C -0.415 175.733 176.117 0.053 0.000 1.109 366 I CA -0.745 60.589 61.300 0.058 0.000 1.084 366 I CB 1.559 39.602 38.000 0.072 0.000 1.206 366 I HN 0.684 nan 8.210 nan 0.000 0.486 367 A N 5.332 128.178 122.820 0.043 0.000 1.637 367 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 367 A C 1.149 178.756 177.584 0.039 0.000 1.243 367 A CA 1.543 53.602 52.037 0.037 0.000 0.702 367 A CB -0.988 18.032 19.000 0.034 0.000 1.179 367 A HN 1.381 nan 8.150 nan 0.000 0.227 368 D N -1.757 118.664 120.400 0.036 0.000 2.462 368 D HA -0.061 4.579 4.640 -0.000 0.000 0.172 368 D C 0.218 176.545 176.300 0.046 0.000 1.218 368 D CA 2.729 56.750 54.000 0.036 0.000 1.131 368 D CB -1.587 39.232 40.800 0.031 0.000 1.155 368 D HN 2.269 nan 8.370 nan 0.000 0.443 369 A N -0.648 122.205 122.820 0.056 0.000 2.303 369 A HA 0.697 5.017 4.320 -0.000 0.000 0.317 369 A C 0.030 177.659 177.584 0.075 0.000 1.149 369 A CA 0.327 52.408 52.037 0.073 0.000 0.822 369 A CB 1.533 20.587 19.000 0.089 0.000 1.131 369 A HN 0.364 nan 8.150 nan 0.000 0.493 370 T N 2.362 116.965 114.554 0.083 0.000 2.840 370 T HA 0.493 4.843 4.350 -0.000 0.000 0.287 370 T C -0.432 174.318 174.700 0.084 0.000 0.991 370 T CA 0.016 62.159 62.100 0.072 0.000 0.964 370 T CB 0.621 69.522 68.868 0.054 0.000 0.954 370 T HN 0.450 nan 8.240 nan 0.000 0.438 371 I N 4.004 124.620 120.570 0.077 0.000 2.331 371 I HA 0.482 4.652 4.170 -0.000 0.000 0.292 371 I C 0.423 176.534 176.117 -0.011 0.000 0.998 371 I CA -0.645 60.687 61.300 0.053 0.000 1.267 371 I CB 0.931 38.983 38.000 0.087 0.000 1.386 371 I HN 0.378 nan 8.210 nan 0.000 0.476 372 R N 3.877 124.344 120.500 -0.055 0.000 2.854 372 R HA 0.525 4.865 4.340 -0.000 0.000 0.271 372 R C -1.445 174.785 176.300 -0.117 0.000 0.994 372 R CA -1.131 54.931 56.100 -0.063 0.000 0.945 372 R CB 1.647 31.928 30.300 -0.032 0.000 1.194 372 R HN 0.381 nan 8.270 nan 0.000 0.476 373 D N 0.969 121.302 120.400 -0.112 0.000 2.312 373 D HA 0.063 4.703 4.640 -0.000 0.000 0.248 373 D C 1.057 177.267 176.300 -0.150 0.000 1.086 373 D CA -0.531 53.383 54.000 -0.143 0.000 0.948 373 D CB 0.537 41.229 40.800 -0.180 0.000 1.162 373 D HN 0.580 nan 8.370 nan 0.000 0.446 374 W N 1.644 122.877 121.300 -0.112 0.000 2.335 374 W HA -0.188 4.472 4.660 -0.000 0.000 0.311 374 W C 0.968 177.450 176.519 -0.062 0.000 1.213 374 W CA 1.446 58.724 57.345 -0.113 0.000 1.274 374 W CB -0.884 28.482 29.460 -0.156 0.000 1.148 374 W HN 0.328 nan 8.180 nan 0.000 0.498 375 D N 1.196 120.898 120.400 -1.163 0.000 2.224 375 D HA -0.147 4.493 4.640 -0.000 0.000 0.205 375 D C 2.119 178.182 176.300 -0.396 0.000 0.965 375 D CA 1.117 54.539 54.000 -0.963 0.000 0.852 375 D CB -0.956 38.948 40.800 -1.494 0.000 0.947 375 D HN 0.207 nan 8.370 nan 0.000 0.494 376 V N 0.907 120.630 119.914 -0.317 0.000 2.591 376 V HA -0.122 3.998 4.120 -0.000 0.000 0.249 376 V C 2.075 178.113 176.094 -0.093 0.000 1.053 376 V CA 1.421 63.621 62.300 -0.167 0.000 1.068 376 V CB -0.816 30.927 31.823 -0.134 0.000 0.689 376 V HN 0.210 nan 8.190 nan 0.000 0.462 377 N N -0.045 118.611 118.700 -0.073 0.000 2.244 377 N HA -0.138 4.602 4.740 -0.000 0.000 0.183 377 N C 1.509 177.028 175.510 0.014 0.000 1.016 377 N CA 0.873 53.917 53.050 -0.010 0.000 0.866 377 N CB 0.014 38.513 38.487 0.019 0.000 0.980 377 N HN 0.543 nan 8.380 nan 0.000 0.430 378 E N 0.027 120.235 120.200 0.013 0.000 2.502 378 E HA 0.045 4.395 4.350 -0.000 0.000 0.194 378 E C 0.716 177.323 176.600 0.012 0.000 1.062 378 E CA -0.137 56.291 56.400 0.045 0.000 0.867 378 E CB 0.170 29.932 29.700 0.105 0.000 0.888 378 E HN 0.383 nan 8.360 nan 0.000 0.510 379 G N 1.419 110.208 108.800 -0.019 0.000 2.258 379 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.274 379 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.274 379 G C 0.711 175.591 174.900 -0.032 0.000 1.021 379 G CA 0.427 45.513 45.100 -0.024 0.000 0.798 379 G HN 0.320 nan 8.290 nan 0.000 0.507 380 L N -0.207 120.984 121.223 -0.054 0.000 2.446 380 L HA 0.259 4.599 4.340 -0.000 0.000 0.219 380 L C 1.483 178.308 176.870 -0.075 0.000 1.116 380 L CA 1.314 56.122 54.840 -0.053 0.000 0.844 380 L CB -0.162 41.865 42.059 -0.054 0.000 0.970 380 L HN 0.600 nan 8.230 nan 0.000 0.457 381 T N -5.792 108.703 114.554 -0.098 0.000 2.830 381 T HA 0.395 4.745 4.350 -0.000 0.000 0.322 381 T C 0.356 175.000 174.700 -0.093 0.000 1.501 381 T CA -0.140 61.902 62.100 -0.097 0.000 1.036 381 T CB 1.543 70.337 68.868 -0.123 0.000 1.379 381 T HN -0.070 nan 8.240 nan 0.000 0.493 382 G N -0.840 107.913 108.800 -0.079 0.000 2.986 382 G HA2 0.575 4.534 3.960 -0.000 0.000 0.213 382 G HA3 0.575 4.534 3.960 -0.000 0.000 0.213 382 G C 0.736 175.590 174.900 -0.077 0.000 1.156 382 G CA -0.066 44.994 45.100 -0.068 0.000 0.763 382 G HN 1.651 nan 8.290 nan 0.000 0.547 383 G N -0.307 108.433 108.800 -0.100 0.000 2.249 383 G HA2 0.284 4.244 3.960 -0.000 0.000 0.252 383 G HA3 0.284 4.244 3.960 -0.000 0.000 0.252 383 G C -1.007 173.805 174.900 -0.146 0.000 1.697 383 G CA -1.080 43.950 45.100 -0.116 0.000 0.916 383 G HN 0.272 nan 8.290 nan 0.000 0.725 384 R N 1.564 121.944 120.500 -0.200 0.000 2.720 384 R HA 0.676 5.016 4.340 -0.000 0.000 0.272 384 R C -0.252 175.834 176.300 -0.357 0.000 0.991 384 R CA -1.096 54.864 56.100 -0.232 0.000 1.010 384 R CB 1.418 31.584 30.300 -0.224 0.000 1.141 384 R HN 0.418 nan 8.270 nan 0.000 0.494 385 M N 3.038 122.446 119.600 -0.320 0.000 2.061 385 M HA 0.401 4.881 4.480 -0.000 0.000 0.346 385 M C -0.478 175.523 176.300 -0.500 0.000 1.112 385 M CA 0.225 55.282 55.300 -0.405 0.000 1.021 385 M CB 0.612 33.065 32.600 -0.246 0.000 1.530 385 M HN 0.493 nan 8.290 nan 0.000 0.437 386 M N 1.328 120.442 119.600 -0.809 0.000 2.619 386 M HA 0.499 4.979 4.480 -0.000 0.000 0.297 386 M C 0.353 176.301 176.300 -0.587 0.000 1.229 386 M CA -0.865 53.976 55.300 -0.764 0.000 0.860 386 M CB 2.611 34.672 32.600 -0.898 0.000 1.741 386 M HN 0.675 nan 8.290 nan 0.000 0.462 387 T N -1.805 112.552 114.554 -0.329 0.000 2.828 387 T HA 0.332 4.682 4.350 -0.000 0.000 0.290 387 T C 0.631 175.348 174.700 0.029 0.000 1.019 387 T CA -0.330 61.678 62.100 -0.154 0.000 1.031 387 T CB 0.524 69.346 68.868 -0.076 0.000 1.001 387 T HN 0.420 nan 8.240 nan 0.000 0.531 388 F N 0.611 120.664 119.950 0.171 0.000 2.269 388 F HA -0.028 4.499 4.527 0.000 0.000 0.301 388 F C 2.963 178.950 175.800 0.311 0.000 1.082 388 F CA 1.141 59.260 58.000 0.198 0.000 1.360 388 F CB -0.896 38.060 39.000 -0.074 0.000 1.041 388 F HN 0.569 nan 8.300 nan 0.000 0.512 389 S N -0.381 115.553 115.700 0.391 0.000 2.348 389 S HA -0.233 4.237 4.470 -0.000 0.000 0.221 389 S C 1.955 176.766 174.600 0.351 0.000 1.033 389 S CA 1.319 59.785 58.200 0.444 0.000 1.010 389 S CB -0.415 62.962 63.200 0.294 0.000 0.891 389 S HN 0.460 nan 8.310 nan 0.000 0.442 390 Q N 0.334 120.230 119.800 0.161 0.000 2.170 390 Q HA -0.058 4.282 4.340 -0.000 0.000 0.203 390 Q C 2.430 178.492 176.000 0.105 0.000 0.976 390 Q CA 1.201 57.010 55.803 0.009 0.000 0.858 390 Q CB -0.500 27.968 28.738 -0.451 0.000 0.907 390 Q HN 0.630 nan 8.270 nan 0.000 0.433 391 G N 0.393 109.341 108.800 0.248 0.000 2.432 391 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.219 391 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.219 391 G C 1.141 176.282 174.900 0.402 0.000 1.135 391 G CA 0.440 45.794 45.100 0.423 0.000 0.767 391 G HN 0.326 nan 8.290 nan 0.000 0.550 392 F N 2.281 122.394 119.950 0.271 0.000 2.128 392 F HA 0.184 4.711 4.527 0.000 0.000 0.295 392 F C 2.740 178.659 175.800 0.198 0.000 1.100 392 F CA 1.227 59.349 58.000 0.204 0.000 1.260 392 F CB -0.331 38.766 39.000 0.162 0.000 1.009 392 F HN 0.198 nan 8.300 nan 0.000 0.476 393 A N -1.281 121.668 122.820 0.213 0.000 2.019 393 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 393 A C 1.731 179.419 177.584 0.174 0.000 1.164 393 A CA 1.942 54.061 52.037 0.136 0.000 0.644 393 A CB -1.213 17.942 19.000 0.257 0.000 0.805 393 A HN 0.640 nan 8.150 nan 0.000 0.449 394 H N -1.016 118.153 119.070 0.165 0.000 2.539 394 H HA 0.214 4.770 4.556 -0.000 0.000 0.269 394 H C 0.843 176.365 175.328 0.322 0.000 0.980 394 H CA 0.628 56.855 56.048 0.298 0.000 1.152 394 H CB -0.038 29.911 29.762 0.311 0.000 1.407 394 H HN 0.347 nan 8.280 nan 0.000 0.564 395 S N -0.097 115.667 115.700 0.107 0.000 3.706 395 S HA -0.235 4.235 4.470 -0.000 0.000 0.363 395 S C 0.057 174.763 174.600 0.176 0.000 0.999 395 S CA 0.541 58.757 58.200 0.025 0.000 1.143 395 S CB -1.859 61.289 63.200 -0.086 0.000 0.902 395 S HN 0.603 nan 8.310 nan 0.000 0.476 396 S N 1.046 116.885 115.700 0.231 0.000 2.474 396 S HA 0.382 4.852 4.470 -0.000 0.000 0.276 396 S C 1.347 175.995 174.600 0.081 0.000 1.227 396 S CA -0.461 57.868 58.200 0.216 0.000 1.050 396 S CB 0.446 63.870 63.200 0.374 0.000 0.939 396 S HN 0.581 nan 8.310 nan 0.000 0.490 397 N N 4.125 122.775 118.700 -0.083 0.000 2.244 397 N HA -0.088 4.652 4.740 -0.000 0.000 0.183 397 N C 1.725 177.148 175.510 -0.145 0.000 1.016 397 N CA 0.921 53.769 53.050 -0.338 0.000 0.866 397 N CB -0.411 37.536 38.487 -0.899 0.000 0.980 397 N HN 0.480 nan 8.380 nan 0.000 0.430 398 V N 0.928 120.819 119.914 -0.038 0.000 2.343 398 V HA -0.139 3.981 4.120 -0.000 0.000 0.247 398 V C 2.452 178.529 176.094 -0.030 0.000 1.051 398 V CA 2.029 64.350 62.300 0.036 0.000 1.036 398 V CB -1.180 30.728 31.823 0.142 0.000 0.654 398 V HN 0.315 nan 8.190 nan 0.000 0.451 399 G N -0.348 108.410 108.800 -0.071 0.000 2.433 399 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 399 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 399 G C 1.517 176.357 174.900 -0.099 0.000 1.186 399 G CA 1.124 45.957 45.100 -0.445 0.000 0.779 399 G HN 0.308 nan 8.290 nan 0.000 0.543 400 M N 0.893 120.501 119.600 0.013 0.000 2.159 400 M HA -0.036 4.444 4.480 -0.000 0.000 0.263 400 M C 2.652 178.913 176.300 -0.066 0.000 1.063 400 M CA 1.384 56.682 55.300 -0.003 0.000 1.110 400 M CB -1.756 30.890 32.600 0.077 0.000 1.374 400 M HN 0.157 nan 8.290 nan 0.000 0.411 401 T N 1.455 116.019 114.554 0.017 0.000 2.777 401 T HA -0.052 4.298 4.350 -0.000 0.000 0.266 401 T C 2.087 176.756 174.700 -0.051 0.000 1.040 401 T CA 0.990 63.107 62.100 0.027 0.000 1.141 401 T CB -0.294 68.655 68.868 0.135 0.000 0.868 401 T HN 0.299 nan 8.240 nan 0.000 0.444 402 L N 0.471 121.658 121.223 -0.060 0.000 2.042 402 L HA -0.089 4.251 4.340 -0.000 0.000 0.210 402 L C 2.482 179.237 176.870 -0.193 0.000 1.076 402 L CA 1.182 55.980 54.840 -0.069 0.000 0.749 402 L CB -0.609 41.457 42.059 0.012 0.000 0.893 402 L HN 0.268 nan 8.230 nan 0.000 0.432 403 L N -0.642 120.397 121.223 -0.307 0.000 2.046 403 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 403 L C 2.776 179.483 176.870 -0.272 0.000 1.077 403 L CA 1.059 55.668 54.840 -0.386 0.000 0.747 403 L CB -0.585 41.258 42.059 -0.360 0.000 0.896 403 L HN 0.338 nan 8.230 nan 0.000 0.432 404 E N 0.121 120.159 120.200 -0.271 0.000 2.110 404 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 404 E C 2.070 178.594 176.600 -0.125 0.000 0.988 404 E CA 1.241 57.468 56.400 -0.288 0.000 0.804 404 E CB 0.101 29.585 29.700 -0.359 0.000 0.745 404 E HN 0.476 nan 8.360 nan 0.000 0.458 405 Q N 0.476 120.220 119.800 -0.092 0.000 2.079 405 Q HA -0.093 4.247 4.340 -0.000 0.000 0.200 405 Q C 2.171 178.148 176.000 -0.038 0.000 0.974 405 Q CA 0.984 56.765 55.803 -0.037 0.000 0.840 405 Q CB -0.256 28.470 28.738 -0.020 0.000 0.898 405 Q HN 0.306 nan 8.270 nan 0.000 0.430 406 K N 0.308 120.659 120.400 -0.081 0.000 2.147 406 K HA -0.077 4.243 4.320 -0.000 0.000 0.205 406 K C 2.058 178.637 176.600 -0.036 0.000 1.049 406 K CA 1.083 57.327 56.287 -0.073 0.000 0.936 406 K CB -0.113 32.303 32.500 -0.140 0.000 0.722 406 K HN 0.174 nan 8.250 nan 0.000 0.446 407 M N -0.021 119.559 119.600 -0.034 0.000 2.193 407 M HA -0.003 4.477 4.480 -0.000 0.000 0.265 407 M C 0.155 176.501 176.300 0.076 0.000 1.071 407 M CA 1.438 56.758 55.300 0.033 0.000 1.140 407 M CB 0.399 33.025 32.600 0.043 0.000 1.369 407 M HN 0.216 nan 8.290 nan 0.000 0.423 408 G N 0.981 109.820 108.800 0.065 0.000 2.788 408 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.686 408 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.686 408 G C -0.518 174.469 174.900 0.145 0.000 1.147 408 G CA -0.285 44.866 45.100 0.084 0.000 0.755 408 G HN 0.411 nan 8.290 nan 0.000 0.634 409 D N 0.729 121.209 120.400 0.133 0.000 2.133 409 D HA -0.109 4.531 4.640 -0.000 0.000 0.195 409 D C 2.758 179.158 176.300 0.166 0.000 0.997 409 D CA 2.339 56.444 54.000 0.175 0.000 0.840 409 D CB -0.392 40.478 40.800 0.117 0.000 0.947 409 D HN 0.968 nan 8.370 nan 0.000 0.452 410 A N 0.345 123.231 122.820 0.110 0.000 1.883 410 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 410 A C 2.400 180.039 177.584 0.092 0.000 1.186 410 A CA 2.261 54.343 52.037 0.075 0.000 0.624 410 A CB -0.938 18.090 19.000 0.047 0.000 0.822 410 A HN 0.239 nan 8.150 nan 0.000 0.444 411 T N -1.586 113.054 114.554 0.143 0.000 2.867 411 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 411 T C 1.565 176.490 174.700 0.375 0.000 1.057 411 T CA 0.986 63.198 62.100 0.188 0.000 1.136 411 T CB -0.306 68.693 68.868 0.219 0.000 0.874 411 T HN 0.705 nan 8.240 nan 0.000 0.466 412 W N 1.503 122.904 121.300 0.168 0.000 2.381 412 W HA -0.049 4.611 4.660 -0.000 0.000 0.301 412 W C 1.579 178.202 176.519 0.173 0.000 1.205 412 W CA 0.454 57.916 57.345 0.195 0.000 1.285 412 W CB -0.262 29.253 29.460 0.092 0.000 1.133 412 W HN 0.191 nan 8.180 nan 0.000 0.521 413 L N 0.736 121.942 121.223 -0.028 0.000 2.042 413 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 413 L C 2.227 179.011 176.870 -0.144 0.000 1.076 413 L CA 2.062 56.790 54.840 -0.187 0.000 0.749 413 L CB -1.036 40.980 42.059 -0.073 0.000 0.893 413 L HN -0.018 nan 8.230 nan 0.000 0.432 414 D N -0.857 119.499 120.400 -0.074 0.000 2.123 414 D HA -0.249 4.391 4.640 -0.000 0.000 0.196 414 D C 2.040 178.239 176.300 -0.168 0.000 0.992 414 D CA 1.519 55.438 54.000 -0.135 0.000 0.833 414 D CB -0.048 40.643 40.800 -0.183 0.000 0.954 414 D HN 0.216 nan 8.370 nan 0.000 0.455 415 Y N 0.277 120.555 120.300 -0.036 0.000 2.224 415 Y HA -0.035 4.515 4.550 -0.000 0.000 0.289 415 Y C 2.251 178.156 175.900 0.008 0.000 1.146 415 Y CA 0.829 58.942 58.100 0.021 0.000 1.182 415 Y CB -0.310 38.300 38.460 0.251 0.000 0.983 415 Y HN 0.055 nan 8.280 nan 0.000 0.524 416 L N -0.275 120.866 121.223 -0.137 0.000 2.083 416 L HA -0.268 4.072 4.340 -0.000 0.000 0.209 416 L C 2.007 178.946 176.870 0.115 0.000 1.083 416 L CA 1.190 55.987 54.840 -0.072 0.000 0.752 416 L CB -0.463 41.347 42.059 -0.416 0.000 0.899 416 L HN 0.311 nan 8.230 nan 0.000 0.433 417 N N 0.102 118.796 118.700 -0.011 0.000 2.270 417 N HA -0.102 4.638 4.740 -0.000 0.000 0.181 417 N C 1.884 177.364 175.510 -0.050 0.000 1.016 417 N CA 0.892 53.928 53.050 -0.023 0.000 0.870 417 N CB -0.051 38.401 38.487 -0.060 0.000 0.979 417 N HN 0.350 nan 8.380 nan 0.000 0.431 418 R N -0.340 120.105 120.500 -0.091 0.000 2.148 418 R HA -0.003 4.337 4.340 -0.000 0.000 0.227 418 R C 1.053 177.206 176.300 -0.244 0.000 1.103 418 R CA 0.762 56.744 56.100 -0.196 0.000 0.983 418 R CB -0.171 29.954 30.300 -0.291 0.000 0.874 418 R HN 0.142 nan 8.270 nan 0.000 0.451 419 F N 0.873 120.775 119.950 -0.081 0.000 2.797 419 F HA 0.135 4.662 4.527 0.000 0.000 0.302 419 F C 0.587 176.126 175.800 -0.434 0.000 1.130 419 F CA 0.232 58.102 58.000 -0.217 0.000 1.387 419 F CB 0.087 39.004 39.000 -0.140 0.000 1.107 419 F HN -0.146 nan 8.300 nan 0.000 0.577 420 K N -0.834 119.496 120.400 -0.117 0.000 3.088 420 K HA -0.243 4.077 4.320 -0.000 0.000 0.273 420 K C -0.231 176.267 176.600 -0.169 0.000 1.111 420 K CA 0.088 56.295 56.287 -0.132 0.000 0.803 420 K CB -2.030 30.396 32.500 -0.123 0.000 1.226 420 K HN 0.131 nan 8.250 nan 0.000 0.485 421 F N 0.722 120.667 119.950 -0.009 0.000 2.496 421 F HA 0.237 4.764 4.527 -0.000 0.000 0.344 421 F C 1.941 177.714 175.800 -0.045 0.000 1.155 421 F CA 1.582 59.551 58.000 -0.050 0.000 1.302 421 F CB 0.747 39.686 39.000 -0.102 0.000 1.159 421 F HN 0.254 nan 8.300 nan 0.000 0.595 422 G N 0.654 109.564 108.800 0.183 0.000 2.225 422 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.254 422 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.254 422 G C -0.532 174.408 174.900 0.067 0.000 0.988 422 G CA 0.043 45.198 45.100 0.092 0.000 0.625 422 G HN 0.646 nan 8.290 nan 0.000 0.527 423 V N 1.757 121.706 119.914 0.059 0.000 2.495 423 V HA 0.574 4.694 4.120 -0.000 0.000 0.298 423 V C -2.034 174.095 176.094 0.060 0.000 1.031 423 V CA -1.896 60.434 62.300 0.049 0.000 0.871 423 V CB 2.066 33.908 31.823 0.032 0.000 0.988 423 V HN 0.084 nan 8.190 nan 0.000 0.432 424 P HA 0.118 nan 4.420 nan 0.000 0.269 424 P C 1.115 178.479 177.300 0.107 0.000 1.209 424 P CA -0.012 63.162 63.100 0.124 0.000 0.776 424 P CB 0.522 32.319 31.700 0.162 0.000 0.876 425 T N -0.119 114.500 114.554 0.107 0.000 2.915 425 T HA -0.127 4.223 4.350 -0.000 0.000 0.269 425 T C 0.859 175.672 174.700 0.188 0.000 1.071 425 T CA 0.321 62.480 62.100 0.099 0.000 1.132 425 T CB -0.752 68.133 68.868 0.029 0.000 0.878 425 T HN 0.430 nan 8.240 nan 0.000 0.479 426 R N 0.196 120.852 120.500 0.260 0.000 3.531 426 R HA -0.157 4.183 4.340 -0.000 0.000 0.280 426 R C 0.567 177.059 176.300 0.320 0.000 1.130 426 R CA 0.557 56.811 56.100 0.257 0.000 0.757 426 R CB -2.691 27.705 30.300 0.160 0.000 1.218 426 R HN 0.690 nan 8.270 nan 0.000 0.454 427 F N -2.082 117.937 119.950 0.114 0.000 2.546 427 F HA 0.218 4.745 4.527 -0.000 0.000 0.298 427 F C 1.463 177.393 175.800 0.216 0.000 1.120 427 F CA 1.106 59.194 58.000 0.146 0.000 1.456 427 F CB -0.055 39.061 39.000 0.193 0.000 1.088 427 F HN 0.166 nan 8.300 nan 0.000 0.572 428 G N 0.395 109.158 108.800 -0.061 0.000 3.514 428 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.197 428 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.197 428 G C -0.036 174.778 174.900 -0.144 0.000 1.098 428 G CA -0.171 44.892 45.100 -0.063 0.000 0.884 428 G HN 0.288 nan 8.290 nan 0.000 0.433 429 L N 3.133 124.027 121.223 -0.548 0.000 2.439 429 L HA 0.464 4.804 4.340 -0.000 0.000 0.269 429 L C 1.518 178.334 176.870 -0.090 0.000 1.179 429 L CA 0.072 54.644 54.840 -0.447 0.000 0.828 429 L CB 0.941 42.459 42.059 -0.902 0.000 1.106 429 L HN 0.472 nan 8.230 nan 0.000 0.467 430 T N -1.919 112.657 114.554 0.037 0.000 2.898 430 T HA 0.062 4.412 4.350 -0.000 0.000 0.301 430 T C 0.183 175.044 174.700 0.270 0.000 1.049 430 T CA -0.629 61.551 62.100 0.132 0.000 1.095 430 T CB 0.678 69.605 68.868 0.098 0.000 0.976 430 T HN 0.707 nan 8.240 nan 0.000 0.539 431 D N -0.177 120.369 120.400 0.244 0.000 2.705 431 D HA -0.149 4.491 4.640 -0.000 0.000 0.240 431 D C 0.029 176.620 176.300 0.484 0.000 1.137 431 D CA 0.938 55.116 54.000 0.297 0.000 0.677 431 D CB -0.874 40.083 40.800 0.262 0.000 1.049 431 D HN 0.939 nan 8.370 nan 0.000 0.427 432 E N -0.047 120.453 120.200 0.499 0.000 2.301 432 E HA 0.218 4.568 4.350 -0.000 0.000 0.275 432 E C -0.046 176.886 176.600 0.553 0.000 1.030 432 E CA -0.579 56.218 56.400 0.661 0.000 0.852 432 E CB 0.673 30.722 29.700 0.580 0.000 1.060 432 E HN -0.027 nan 8.360 nan 0.000 0.401 433 Y N 1.502 121.934 120.300 0.219 0.000 2.260 433 Y HA 0.345 4.895 4.550 -0.000 0.000 0.339 433 Y C 1.006 176.981 175.900 0.125 0.000 1.317 433 Y CA -0.185 57.998 58.100 0.137 0.000 1.514 433 Y CB 1.174 39.694 38.460 0.102 0.000 1.382 433 Y HN 0.676 nan 8.280 nan 0.000 0.581 434 A N -0.214 122.733 122.820 0.212 0.000 2.508 434 A HA 0.514 4.834 4.320 -0.000 0.000 0.250 434 A C 1.128 178.784 177.584 0.121 0.000 1.208 434 A CA 0.394 52.515 52.037 0.139 0.000 0.960 434 A CB -0.741 18.307 19.000 0.079 0.000 1.099 434 A HN 1.217 nan 8.150 nan 0.000 0.542 435 G N -0.402 108.480 108.800 0.136 0.000 2.601 435 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.261 435 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.261 435 G C -0.197 174.732 174.900 0.048 0.000 1.289 435 G CA 0.322 45.472 45.100 0.082 0.000 0.920 435 G HN 1.248 nan 8.290 nan 0.000 0.571 436 Q N -1.587 118.222 119.800 0.015 0.000 2.430 436 Q HA 0.438 4.778 4.340 -0.000 0.000 0.253 436 Q C -0.379 175.602 176.000 -0.030 0.000 0.945 436 Q CA -1.082 54.722 55.803 0.001 0.000 0.964 436 Q CB 0.820 29.557 28.738 -0.001 0.000 1.460 436 Q HN 0.661 nan 8.270 nan 0.000 0.428 437 L N 4.019 125.226 121.223 -0.026 0.000 2.483 437 L HA 0.270 4.610 4.340 -0.000 0.000 0.277 437 L C -1.735 175.097 176.870 -0.063 0.000 1.248 437 L CA -0.746 54.058 54.840 -0.059 0.000 0.825 437 L CB -0.742 41.288 42.059 -0.049 0.000 1.096 437 L HN 0.652 nan 8.230 nan 0.000 0.512 438 P HA 0.114 nan 4.420 nan 0.000 0.272 438 P C -0.752 176.529 177.300 -0.032 0.000 1.223 438 P CA -0.511 62.557 63.100 -0.053 0.000 0.784 438 P CB 0.587 32.256 31.700 -0.052 0.000 0.923 439 A N 1.927 124.735 122.820 -0.020 0.000 2.507 439 A HA -0.018 4.302 4.320 -0.000 0.000 0.235 439 A C 0.532 178.113 177.584 -0.005 0.000 1.070 439 A CA 0.025 52.055 52.037 -0.012 0.000 0.768 439 A CB -0.612 18.383 19.000 -0.009 0.000 1.011 439 A HN 0.577 nan 8.150 nan 0.000 0.502 440 D N 0.565 120.963 120.400 -0.003 0.000 2.600 440 D HA 0.307 4.947 4.640 -0.000 0.000 0.226 440 D C -0.272 176.034 176.300 0.011 0.000 1.119 440 D CA 0.259 54.262 54.000 0.004 0.000 1.051 440 D CB -0.721 40.080 40.800 0.002 0.000 1.106 440 D HN 0.653 nan 8.370 nan 0.000 0.491 441 N N 0.037 118.747 118.700 0.017 0.000 2.484 441 N HA 0.141 4.881 4.740 -0.000 0.000 0.269 441 N C 0.848 176.377 175.510 0.033 0.000 1.237 441 N CA -0.976 52.087 53.050 0.022 0.000 0.838 441 N CB 0.613 39.111 38.487 0.018 0.000 1.593 441 N HN 0.019 nan 8.380 nan 0.000 0.485 442 I N -1.744 118.848 120.570 0.037 0.000 2.700 442 I HA -0.096 4.074 4.170 -0.000 0.000 0.261 442 I C 0.332 176.481 176.117 0.052 0.000 1.219 442 I CA 0.782 62.110 61.300 0.047 0.000 1.463 442 I CB -0.225 37.801 38.000 0.044 0.000 1.092 442 I HN 0.328 nan 8.210 nan 0.000 0.452 443 V N 1.991 121.933 119.914 0.047 0.000 2.500 443 V HA -0.126 3.994 4.120 -0.000 0.000 0.243 443 V C 2.151 178.270 176.094 0.041 0.000 1.039 443 V CA 2.069 64.402 62.300 0.055 0.000 1.053 443 V CB -0.960 30.897 31.823 0.057 0.000 0.695 443 V HN 0.472 nan 8.190 nan 0.000 0.463 444 N N 0.324 119.040 118.700 0.027 0.000 2.142 444 N HA -0.057 4.683 4.740 -0.000 0.000 0.186 444 N C 1.858 177.370 175.510 0.003 0.000 1.023 444 N CA 1.262 54.316 53.050 0.006 0.000 0.852 444 N CB -0.124 38.365 38.487 0.004 0.000 0.998 444 N HN 0.373 nan 8.380 nan 0.000 0.424 445 I N 1.202 121.798 120.570 0.042 0.000 2.361 445 I HA -0.233 3.937 4.170 -0.000 0.000 0.251 445 I C 2.461 178.669 176.117 0.152 0.000 1.133 445 I CA 0.629 61.994 61.300 0.108 0.000 1.413 445 I CB -0.329 37.745 38.000 0.124 0.000 1.073 445 I HN 0.176 nan 8.210 nan 0.000 0.424 446 A N 0.434 123.296 122.820 0.070 0.000 1.873 446 A HA -0.223 4.097 4.320 -0.000 0.000 0.215 446 A C 2.256 179.779 177.584 -0.101 0.000 1.186 446 A CA 1.312 53.370 52.037 0.034 0.000 0.616 446 A CB -0.606 18.435 19.000 0.069 0.000 0.823 446 A HN 0.428 nan 8.150 nan 0.000 0.442 447 Q N 0.386 120.056 119.800 -0.216 0.000 2.181 447 Q HA -0.165 4.175 4.340 -0.000 0.000 0.205 447 Q C 2.310 177.764 176.000 -0.910 0.000 0.980 447 Q CA 1.840 57.170 55.803 -0.789 0.000 0.862 447 Q CB -0.367 28.142 28.738 -0.381 0.000 0.905 447 Q HN 0.851 nan 8.270 nan 0.000 0.429 448 S N 0.436 115.953 115.700 -0.306 0.000 2.442 448 S HA -0.167 4.303 4.470 -0.000 0.000 0.236 448 S C 2.016 176.633 174.600 0.029 0.000 1.007 448 S CA 1.187 59.320 58.200 -0.111 0.000 0.965 448 S CB -0.426 62.814 63.200 0.066 0.000 0.773 448 S HN 0.449 nan 8.310 nan 0.000 0.504 449 S N 2.065 117.725 115.700 -0.067 0.000 2.419 449 S HA -0.078 4.392 4.470 -0.000 0.000 0.235 449 S C 1.113 175.704 174.600 -0.015 0.000 1.019 449 S CA 0.776 58.860 58.200 -0.194 0.000 0.982 449 S CB -1.048 61.958 63.200 -0.323 0.000 0.789 449 S HN 0.878 nan 8.310 nan 0.000 0.490 450 F N -0.544 119.404 119.950 -0.003 0.000 2.855 450 F HA 0.776 5.303 4.527 -0.000 0.000 0.317 450 F C 1.148 176.947 175.800 -0.003 0.000 1.169 450 F CA -0.832 57.167 58.000 -0.003 0.000 1.299 450 F CB -0.094 38.905 39.000 -0.003 0.000 0.962 450 F HN 0.180 nan 8.300 nan 0.000 0.506 451 G N 0.373 109.131 108.800 -0.071 0.000 2.160 451 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.251 451 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.251 451 G C -0.126 174.700 174.900 -0.123 0.000 1.008 451 G CA 0.098 45.143 45.100 -0.092 0.000 0.724 451 G HN 0.471 nan 8.290 nan 0.000 0.514 452 Q N -1.199 118.452 119.800 -0.247 0.000 2.387 452 Q HA 0.603 4.943 4.340 -0.000 0.000 0.273 452 Q C 0.994 176.911 176.000 -0.138 0.000 1.089 452 Q CA 0.016 55.730 55.803 -0.149 0.000 0.824 452 Q CB 1.469 30.141 28.738 -0.111 0.000 1.367 452 Q HN 1.363 nan 8.270 nan 0.000 0.443 453 G N 1.065 109.873 108.800 0.014 0.000 2.162 453 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.260 453 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.260 453 G C -0.034 174.835 174.900 -0.052 0.000 0.976 453 G CA 0.647 45.748 45.100 0.001 0.000 0.655 453 G HN 0.541 nan 8.290 nan 0.000 0.533 454 I N 0.564 121.082 120.570 -0.087 0.000 2.722 454 I HA 0.670 4.840 4.170 -0.000 0.000 0.295 454 I C -0.249 175.778 176.117 -0.151 0.000 1.161 454 I CA -0.380 60.837 61.300 -0.138 0.000 1.032 454 I CB 2.124 39.989 38.000 -0.226 0.000 1.244 454 I HN 0.395 nan 8.210 nan 0.000 0.421 455 S N 6.970 122.586 115.700 -0.140 0.000 2.536 455 S HA 0.899 5.369 4.470 -0.000 0.000 0.298 455 S C -0.754 173.732 174.600 -0.189 0.000 1.083 455 S CA -0.385 57.721 58.200 -0.155 0.000 0.995 455 S CB 1.819 64.989 63.200 -0.049 0.000 1.058 455 S HN 0.883 nan 8.310 nan 0.000 0.488 456 V N -0.743 118.974 119.914 -0.328 0.000 3.182 456 V HA 0.932 5.052 4.120 -0.000 0.000 0.308 456 V C -0.176 175.800 176.094 -0.197 0.000 1.240 456 V CA -0.489 61.680 62.300 -0.217 0.000 1.063 456 V CB 1.139 32.818 31.823 -0.240 0.000 1.076 456 V HN 1.221 nan 8.190 nan 0.000 0.446 457 T N -1.672 112.908 114.554 0.044 0.000 2.952 457 T HA 0.474 4.824 4.350 -0.000 0.000 0.286 457 T C 0.579 175.444 174.700 0.275 0.000 1.024 457 T CA -0.351 61.872 62.100 0.204 0.000 1.029 457 T CB 1.868 70.849 68.868 0.188 0.000 1.094 457 T HN 0.772 nan 8.240 nan 0.000 0.515 458 Q N 0.250 120.276 119.800 0.378 0.000 2.167 458 Q HA -0.070 4.270 4.340 -0.000 0.000 0.202 458 Q C 2.423 178.531 176.000 0.180 0.000 0.970 458 Q CA 1.799 57.839 55.803 0.394 0.000 0.855 458 Q CB -0.467 28.486 28.738 0.359 0.000 0.911 458 Q HN 0.993 nan 8.270 nan 0.000 0.438 459 T N -1.140 113.452 114.554 0.064 0.000 2.867 459 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 459 T C 1.769 176.412 174.700 -0.095 0.000 1.057 459 T CA 1.016 63.051 62.100 -0.107 0.000 1.136 459 T CB -0.136 68.511 68.868 -0.368 0.000 0.874 459 T HN 0.240 nan 8.240 nan 0.000 0.466 460 Q N 0.014 119.786 119.800 -0.047 0.000 2.079 460 Q HA 0.020 4.360 4.340 -0.000 0.000 0.200 460 Q C 2.443 178.317 176.000 -0.211 0.000 0.974 460 Q CA 1.200 56.929 55.803 -0.124 0.000 0.840 460 Q CB -0.264 28.466 28.738 -0.014 0.000 0.898 460 Q HN 0.394 nan 8.270 nan 0.000 0.430 461 M N 0.139 119.646 119.600 -0.155 0.000 2.117 461 M HA -0.120 4.360 4.480 -0.000 0.000 0.262 461 M C 2.172 178.035 176.300 -0.727 0.000 1.065 461 M CA 1.395 56.380 55.300 -0.525 0.000 1.114 461 M CB -0.722 31.547 32.600 -0.550 0.000 1.361 461 M HN 0.254 nan 8.290 nan 0.000 0.408 462 I N -0.667 119.760 120.570 -0.238 0.000 2.226 462 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 462 I C 2.736 178.852 176.117 -0.002 0.000 1.100 462 I CA 1.127 62.443 61.300 0.026 0.000 1.374 462 I CB -0.462 37.600 38.000 0.104 0.000 1.057 462 I HN 0.326 nan 8.210 nan 0.000 0.413 463 R N 1.299 121.747 120.500 -0.086 0.000 2.073 463 R HA -0.193 4.147 4.340 -0.000 0.000 0.234 463 R C 2.371 178.640 176.300 -0.052 0.000 1.134 463 R CA 1.732 57.797 56.100 -0.059 0.000 0.952 463 R CB -0.256 29.982 30.300 -0.104 0.000 0.850 463 R HN 0.343 nan 8.270 nan 0.000 0.433 464 A N 0.390 123.099 122.820 -0.184 0.000 1.902 464 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 464 A C 1.895 179.501 177.584 0.036 0.000 1.181 464 A CA 1.159 53.132 52.037 -0.106 0.000 0.623 464 A CB -0.660 18.103 19.000 -0.395 0.000 0.818 464 A HN 0.369 nan 8.150 nan 0.000 0.443 465 F N 1.397 121.340 119.950 -0.011 0.000 2.216 465 F HA -0.162 4.365 4.527 -0.000 0.000 0.300 465 F C 2.918 178.740 175.800 0.037 0.000 1.085 465 F CA 1.481 59.480 58.000 -0.002 0.000 1.326 465 F CB -1.446 37.529 39.000 -0.043 0.000 1.027 465 F HN 0.417 nan 8.300 nan 0.000 0.497 466 T N -1.954 112.734 114.554 0.223 0.000 2.788 466 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 466 T C 2.192 176.968 174.700 0.125 0.000 1.044 466 T CA 1.113 63.302 62.100 0.148 0.000 1.139 466 T CB -0.854 68.080 68.868 0.109 0.000 0.867 466 T HN 0.183 nan 8.240 nan 0.000 0.454 467 A N 2.173 125.081 122.820 0.147 0.000 1.877 467 A HA 0.076 4.396 4.320 -0.000 0.000 0.216 467 A C 2.417 180.080 177.584 0.131 0.000 1.186 467 A CA 1.469 53.580 52.037 0.123 0.000 0.620 467 A CB -0.692 18.413 19.000 0.176 0.000 0.822 467 A HN 0.480 nan 8.150 nan 0.000 0.443 468 I N 0.084 120.769 120.570 0.193 0.000 2.208 468 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 468 I C 2.680 178.853 176.117 0.093 0.000 1.097 468 I CA 1.595 62.985 61.300 0.150 0.000 1.363 468 I CB -1.643 36.469 38.000 0.185 0.000 1.051 468 I HN 0.353 nan 8.210 nan 0.000 0.413 469 A N 0.048 122.925 122.820 0.096 0.000 2.208 469 A HA -0.034 4.286 4.320 -0.000 0.000 0.209 469 A C 1.061 178.669 177.584 0.040 0.000 1.161 469 A CA 0.605 52.677 52.037 0.058 0.000 0.782 469 A CB -0.626 18.409 19.000 0.058 0.000 0.816 469 A HN 0.470 nan 8.150 nan 0.000 0.477 470 N N 0.629 119.356 118.700 0.045 0.000 2.711 470 N HA 0.198 4.938 4.740 -0.000 0.000 0.263 470 N C -1.132 174.386 175.510 0.013 0.000 1.667 470 N CA -0.204 52.862 53.050 0.028 0.000 0.785 470 N CB 0.109 38.617 38.487 0.034 0.000 1.231 470 N HN 0.106 nan 8.380 nan 0.000 0.503 471 D N 1.529 121.933 120.400 0.006 0.000 2.811 471 D HA -0.193 4.447 4.640 -0.000 0.000 0.231 471 D C 0.975 177.242 176.300 -0.054 0.000 1.157 471 D CA 1.633 55.625 54.000 -0.014 0.000 0.716 471 D CB -1.343 39.453 40.800 -0.007 0.000 1.077 471 D HN 0.885 nan 8.370 nan 0.000 0.428 472 G N -1.707 107.072 108.800 -0.034 0.000 2.168 472 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.263 472 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.263 472 G C 0.362 175.169 174.900 -0.154 0.000 0.977 472 G CA 0.359 45.416 45.100 -0.071 0.000 0.659 472 G HN 0.629 nan 8.290 nan 0.000 0.533 473 V N 2.437 122.271 119.914 -0.133 0.000 2.334 473 V HA 0.471 4.591 4.120 -0.000 0.000 0.267 473 V C 1.005 177.079 176.094 -0.034 0.000 1.040 473 V CA -0.355 61.849 62.300 -0.161 0.000 0.866 473 V CB 1.279 33.041 31.823 -0.101 0.000 1.019 473 V HN 0.380 nan 8.190 nan 0.000 0.468 474 M N 5.609 125.190 119.600 -0.032 0.000 2.245 474 M HA 0.380 4.860 4.480 -0.000 0.000 0.344 474 M C -0.609 175.723 176.300 0.053 0.000 1.170 474 M CA 0.402 55.716 55.300 0.023 0.000 1.135 474 M CB 0.576 33.179 32.600 0.004 0.000 1.574 474 M HN 0.433 nan 8.290 nan 0.000 0.452 475 L N 1.463 122.725 121.223 0.064 0.000 2.354 475 L HA 0.432 4.772 4.340 -0.000 0.000 0.269 475 L C -0.225 176.691 176.870 0.077 0.000 1.005 475 L CA -0.964 53.922 54.840 0.077 0.000 0.819 475 L CB 1.970 44.077 42.059 0.080 0.000 1.311 475 L HN 0.549 nan 8.230 nan 0.000 0.423 476 E N 3.502 123.754 120.200 0.087 0.000 2.316 476 E HA 0.228 4.577 4.350 -0.000 0.000 0.275 476 E C -2.431 174.247 176.600 0.131 0.000 1.029 476 E CA -1.480 54.982 56.400 0.103 0.000 0.871 476 E CB 0.949 30.715 29.700 0.110 0.000 1.022 476 E HN 0.137 nan 8.360 nan 0.000 0.418 477 P HA 0.081 nan 4.420 nan 0.000 0.268 477 P C -1.160 176.350 177.300 0.349 0.000 1.205 477 P CA 0.230 63.448 63.100 0.196 0.000 0.771 477 P CB 0.618 32.355 31.700 0.062 0.000 0.858 478 K N 2.009 122.601 120.400 0.320 0.000 2.375 478 K HA 0.487 4.807 4.320 -0.000 0.000 0.249 478 K C -0.144 176.677 176.600 0.369 0.000 0.942 478 K CA -0.421 56.014 56.287 0.246 0.000 0.806 478 K CB 1.578 34.137 32.500 0.099 0.000 1.227 478 K HN 0.429 nan 8.250 nan 0.000 0.430 479 F N -0.813 119.293 119.950 0.260 0.000 2.856 479 F HA 0.473 5.000 4.527 0.000 0.000 0.338 479 F C -0.167 175.744 175.800 0.185 0.000 1.100 479 F CA -0.592 57.587 58.000 0.298 0.000 1.150 479 F CB 0.448 39.709 39.000 0.435 0.000 1.101 479 F HN 0.112 nan 8.300 nan 0.000 0.548 480 I N 1.186 121.593 120.570 -0.271 0.000 2.355 480 I HA 0.275 4.445 4.170 -0.000 0.000 0.288 480 I C 0.916 177.021 176.117 -0.020 0.000 0.999 480 I CA -0.508 60.710 61.300 -0.137 0.000 1.163 480 I CB 1.941 39.747 38.000 -0.322 0.000 1.316 480 I HN 0.169 nan 8.210 nan 0.000 0.454 481 S N 4.755 120.511 115.700 0.094 0.000 2.427 481 S HA 0.416 4.886 4.470 -0.000 0.000 0.224 481 S C 0.478 175.115 174.600 0.061 0.000 1.047 481 S CA 0.619 58.874 58.200 0.092 0.000 0.953 481 S CB 0.334 63.626 63.200 0.152 0.000 0.824 481 S HN 0.794 nan 8.310 nan 0.000 0.502 482 A N -0.037 122.851 122.820 0.113 0.000 2.597 482 A HA 0.663 4.983 4.320 -0.000 0.000 0.292 482 A C -1.806 175.890 177.584 0.186 0.000 1.057 482 A CA -0.710 51.373 52.037 0.078 0.000 0.674 482 A CB 0.688 19.664 19.000 -0.040 0.000 1.278 482 A HN 0.317 nan 8.150 nan 0.000 0.416 483 I N 1.225 121.881 120.570 0.144 0.000 2.466 483 I HA 0.378 4.548 4.170 -0.000 0.000 0.289 483 I C -1.271 174.982 176.117 0.227 0.000 1.026 483 I CA -0.538 60.877 61.300 0.192 0.000 1.078 483 I CB 1.889 39.936 38.000 0.078 0.000 1.249 483 I HN 0.737 nan 8.210 nan 0.000 0.429 484 Y N 5.760 126.172 120.300 0.187 0.000 2.341 484 Y HA 0.406 4.956 4.550 -0.000 0.000 0.337 484 Y C -0.634 175.337 175.900 0.119 0.000 1.014 484 Y CA -0.642 57.547 58.100 0.148 0.000 1.111 484 Y CB 1.307 39.916 38.460 0.248 0.000 1.194 484 Y HN 0.446 nan 8.280 nan 0.000 0.462 485 D N 8.362 128.358 120.400 -0.672 0.000 2.427 485 D HA 0.268 4.908 4.640 -0.000 0.000 0.226 485 D C -2.029 173.757 176.300 -0.858 0.000 1.076 485 D CA -2.426 51.259 54.000 -0.525 0.000 0.849 485 D CB 2.026 42.666 40.800 -0.268 0.000 1.052 485 D HN 0.388 nan 8.370 nan 0.000 0.515 486 P HA -0.069 nan 4.420 nan 0.000 0.225 486 P C 0.785 178.022 177.300 -0.106 0.000 1.156 486 P CA 0.410 63.384 63.100 -0.210 0.000 0.787 486 P CB 0.658 32.414 31.700 0.094 0.000 0.802 487 N N 1.130 119.761 118.700 -0.115 0.000 2.244 487 N HA -0.115 4.625 4.740 -0.000 0.000 0.183 487 N C 0.879 176.356 175.510 -0.056 0.000 1.016 487 N CA 1.642 54.656 53.050 -0.059 0.000 0.866 487 N CB -0.297 38.160 38.487 -0.049 0.000 0.980 487 N HN 0.397 nan 8.380 nan 0.000 0.430 488 D N -0.991 119.353 120.400 -0.093 0.000 2.556 488 D HA 0.037 4.677 4.640 -0.000 0.000 0.237 488 D C -0.529 175.735 176.300 -0.060 0.000 1.296 488 D CA -0.111 53.854 54.000 -0.059 0.000 0.807 488 D CB -0.148 40.623 40.800 -0.049 0.000 1.084 488 D HN -0.213 nan 8.370 nan 0.000 0.510 489 Q N 0.469 120.203 119.800 -0.111 0.000 2.452 489 Q HA -0.150 4.190 4.340 -0.000 0.000 0.318 489 Q C -0.287 175.720 176.000 0.010 0.000 1.386 489 Q CA 1.404 57.197 55.803 -0.018 0.000 0.872 489 Q CB -2.554 26.262 28.738 0.130 0.000 1.151 489 Q HN 0.674 nan 8.270 nan 0.000 0.417 490 T N -3.688 110.779 114.554 -0.145 0.000 2.907 490 T HA 0.955 5.305 4.350 -0.000 0.000 0.290 490 T C -0.339 174.352 174.700 -0.014 0.000 1.066 490 T CA -0.486 61.597 62.100 -0.029 0.000 1.012 490 T CB 2.586 71.431 68.868 -0.038 0.000 1.184 490 T HN 0.664 nan 8.240 nan 0.000 0.522 491 A N 0.670 123.523 122.820 0.055 0.000 2.593 491 A HA 0.870 5.190 4.320 -0.000 0.000 0.290 491 A C -1.140 176.464 177.584 0.033 0.000 1.126 491 A CA -1.200 50.886 52.037 0.081 0.000 0.695 491 A CB 1.503 20.586 19.000 0.139 0.000 1.290 491 A HN 0.841 nan 8.150 nan 0.000 0.414 492 R N 0.730 121.245 120.500 0.026 0.000 2.483 492 R HA 0.446 4.786 4.340 -0.000 0.000 0.303 492 R C -1.223 175.073 176.300 -0.007 0.000 0.987 492 R CA -0.497 55.603 56.100 0.000 0.000 0.881 492 R CB 2.243 32.532 30.300 -0.018 0.000 1.177 492 R HN 0.664 nan 8.270 nan 0.000 0.451 493 K N 1.014 121.405 120.400 -0.016 0.000 2.164 493 K HA 0.305 4.625 4.320 -0.000 0.000 0.258 493 K C -0.173 176.414 176.600 -0.022 0.000 0.951 493 K CA -0.550 55.724 56.287 -0.021 0.000 0.844 493 K CB 2.207 34.691 32.500 -0.028 0.000 1.099 493 K HN 0.317 nan 8.250 nan 0.000 0.435 494 S N 1.820 117.508 115.700 -0.020 0.000 2.592 494 S HA 0.153 4.623 4.470 -0.000 0.000 0.271 494 S C -0.647 173.948 174.600 -0.007 0.000 1.326 494 S CA -0.391 57.796 58.200 -0.021 0.000 1.024 494 S CB 0.566 63.753 63.200 -0.021 0.000 0.921 494 S HN 0.381 nan 8.310 nan 0.000 0.527 495 Q N 1.873 121.670 119.800 -0.005 0.000 2.359 495 Q HA 0.286 4.626 4.340 -0.000 0.000 0.274 495 Q C -0.929 175.080 176.000 0.015 0.000 1.074 495 Q CA -0.792 55.014 55.803 0.005 0.000 0.810 495 Q CB 1.982 30.721 28.738 0.002 0.000 1.342 495 Q HN 0.907 nan 8.270 nan 0.000 0.427 496 K N 0.213 120.629 120.400 0.027 0.000 2.518 496 K HA 0.049 4.369 4.320 -0.000 0.000 0.276 496 K C -0.219 176.408 176.600 0.044 0.000 0.974 496 K CA 0.229 56.540 56.287 0.041 0.000 0.986 496 K CB 0.761 33.290 32.500 0.048 0.000 0.901 496 K HN 0.524 nan 8.250 nan 0.000 0.497 497 E N 4.039 124.272 120.200 0.055 0.000 2.145 497 E HA 0.197 4.547 4.350 -0.000 0.000 0.262 497 E C -0.867 175.786 176.600 0.088 0.000 0.883 497 E CA -0.679 55.759 56.400 0.062 0.000 0.748 497 E CB 0.802 30.534 29.700 0.053 0.000 1.140 497 E HN 0.570 nan 8.360 nan 0.000 0.417 498 I N 4.969 125.604 120.570 0.108 0.000 2.496 498 I HA 0.023 4.193 4.170 -0.000 0.000 0.285 498 I C 0.951 177.165 176.117 0.161 0.000 1.080 498 I CA -0.132 61.259 61.300 0.152 0.000 1.404 498 I CB 1.194 39.320 38.000 0.211 0.000 1.403 498 I HN 0.542 nan 8.210 nan 0.000 0.539 499 V N 2.268 122.267 119.914 0.142 0.000 3.252 499 V HA 0.705 4.825 4.120 -0.000 0.000 0.320 499 V C 0.281 176.441 176.094 0.109 0.000 1.459 499 V CA 0.169 62.549 62.300 0.134 0.000 1.095 499 V CB -0.006 31.873 31.823 0.093 0.000 0.997 499 V HN 0.925 nan 8.190 nan 0.000 0.469 500 G N 0.566 109.427 108.800 0.102 0.000 2.325 500 G HA2 0.302 4.262 3.960 -0.000 0.000 0.297 500 G HA3 0.302 4.262 3.960 -0.000 0.000 0.297 500 G C -1.614 173.224 174.900 -0.102 0.000 1.448 500 G CA -0.195 44.912 45.100 0.013 0.000 0.838 500 G HN 0.261 nan 8.290 nan 0.000 0.579 501 N N 1.147 119.721 118.700 -0.210 0.000 2.703 501 N HA 0.299 5.039 4.740 -0.000 0.000 0.283 501 N C -1.319 174.002 175.510 -0.314 0.000 1.851 501 N CA -1.531 51.286 53.050 -0.388 0.000 0.826 501 N CB 1.610 39.724 38.487 -0.622 0.000 1.239 501 N HN 0.255 nan 8.380 nan 0.000 0.495 502 P HA -0.114 nan 4.420 nan 0.000 0.216 502 P C 0.569 177.681 177.300 -0.314 0.000 1.153 502 P CA 1.343 64.118 63.100 -0.542 0.000 0.858 502 P CB 0.271 31.205 31.700 -1.277 0.000 0.789 503 V N -4.382 115.398 119.914 -0.222 0.000 3.167 503 V HA 0.671 4.791 4.120 -0.000 0.000 0.310 503 V C 0.056 176.104 176.094 -0.078 0.000 1.207 503 V CA -0.913 61.353 62.300 -0.055 0.000 1.059 503 V CB 1.329 33.163 31.823 0.018 0.000 1.079 503 V HN 0.174 nan 8.190 nan 0.000 0.446 504 S N 0.078 115.756 115.700 -0.036 0.000 2.655 504 S HA 0.341 4.811 4.470 -0.000 0.000 0.265 504 S C 0.923 175.500 174.600 -0.039 0.000 1.240 504 S CA 0.343 58.516 58.200 -0.046 0.000 0.986 504 S CB 1.061 64.251 63.200 -0.017 0.000 0.985 504 S HN 1.068 nan 8.310 nan 0.000 0.562 505 K N 0.317 120.696 120.400 -0.035 0.000 2.026 505 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 505 K C 1.194 177.788 176.600 -0.010 0.000 1.048 505 K CA 1.929 58.203 56.287 -0.020 0.000 0.929 505 K CB -0.494 32.001 32.500 -0.009 0.000 0.713 505 K HN 0.654 nan 8.250 nan 0.000 0.439 506 D N 0.434 120.831 120.400 -0.006 0.000 2.117 506 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 506 D C 1.796 178.088 176.300 -0.014 0.000 0.987 506 D CA 1.363 55.361 54.000 -0.003 0.000 0.829 506 D CB -0.274 40.529 40.800 0.005 0.000 0.961 506 D HN 0.385 nan 8.370 nan 0.000 0.460 507 A N 1.162 123.970 122.820 -0.021 0.000 1.877 507 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 507 A C 2.347 179.900 177.584 -0.051 0.000 1.186 507 A CA 2.378 54.388 52.037 -0.044 0.000 0.620 507 A CB -0.788 18.190 19.000 -0.036 0.000 0.822 507 A HN 0.243 nan 8.150 nan 0.000 0.443 508 A N -0.795 122.014 122.820 -0.019 0.000 1.933 508 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 508 A C 2.458 180.033 177.584 -0.014 0.000 1.175 508 A CA 2.095 54.131 52.037 -0.002 0.000 0.628 508 A CB -0.830 18.180 19.000 0.018 0.000 0.814 508 A HN 0.448 nan 8.150 nan 0.000 0.444 509 S N -0.480 115.212 115.700 -0.014 0.000 2.348 509 S HA -0.078 4.392 4.470 -0.000 0.000 0.221 509 S C 1.878 176.466 174.600 -0.020 0.000 1.033 509 S CA 1.219 59.414 58.200 -0.008 0.000 1.010 509 S CB -0.446 62.755 63.200 0.001 0.000 0.891 509 S HN 0.520 nan 8.310 nan 0.000 0.442 510 L N 1.218 122.420 121.223 -0.035 0.000 2.079 510 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 510 L C 2.373 179.173 176.870 -0.115 0.000 1.081 510 L CA 1.346 56.158 54.840 -0.047 0.000 0.752 510 L CB -0.869 41.165 42.059 -0.042 0.000 0.896 510 L HN 0.375 nan 8.230 nan 0.000 0.433 511 T N -0.788 113.668 114.554 -0.163 0.000 2.708 511 T HA -0.233 4.117 4.350 -0.000 0.000 0.266 511 T C 1.943 176.573 174.700 -0.116 0.000 1.037 511 T CA 1.322 63.277 62.100 -0.242 0.000 1.146 511 T CB -0.167 68.590 68.868 -0.185 0.000 0.865 511 T HN 0.325 nan 8.240 nan 0.000 0.435 512 R N 0.295 120.773 120.500 -0.036 0.000 2.096 512 R HA -0.066 4.274 4.340 -0.000 0.000 0.235 512 R C 2.769 179.092 176.300 0.037 0.000 1.127 512 R CA 1.536 57.646 56.100 0.018 0.000 0.968 512 R CB -0.548 29.764 30.300 0.020 0.000 0.861 512 R HN 0.307 nan 8.270 nan 0.000 0.440 513 T N 0.950 115.516 114.554 0.020 0.000 2.684 513 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 513 T C 1.501 176.247 174.700 0.077 0.000 1.036 513 T CA 1.271 63.397 62.100 0.044 0.000 1.148 513 T CB -0.214 68.676 68.868 0.036 0.000 0.863 513 T HN 0.302 nan 8.240 nan 0.000 0.436 514 N N 0.759 119.492 118.700 0.055 0.000 2.244 514 N HA 0.057 4.797 4.740 -0.000 0.000 0.183 514 N C 1.884 177.586 175.510 0.319 0.000 1.016 514 N CA 0.876 54.015 53.050 0.148 0.000 0.866 514 N CB -0.220 38.250 38.487 -0.029 0.000 0.980 514 N HN 0.422 nan 8.380 nan 0.000 0.430 515 M N 0.319 120.090 119.600 0.285 0.000 2.213 515 M HA -0.100 4.380 4.480 -0.000 0.000 0.263 515 M C 2.058 178.472 176.300 0.189 0.000 1.062 515 M CA 0.900 56.397 55.300 0.330 0.000 1.105 515 M CB -0.033 32.702 32.600 0.225 0.000 1.385 515 M HN -0.100 nan 8.290 nan 0.000 0.417 516 V N 0.690 120.689 119.914 0.142 0.000 2.407 516 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 516 V C 2.183 178.349 176.094 0.119 0.000 1.055 516 V CA 1.502 63.866 62.300 0.108 0.000 1.049 516 V CB -0.602 31.272 31.823 0.086 0.000 0.662 516 V HN 0.485 nan 8.190 nan 0.000 0.455 517 L N -0.519 120.791 121.223 0.146 0.000 2.265 517 L HA -0.127 4.213 4.340 -0.000 0.000 0.215 517 L C 2.425 179.383 176.870 0.146 0.000 1.117 517 L CA 0.683 55.611 54.840 0.145 0.000 0.782 517 L CB -0.710 41.455 42.059 0.176 0.000 0.914 517 L HN 0.207 nan 8.230 nan 0.000 0.441 518 V N 0.388 120.389 119.914 0.146 0.000 2.380 518 V HA -0.252 3.868 4.120 -0.000 0.000 0.251 518 V C 2.261 178.414 176.094 0.097 0.000 1.063 518 V CA 2.167 64.521 62.300 0.090 0.000 1.055 518 V CB -0.792 31.046 31.823 0.025 0.000 0.657 518 V HN 0.615 nan 8.190 nan 0.000 0.455 519 G N -2.709 106.155 108.800 0.106 0.000 2.939 519 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.216 519 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.216 519 G C 1.456 176.476 174.900 0.200 0.000 1.125 519 G CA 0.786 45.964 45.100 0.129 0.000 0.766 519 G HN 0.406 nan 8.290 nan 0.000 0.541 520 T N 0.145 114.787 114.554 0.147 0.000 3.037 520 T HA 0.083 4.433 4.350 -0.000 0.000 0.252 520 T C 0.459 175.150 174.700 -0.014 0.000 1.073 520 T CA -0.092 62.083 62.100 0.125 0.000 1.091 520 T CB 0.036 68.959 68.868 0.091 0.000 0.935 520 T HN 0.182 nan 8.240 nan 0.000 0.488 521 D N 2.629 123.008 120.400 -0.033 0.000 2.344 521 D HA 0.077 4.717 4.640 -0.000 0.000 0.253 521 D C -1.413 174.629 176.300 -0.431 0.000 1.255 521 D CA -2.099 51.831 54.000 -0.117 0.000 0.894 521 D CB 1.633 42.474 40.800 0.069 0.000 1.067 521 D HN 0.139 nan 8.370 nan 0.000 0.492 522 P HA -0.123 nan 4.420 nan 0.000 0.222 522 P C 1.231 178.227 177.300 -0.507 0.000 1.147 522 P CA 0.454 62.805 63.100 -1.247 0.000 0.790 522 P CB 0.662 31.846 31.700 -0.861 0.000 0.780 523 V N -2.156 117.550 119.914 -0.347 0.000 2.581 523 V HA -0.044 4.076 4.120 -0.000 0.000 0.240 523 V C 2.106 177.943 176.094 -0.427 0.000 1.054 523 V CA 1.386 63.441 62.300 -0.409 0.000 1.076 523 V CB -1.010 30.406 31.823 -0.679 0.000 0.748 523 V HN -0.072 nan 8.190 nan 0.000 0.474 524 Y N 0.852 121.189 120.300 0.061 0.000 2.535 524 Y HA 0.488 5.038 4.550 -0.000 0.000 0.266 524 Y C 1.845 177.951 175.900 0.343 0.000 1.088 524 Y CA -0.301 57.923 58.100 0.206 0.000 1.285 524 Y CB -0.566 37.944 38.460 0.083 0.000 1.166 524 Y HN 0.226 nan 8.280 nan 0.000 0.525 525 G N 0.822 109.791 108.800 0.282 0.000 2.254 525 G HA2 0.151 4.111 3.960 -0.000 0.000 0.253 525 G HA3 0.151 4.111 3.960 -0.000 0.000 0.253 525 G C 0.985 176.014 174.900 0.214 0.000 1.246 525 G CA 0.467 45.696 45.100 0.215 0.000 0.946 525 G HN 0.387 nan 8.290 nan 0.000 0.474 526 T N 0.269 114.893 114.554 0.116 0.000 3.118 526 T HA 0.066 4.416 4.350 -0.000 0.000 0.260 526 T C 1.435 176.123 174.700 -0.020 0.000 1.139 526 T CA 0.588 62.674 62.100 -0.023 0.000 1.085 526 T CB -0.012 68.716 68.868 -0.232 0.000 0.934 526 T HN 0.404 nan 8.240 nan 0.000 0.518 527 M N 0.388 120.017 119.600 0.048 0.000 2.692 527 M HA 0.363 4.843 4.480 -0.000 0.000 0.372 527 M C -0.766 175.580 176.300 0.076 0.000 1.192 527 M CA -0.670 54.652 55.300 0.037 0.000 0.928 527 M CB 0.697 33.309 32.600 0.020 0.000 1.366 527 M HN 0.218 nan 8.290 nan 0.000 0.517 528 Y N 1.498 121.777 120.300 -0.036 0.000 2.327 528 Y HA 0.332 4.882 4.550 -0.000 0.000 0.336 528 Y C -0.043 175.786 175.900 -0.119 0.000 1.035 528 Y CA -0.559 57.478 58.100 -0.105 0.000 1.165 528 Y CB 0.617 38.965 38.460 -0.186 0.000 1.181 528 Y HN 0.087 nan 8.280 nan 0.000 0.494 529 N N 4.586 122.890 118.700 -0.660 0.000 2.437 529 N HA 0.044 4.784 4.740 -0.000 0.000 0.243 529 N C 0.201 175.279 175.510 -0.721 0.000 1.041 529 N CA 0.127 52.899 53.050 -0.463 0.000 0.940 529 N CB 0.202 38.502 38.487 -0.312 0.000 1.133 529 N HN 0.877 nan 8.380 nan 0.000 0.506 530 H N 0.987 119.868 119.070 -0.315 0.000 2.456 530 H HA -0.000 4.556 4.556 -0.000 0.000 0.296 530 H C 1.446 176.709 175.328 -0.108 0.000 1.079 530 H CA 1.423 57.400 56.048 -0.119 0.000 1.322 530 H CB 0.503 30.315 29.762 0.084 0.000 1.388 530 H HN 0.449 nan 8.280 nan 0.000 0.538 531 S N -1.106 114.581 115.700 -0.023 0.000 2.496 531 S HA -0.036 4.434 4.470 -0.000 0.000 0.224 531 S C 1.691 176.246 174.600 -0.075 0.000 0.996 531 S CA 1.165 59.348 58.200 -0.029 0.000 0.927 531 S CB 0.232 63.416 63.200 -0.027 0.000 0.774 531 S HN 0.466 nan 8.310 nan 0.000 0.524 532 T N -0.224 114.236 114.554 -0.158 0.000 3.018 532 T HA 0.343 4.693 4.350 -0.000 0.000 0.246 532 T C 1.448 176.046 174.700 -0.170 0.000 1.026 532 T CA 0.655 62.663 62.100 -0.153 0.000 1.081 532 T CB 0.256 69.021 68.868 -0.171 0.000 0.970 532 T HN 0.460 nan 8.240 nan 0.000 0.475 533 G N 2.157 110.763 108.800 -0.323 0.000 2.143 533 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.248 533 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.248 533 G C -0.055 174.753 174.900 -0.154 0.000 0.991 533 G CA 0.116 45.106 45.100 -0.184 0.000 0.689 533 G HN 0.378 nan 8.290 nan 0.000 0.522 534 K N -0.392 119.808 120.400 -0.333 0.000 2.443 534 K HA 0.592 4.912 4.320 -0.000 0.000 0.251 534 K C -2.779 173.692 176.600 -0.215 0.000 0.972 534 K CA -2.185 54.009 56.287 -0.155 0.000 0.833 534 K CB 1.800 34.244 32.500 -0.094 0.000 1.317 534 K HN -0.068 nan 8.250 nan 0.000 0.441 535 P HA 0.023 nan 4.420 nan 0.000 0.270 535 P C 0.745 177.998 177.300 -0.078 0.000 1.223 535 P CA 0.131 63.214 63.100 -0.029 0.000 0.785 535 P CB 0.395 32.113 31.700 0.029 0.000 0.923 536 T N -2.343 112.171 114.554 -0.067 0.000 2.951 536 T HA 0.012 4.362 4.350 -0.000 0.000 0.268 536 T C 0.683 175.343 174.700 -0.065 0.000 1.073 536 T CA 0.757 62.810 62.100 -0.079 0.000 1.134 536 T CB -0.349 68.477 68.868 -0.070 0.000 0.884 536 T HN 0.111 nan 8.240 nan 0.000 0.479 537 V N 2.676 122.566 119.914 -0.040 0.000 2.417 537 V HA 0.648 4.768 4.120 -0.000 0.000 0.291 537 V C 0.181 176.260 176.094 -0.025 0.000 1.024 537 V CA -0.571 61.706 62.300 -0.037 0.000 0.861 537 V CB 1.432 33.244 31.823 -0.019 0.000 0.985 537 V HN 0.741 nan 8.190 nan 0.000 0.436 538 T N 1.649 116.184 114.554 -0.032 0.000 2.865 538 T HA 0.858 5.208 4.350 -0.000 0.000 0.294 538 T C -1.129 173.561 174.700 -0.017 0.000 1.119 538 T CA -0.832 61.257 62.100 -0.018 0.000 1.007 538 T CB 2.123 70.977 68.868 -0.023 0.000 1.225 538 T HN 0.334 nan 8.240 nan 0.000 0.515 539 V N 1.596 121.509 119.914 -0.001 0.000 2.655 539 V HA 0.440 4.560 4.120 -0.000 0.000 0.301 539 V C -2.745 173.355 176.094 0.010 0.000 1.082 539 V CA -1.833 60.470 62.300 0.005 0.000 0.899 539 V CB 1.917 33.756 31.823 0.027 0.000 1.014 539 V HN 0.853 nan 8.190 nan 0.000 0.429 540 P HA 0.125 nan 4.420 nan 0.000 0.257 540 P C 1.023 178.333 177.300 0.016 0.000 1.162 540 P CA 1.782 64.886 63.100 0.007 0.000 0.762 540 P CB 0.317 32.018 31.700 0.002 0.000 0.753 541 G N 2.025 110.834 108.800 0.015 0.000 2.166 541 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.260 541 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.260 541 G C -0.086 174.829 174.900 0.025 0.000 0.986 541 G CA -0.050 45.062 45.100 0.019 0.000 0.683 541 G HN 0.608 nan 8.290 nan 0.000 0.527 542 Q N -0.739 119.078 119.800 0.028 0.000 2.456 542 Q HA 0.484 4.824 4.340 -0.000 0.000 0.283 542 Q C -0.813 175.208 176.000 0.035 0.000 1.084 542 Q CA -1.136 54.687 55.803 0.035 0.000 0.801 542 Q CB 1.260 30.025 28.738 0.046 0.000 1.434 542 Q HN 0.166 nan 8.270 nan 0.000 0.419 543 N N 0.387 119.110 118.700 0.038 0.000 2.509 543 N HA 0.438 5.178 4.740 -0.000 0.000 0.287 543 N C -1.144 174.392 175.510 0.044 0.000 1.121 543 N CA -0.167 52.908 53.050 0.041 0.000 0.977 543 N CB 1.757 40.269 38.487 0.042 0.000 1.167 543 N HN 0.209 nan 8.380 nan 0.000 0.476 544 V N 0.848 120.789 119.914 0.045 0.000 2.487 544 V HA 0.502 4.622 4.120 -0.000 0.000 0.298 544 V C 0.069 176.193 176.094 0.050 0.000 1.028 544 V CA -1.186 61.141 62.300 0.045 0.000 0.860 544 V CB 1.390 33.235 31.823 0.037 0.000 0.991 544 V HN 0.754 nan 8.190 nan 0.000 0.427 545 A N 6.446 129.294 122.820 0.047 0.000 2.409 545 A HA 0.785 5.105 4.320 -0.000 0.000 0.267 545 A C -0.519 177.090 177.584 0.041 0.000 1.127 545 A CA 0.030 52.100 52.037 0.055 0.000 0.795 545 A CB 0.015 19.042 19.000 0.046 0.000 1.061 545 A HN 0.805 nan 8.150 nan 0.000 0.502 546 L N 1.525 122.784 121.223 0.060 0.000 2.327 546 L HA 0.822 5.162 4.340 -0.000 0.000 0.258 546 L C -0.379 176.515 176.870 0.040 0.000 1.024 546 L CA -1.048 53.814 54.840 0.036 0.000 0.825 546 L CB 2.436 44.516 42.059 0.035 0.000 1.386 546 L HN 0.648 nan 8.230 nan 0.000 0.417 547 K N 0.745 121.152 120.400 0.012 0.000 2.592 547 K HA 0.354 4.674 4.320 -0.000 0.000 0.265 547 K C -1.155 175.456 176.600 0.019 0.000 1.006 547 K CA -0.238 56.043 56.287 -0.009 0.000 0.907 547 K CB 1.477 34.000 32.500 0.037 0.000 1.309 547 K HN 0.656 nan 8.250 nan 0.000 0.452 548 S N 1.167 116.859 115.700 -0.013 0.000 2.713 548 S HA 0.941 5.411 4.470 -0.000 0.000 0.283 548 S C 0.154 174.754 174.600 0.000 0.000 1.161 548 S CA -0.396 57.816 58.200 0.020 0.000 0.999 548 S CB 1.785 64.980 63.200 -0.009 0.000 1.039 548 S HN 0.785 nan 8.310 nan 0.000 0.548 549 G N -0.414 108.396 108.800 0.017 0.000 2.759 549 G HA2 0.538 4.498 3.960 -0.000 0.000 0.297 549 G HA3 0.538 4.498 3.960 -0.000 0.000 0.297 549 G C -1.271 173.556 174.900 -0.123 0.000 1.434 549 G CA -0.727 44.358 45.100 -0.025 0.000 0.980 549 G HN 0.697 nan 8.290 nan 0.000 0.531 550 T N 1.298 115.705 114.554 -0.244 0.000 3.317 550 T HA 0.583 4.933 4.350 -0.000 0.000 0.361 550 T C 0.537 175.020 174.700 -0.361 0.000 1.499 550 T CA 0.003 61.789 62.100 -0.524 0.000 1.529 550 T CB 0.774 69.224 68.868 -0.697 0.000 0.997 550 T HN 1.039 nan 8.240 nan 0.000 0.624 551 A N 2.536 125.244 122.820 -0.187 0.000 2.425 551 A HA 0.420 4.740 4.320 -0.000 0.000 0.249 551 A C 0.440 178.035 177.584 0.020 0.000 1.084 551 A CA -0.334 51.670 52.037 -0.056 0.000 0.781 551 A CB 0.321 19.338 19.000 0.028 0.000 1.019 551 A HN 0.696 nan 8.150 nan 0.000 0.490 552 Q N 0.540 120.311 119.800 -0.049 0.000 2.299 552 Q HA 0.460 4.800 4.340 -0.000 0.000 0.246 552 Q C -0.851 175.104 176.000 -0.075 0.000 0.935 552 Q CA 0.163 55.905 55.803 -0.102 0.000 0.887 552 Q CB 1.262 29.677 28.738 -0.540 0.000 1.223 552 Q HN 0.674 nan 8.270 nan 0.000 0.439 553 I N 1.658 122.242 120.570 0.023 0.000 2.354 553 I HA 0.326 4.496 4.170 -0.000 0.000 0.292 553 I C 0.061 176.354 176.117 0.293 0.000 0.989 553 I CA -0.856 60.520 61.300 0.126 0.000 1.188 553 I CB 1.571 39.590 38.000 0.032 0.000 1.342 553 I HN 0.620 nan 8.210 nan 0.000 0.457 554 A N 4.753 127.773 122.820 0.334 0.000 2.546 554 A HA -0.036 4.284 4.320 -0.000 0.000 0.243 554 A C 0.186 177.805 177.584 0.059 0.000 1.063 554 A CA 0.075 52.217 52.037 0.175 0.000 0.757 554 A CB -0.050 18.981 19.000 0.053 0.000 0.991 554 A HN 0.755 nan 8.150 nan 0.000 0.503 555 D N 2.342 122.738 120.400 -0.008 0.000 2.468 555 D HA 0.073 4.713 4.640 -0.000 0.000 0.218 555 D C 0.962 177.239 176.300 -0.039 0.000 1.155 555 D CA 0.021 54.013 54.000 -0.014 0.000 0.924 555 D CB 0.452 41.243 40.800 -0.016 0.000 1.029 555 D HN 0.763 nan 8.370 nan 0.000 0.515 556 E N 2.801 122.989 120.200 -0.020 0.000 2.047 556 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 556 E C 1.104 177.692 176.600 -0.021 0.000 0.987 556 E CA 0.647 57.033 56.400 -0.023 0.000 0.799 556 E CB 0.315 30.012 29.700 -0.005 0.000 0.752 556 E HN 0.144 nan 8.360 nan 0.000 0.449 557 K N 1.131 121.523 120.400 -0.014 0.000 2.585 557 K HA -0.100 4.220 4.320 -0.000 0.000 0.194 557 K C 0.211 176.802 176.600 -0.016 0.000 1.037 557 K CA 0.774 57.053 56.287 -0.012 0.000 0.964 557 K CB -0.344 32.151 32.500 -0.009 0.000 0.787 557 K HN 0.407 nan 8.250 nan 0.000 0.488 558 N N -1.765 116.922 118.700 -0.023 0.000 2.898 558 N HA -0.005 4.735 4.740 -0.000 0.000 0.203 558 N C 0.100 175.588 175.510 -0.036 0.000 1.276 558 N CA 0.292 53.328 53.050 -0.024 0.000 1.743 558 N CB -0.733 37.744 38.487 -0.016 0.000 1.505 558 N HN 0.068 nan 8.380 nan 0.000 0.636 559 G N 0.151 108.919 108.800 -0.052 0.000 2.960 559 G HA2 0.237 4.197 3.960 -0.000 0.000 0.267 559 G HA3 0.237 4.197 3.960 -0.000 0.000 0.267 559 G C 0.623 175.455 174.900 -0.113 0.000 1.492 559 G CA 0.774 45.824 45.100 -0.083 0.000 0.953 559 G HN 1.530 nan 8.290 nan 0.000 0.555 560 G N -0.969 107.717 108.800 -0.190 0.000 2.569 560 G HA2 0.144 4.104 3.960 -0.000 0.000 0.259 560 G HA3 0.144 4.104 3.960 -0.000 0.000 0.259 560 G C -0.238 174.428 174.900 -0.388 0.000 1.263 560 G CA 0.766 45.712 45.100 -0.257 0.000 0.928 560 G HN 1.878 nan 8.290 nan 0.000 0.572 561 Y N -0.446 119.863 120.300 0.015 0.000 2.429 561 Y HA 0.630 5.180 4.550 -0.000 0.000 0.342 561 Y C 1.086 176.971 175.900 -0.026 0.000 1.004 561 Y CA -0.941 57.161 58.100 0.003 0.000 1.075 561 Y CB 1.477 39.954 38.460 0.029 0.000 1.214 561 Y HN 0.602 nan 8.280 nan 0.000 0.455 562 L N 3.186 124.479 121.223 0.118 0.000 2.543 562 L HA 0.082 4.422 4.340 -0.000 0.000 0.285 562 L C 0.230 177.076 176.870 -0.040 0.000 1.236 562 L CA 0.243 55.085 54.840 0.003 0.000 0.871 562 L CB 0.082 42.110 42.059 -0.050 0.000 1.121 562 L HN 0.436 nan 8.230 nan 0.000 0.501 563 V N 2.296 122.185 119.914 -0.040 0.000 3.096 563 V HA 0.965 5.085 4.120 -0.000 0.000 0.319 563 V C 0.086 176.137 176.094 -0.071 0.000 1.103 563 V CA 0.377 62.654 62.300 -0.039 0.000 1.016 563 V CB 1.847 33.680 31.823 0.017 0.000 1.090 563 V HN 0.980 nan 8.190 nan 0.000 0.449 564 G N 3.142 111.919 108.800 -0.039 0.000 3.069 564 G HA2 0.029 3.989 3.960 -0.000 0.000 0.686 564 G HA3 0.029 3.989 3.960 -0.000 0.000 0.686 564 G C -1.183 173.702 174.900 -0.024 0.000 1.161 564 G CA -0.490 44.598 45.100 -0.020 0.000 0.804 564 G HN 1.135 nan 8.290 nan 0.000 0.608 565 L N 1.767 123.037 121.223 0.079 0.000 2.536 565 L HA 0.346 4.686 4.340 -0.000 0.000 0.294 565 L C 2.283 179.235 176.870 0.137 0.000 1.257 565 L CA 2.108 57.059 54.840 0.185 0.000 0.850 565 L CB -0.146 42.011 42.059 0.164 0.000 1.105 565 L HN 2.270 nan 8.230 nan 0.000 0.517 566 T N -3.158 111.591 114.554 0.324 0.000 8.089 566 T HA -0.299 4.051 4.350 -0.000 0.000 0.315 566 T C 0.652 175.416 174.700 0.106 0.000 2.025 566 T CA 1.124 63.415 62.100 0.319 0.000 3.021 566 T CB -1.873 67.064 68.868 0.114 0.000 2.356 566 T HN 0.726 nan 8.240 nan 0.000 1.220 567 D N 1.410 121.661 120.400 -0.248 0.000 3.008 567 D HA 0.406 5.046 4.640 -0.000 0.000 0.242 567 D C -0.323 175.564 176.300 -0.689 0.000 1.222 567 D CA 0.078 53.830 54.000 -0.413 0.000 0.883 567 D CB -0.282 40.264 40.800 -0.424 0.000 1.110 567 D HN 0.663 nan 8.370 nan 0.000 0.455 568 Y N -1.063 119.195 120.300 -0.071 0.000 2.638 568 Y HA 0.470 5.020 4.550 -0.000 0.000 0.339 568 Y C 0.355 176.112 175.900 -0.239 0.000 1.084 568 Y CA -1.132 56.803 58.100 -0.276 0.000 1.068 568 Y CB 1.468 39.511 38.460 -0.694 0.000 1.294 568 Y HN -0.210 nan 8.280 nan 0.000 0.480 569 I N 2.839 123.346 120.570 -0.105 0.000 2.371 569 I HA 0.247 4.417 4.170 -0.000 0.000 0.282 569 I C -1.249 174.758 176.117 -0.183 0.000 1.031 569 I CA -0.352 60.905 61.300 -0.071 0.000 1.180 569 I CB 0.187 38.172 38.000 -0.025 0.000 1.336 569 I HN 0.319 nan 8.210 nan 0.000 0.467 570 F N 4.461 124.268 119.950 -0.238 0.000 2.399 570 F HA 0.461 4.988 4.527 -0.000 0.000 0.342 570 F C 0.923 176.583 175.800 -0.233 0.000 1.106 570 F CA -0.160 57.631 58.000 -0.347 0.000 1.196 570 F CB 1.331 39.785 39.000 -0.910 0.000 1.163 570 F HN 0.446 nan 8.300 nan 0.000 0.547 571 S N 0.985 116.721 115.700 0.060 0.000 2.656 571 S HA 0.966 5.436 4.470 -0.000 0.000 0.273 571 S C -1.269 173.432 174.600 0.168 0.000 1.168 571 S CA -0.583 57.671 58.200 0.089 0.000 0.817 571 S CB 1.806 65.081 63.200 0.124 0.000 1.146 571 S HN 1.275 nan 8.310 nan 0.000 0.475 572 A N -0.084 122.858 122.820 0.203 0.000 2.605 572 A HA 0.832 5.152 4.320 -0.000 0.000 0.294 572 A C -1.473 176.258 177.584 0.246 0.000 1.062 572 A CA -0.449 51.705 52.037 0.194 0.000 0.682 572 A CB 1.305 20.396 19.000 0.152 0.000 1.278 572 A HN 2.004 nan 8.150 nan 0.000 0.410 573 V N 1.531 121.512 119.914 0.112 0.000 2.709 573 V HA 0.867 4.987 4.120 -0.000 0.000 0.308 573 V C -0.419 175.624 176.094 -0.085 0.000 1.062 573 V CA 0.343 62.615 62.300 -0.045 0.000 0.901 573 V CB 2.183 33.668 31.823 -0.564 0.000 1.003 573 V HN 1.890 nan 8.190 nan 0.000 0.425 574 S N 6.665 122.327 115.700 -0.062 0.000 2.542 574 S HA 0.855 5.325 4.470 -0.000 0.000 0.293 574 S C -0.883 173.701 174.600 -0.028 0.000 1.089 574 S CA -0.885 57.299 58.200 -0.027 0.000 0.961 574 S CB 1.969 65.177 63.200 0.015 0.000 1.062 574 S HN 0.741 nan 8.310 nan 0.000 0.483 575 M N 2.853 122.452 119.600 -0.002 0.000 2.124 575 M HA 0.432 4.912 4.480 -0.000 0.000 0.280 575 M C -1.075 175.256 176.300 0.051 0.000 0.954 575 M CA -0.349 54.964 55.300 0.021 0.000 0.958 575 M CB 2.293 34.890 32.600 -0.004 0.000 1.611 575 M HN 0.927 nan 8.290 nan 0.000 0.449 576 S N 2.544 118.299 115.700 0.091 0.000 2.547 576 S HA 0.825 5.295 4.470 -0.000 0.000 0.281 576 S C -3.153 171.504 174.600 0.096 0.000 1.118 576 S CA -1.635 56.625 58.200 0.099 0.000 0.947 576 S CB 1.993 65.269 63.200 0.126 0.000 1.053 576 S HN 0.253 nan 8.310 nan 0.000 0.482 577 P HA 0.360 nan 4.420 nan 0.000 0.274 577 P C 0.731 178.052 177.300 0.034 0.000 1.231 577 P CA -0.435 62.693 63.100 0.048 0.000 0.790 577 P CB 0.553 32.274 31.700 0.035 0.000 0.951 578 A N 2.350 125.192 122.820 0.037 0.000 1.908 578 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 578 A C 1.804 179.404 177.584 0.026 0.000 1.181 578 A CA 1.882 53.940 52.037 0.034 0.000 0.627 578 A CB -1.263 17.761 19.000 0.041 0.000 0.818 578 A HN 0.543 nan 8.150 nan 0.000 0.445 579 E N -0.361 119.853 120.200 0.024 0.000 2.077 579 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 579 E C 0.982 177.589 176.600 0.012 0.000 0.989 579 E CA 1.341 57.752 56.400 0.019 0.000 0.800 579 E CB -0.097 29.614 29.700 0.018 0.000 0.746 579 E HN 0.744 nan 8.360 nan 0.000 0.452 580 N N -0.145 118.559 118.700 0.006 0.000 2.710 580 N HA 0.170 4.910 4.740 -0.000 0.000 0.244 580 N C -2.923 172.574 175.510 -0.022 0.000 1.321 580 N CA -1.597 51.450 53.050 -0.006 0.000 0.758 580 N CB 0.842 39.324 38.487 -0.008 0.000 1.284 580 N HN -0.183 nan 8.380 nan 0.000 0.530 581 P HA 0.021 nan 4.420 nan 0.000 0.265 581 P C -0.417 176.812 177.300 -0.118 0.000 1.187 581 P CA 0.229 63.307 63.100 -0.037 0.000 0.766 581 P CB 0.878 32.575 31.700 -0.006 0.000 0.820 582 D N 0.981 121.239 120.400 -0.237 0.000 2.470 582 D HA 0.145 4.785 4.640 -0.000 0.000 0.238 582 D C 0.060 175.888 176.300 -0.786 0.000 1.054 582 D CA 0.940 54.588 54.000 -0.586 0.000 0.896 582 D CB 0.244 40.500 40.800 -0.907 0.000 1.118 582 D HN 0.262 nan 8.370 nan 0.000 0.497 583 F N 0.527 120.496 119.950 0.030 0.000 2.563 583 F HA 0.518 5.045 4.527 0.000 0.000 0.316 583 F C -0.096 175.718 175.800 0.025 0.000 1.076 583 F CA -0.932 57.087 58.000 0.032 0.000 0.921 583 F CB 2.047 41.062 39.000 0.026 0.000 1.209 583 F HN -0.366 nan 8.300 nan 0.000 0.462 584 I N 3.892 124.602 120.570 0.234 0.000 2.418 584 I HA 0.390 4.560 4.170 -0.000 0.000 0.287 584 I C -1.482 174.723 176.117 0.147 0.000 1.008 584 I CA -0.823 60.555 61.300 0.129 0.000 1.104 584 I CB 1.995 40.062 38.000 0.112 0.000 1.264 584 I HN 0.342 nan 8.210 nan 0.000 0.438 585 L N 8.068 129.354 121.223 0.105 0.000 2.333 585 L HA 0.527 4.867 4.340 -0.000 0.000 0.280 585 L C -1.629 175.355 176.870 0.191 0.000 1.004 585 L CA -0.427 54.491 54.840 0.131 0.000 0.820 585 L CB 1.345 43.451 42.059 0.077 0.000 1.247 585 L HN 0.418 nan 8.230 nan 0.000 0.416 586 Y N 5.117 125.468 120.300 0.084 0.000 2.331 586 Y HA 0.741 5.291 4.550 0.000 0.000 0.334 586 Y C -1.399 174.581 175.900 0.133 0.000 0.960 586 Y CA -1.204 56.965 58.100 0.116 0.000 1.130 586 Y CB 1.680 40.274 38.460 0.223 0.000 1.164 586 Y HN 0.371 nan 8.280 nan 0.000 0.458 587 V N 5.383 125.246 119.914 -0.084 0.000 2.656 587 V HA 0.635 4.755 4.120 -0.000 0.000 0.307 587 V C -0.475 175.446 176.094 -0.288 0.000 1.051 587 V CA -0.606 61.610 62.300 -0.140 0.000 0.893 587 V CB 2.078 33.954 31.823 0.089 0.000 0.999 587 V HN 0.849 nan 8.190 nan 0.000 0.426 588 T N 1.010 115.377 114.554 -0.312 0.000 2.876 588 T HA 0.820 5.170 4.350 -0.000 0.000 0.289 588 T C -1.063 173.524 174.700 -0.190 0.000 1.014 588 T CA -0.779 61.153 62.100 -0.279 0.000 0.986 588 T CB 1.888 70.505 68.868 -0.418 0.000 1.021 588 T HN 0.359 nan 8.240 nan 0.000 0.458 589 V N 2.906 122.728 119.914 -0.153 0.000 2.445 589 V HA 0.398 4.518 4.120 -0.000 0.000 0.283 589 V C -0.293 175.747 176.094 -0.090 0.000 1.014 589 V CA -0.732 61.458 62.300 -0.182 0.000 0.852 589 V CB 1.318 32.976 31.823 -0.275 0.000 1.021 589 V HN 1.034 nan 8.190 nan 0.000 0.435 590 Q N 3.448 123.198 119.800 -0.082 0.000 2.274 590 Q HA 0.404 4.744 4.340 -0.000 0.000 0.256 590 Q C -0.096 175.881 176.000 -0.038 0.000 0.927 590 Q CA -0.293 55.498 55.803 -0.020 0.000 0.939 590 Q CB 0.714 29.464 28.738 0.021 0.000 1.201 590 Q HN 0.730 nan 8.270 nan 0.000 0.426 591 Q N 2.111 121.926 119.800 0.026 0.000 2.437 591 Q HA -0.192 4.148 4.340 -0.000 0.000 0.354 591 Q C -2.277 173.672 176.000 -0.084 0.000 1.402 591 Q CA 0.212 56.010 55.803 -0.009 0.000 1.020 591 Q CB -1.075 27.621 28.738 -0.070 0.000 1.220 591 Q HN 0.524 nan 8.270 nan 0.000 0.368 592 P HA 0.034 nan 4.420 nan 0.000 0.278 592 P C -0.004 177.168 177.300 -0.213 0.000 1.258 592 P CA -0.170 62.813 63.100 -0.194 0.000 0.811 592 P CB 0.885 32.437 31.700 -0.246 0.000 1.063 593 E N -0.431 119.573 120.200 -0.327 0.000 2.107 593 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 593 E C 0.211 176.371 176.600 -0.733 0.000 0.982 593 E CA 1.071 57.137 56.400 -0.557 0.000 0.809 593 E CB -0.018 29.239 29.700 -0.738 0.000 0.756 593 E HN 0.558 nan 8.360 nan 0.000 0.459 594 H N -2.065 116.958 119.070 -0.078 0.000 2.930 594 H HA 0.356 4.912 4.556 -0.000 0.000 0.371 594 H C -1.589 173.689 175.328 -0.083 0.000 1.169 594 H CA -0.675 55.330 56.048 -0.070 0.000 1.157 594 H CB 1.243 30.965 29.762 -0.065 0.000 1.789 594 H HN -0.026 nan 8.280 nan 0.000 0.547 595 Y N 0.461 120.664 120.300 -0.162 0.000 2.609 595 Y HA 0.489 5.039 4.550 -0.000 0.000 0.336 595 Y C -1.131 174.656 175.900 -0.188 0.000 1.129 595 Y CA -0.389 57.528 58.100 -0.304 0.000 1.040 595 Y CB 2.364 40.339 38.460 -0.809 0.000 1.310 595 Y HN 0.709 nan 8.280 nan 0.000 0.460 596 S N 1.036 116.091 115.700 -1.076 0.000 2.580 596 S HA 0.405 4.875 4.470 -0.000 0.000 0.281 596 S C 0.308 174.487 174.600 -0.702 0.000 1.129 596 S CA -0.093 57.734 58.200 -0.621 0.000 0.862 596 S CB 0.675 63.699 63.200 -0.294 0.000 1.090 596 S HN 1.313 nan 8.310 nan 0.000 0.451 597 G N 2.329 110.923 108.800 -0.343 0.000 2.432 597 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.219 597 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.219 597 G C 1.228 176.009 174.900 -0.200 0.000 1.135 597 G CA 0.933 45.908 45.100 -0.209 0.000 0.767 597 G HN 0.727 nan 8.290 nan 0.000 0.550 598 I N -0.113 120.344 120.570 -0.188 0.000 2.361 598 I HA -0.188 3.982 4.170 -0.000 0.000 0.251 598 I C 2.938 178.956 176.117 -0.165 0.000 1.133 598 I CA 1.007 62.217 61.300 -0.150 0.000 1.413 598 I CB -0.044 37.883 38.000 -0.121 0.000 1.073 598 I HN 0.154 nan 8.210 nan 0.000 0.424 599 Q N 0.144 119.820 119.800 -0.206 0.000 2.083 599 Q HA -0.168 4.172 4.340 -0.000 0.000 0.198 599 Q C 2.039 177.873 176.000 -0.277 0.000 0.969 599 Q CA 1.237 56.957 55.803 -0.139 0.000 0.838 599 Q CB -0.338 28.372 28.738 -0.046 0.000 0.900 599 Q HN 0.365 nan 8.270 nan 0.000 0.436 600 L N -0.244 120.797 121.223 -0.304 0.000 2.046 600 L HA -0.044 4.296 4.340 -0.000 0.000 0.208 600 L C 1.894 178.615 176.870 -0.248 0.000 1.077 600 L CA 2.363 57.012 54.840 -0.319 0.000 0.747 600 L CB -1.047 40.978 42.059 -0.056 0.000 0.896 600 L HN 0.250 nan 8.230 nan 0.000 0.432 601 G N -1.153 107.538 108.800 -0.181 0.000 2.418 601 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 601 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 601 G C 1.401 176.201 174.900 -0.166 0.000 1.158 601 G CA 0.730 45.743 45.100 -0.145 0.000 0.771 601 G HN 0.565 nan 8.290 nan 0.000 0.545 602 E N -0.597 119.500 120.200 -0.171 0.000 2.268 602 E HA -0.061 4.289 4.350 -0.000 0.000 0.195 602 E C 1.924 178.409 176.600 -0.191 0.000 0.995 602 E CA 0.542 56.853 56.400 -0.148 0.000 0.836 602 E CB -0.111 29.526 29.700 -0.104 0.000 0.763 602 E HN 0.548 nan 8.360 nan 0.000 0.491 603 F N 1.176 120.855 119.950 -0.451 0.000 2.123 603 F HA 0.109 4.636 4.527 -0.000 0.000 0.289 603 F C 2.197 177.765 175.800 -0.387 0.000 1.099 603 F CA 1.233 58.917 58.000 -0.526 0.000 1.234 603 F CB -0.434 37.942 39.000 -1.041 0.000 1.034 603 F HN -0.081 nan 8.300 nan 0.000 0.479 604 A N 0.855 123.386 122.820 -0.482 0.000 1.872 604 A HA -0.133 4.187 4.320 -0.000 0.000 0.214 604 A C 2.004 179.391 177.584 -0.329 0.000 1.187 604 A CA 1.641 53.409 52.037 -0.449 0.000 0.614 604 A CB -1.062 17.857 19.000 -0.135 0.000 0.826 604 A HN 0.521 nan 8.150 nan 0.000 0.442 605 N N 0.413 118.980 118.700 -0.220 0.000 2.060 605 N HA -0.138 4.602 4.740 -0.000 0.000 0.195 605 N C -0.782 174.653 175.510 -0.125 0.000 1.028 605 N CA 2.033 54.997 53.050 -0.144 0.000 0.861 605 N CB -1.838 36.586 38.487 -0.106 0.000 1.029 605 N HN 0.342 nan 8.380 nan 0.000 0.428 606 P HA -0.006 nan 4.420 nan 0.000 0.218 606 P C 1.557 178.933 177.300 0.127 0.000 1.149 606 P CA 0.794 63.903 63.100 0.015 0.000 0.817 606 P CB 0.067 31.770 31.700 0.006 0.000 0.785 607 I N -1.369 119.115 120.570 -0.144 0.000 2.202 607 I HA -0.189 3.981 4.170 -0.000 0.000 0.242 607 I C 2.215 178.251 176.117 -0.135 0.000 1.091 607 I CA 1.247 62.477 61.300 -0.117 0.000 1.368 607 I CB -0.601 37.157 38.000 -0.403 0.000 1.058 607 I HN -0.120 nan 8.210 nan 0.000 0.410 608 L N 0.349 121.467 121.223 -0.174 0.000 2.141 608 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 608 L C 2.557 179.346 176.870 -0.134 0.000 1.094 608 L CA 1.237 55.971 54.840 -0.177 0.000 0.763 608 L CB -0.536 41.458 42.059 -0.109 0.000 0.908 608 L HN 0.345 nan 8.230 nan 0.000 0.437 609 E N 0.503 120.657 120.200 -0.076 0.000 2.047 609 E HA -0.279 4.071 4.350 -0.000 0.000 0.191 609 E C 2.295 178.855 176.600 -0.066 0.000 0.987 609 E CA 1.050 57.421 56.400 -0.048 0.000 0.799 609 E CB 0.136 29.821 29.700 -0.024 0.000 0.752 609 E HN 0.160 nan 8.360 nan 0.000 0.449 610 R N 0.665 121.124 120.500 -0.069 0.000 2.073 610 R HA -0.097 4.243 4.340 -0.000 0.000 0.234 610 R C 2.058 178.277 176.300 -0.135 0.000 1.134 610 R CA 1.795 57.829 56.100 -0.111 0.000 0.952 610 R CB -0.789 29.433 30.300 -0.130 0.000 0.850 610 R HN 0.234 nan 8.270 nan 0.000 0.433 611 A N -0.566 122.111 122.820 -0.238 0.000 1.883 611 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 611 A C 2.246 179.675 177.584 -0.258 0.000 1.186 611 A CA 2.117 53.876 52.037 -0.463 0.000 0.624 611 A CB -0.829 17.534 19.000 -1.062 0.000 0.822 611 A HN 0.448 nan 8.150 nan 0.000 0.444 612 S N -0.072 115.555 115.700 -0.122 0.000 2.383 612 S HA 0.015 4.485 4.470 -0.000 0.000 0.227 612 S C 2.287 176.941 174.600 0.091 0.000 1.026 612 S CA 1.087 59.369 58.200 0.137 0.000 0.981 612 S CB -0.471 62.794 63.200 0.107 0.000 0.818 612 S HN 0.800 nan 8.310 nan 0.000 0.472 613 A N 1.623 124.454 122.820 0.018 0.000 1.902 613 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 613 A C 2.154 179.752 177.584 0.024 0.000 1.181 613 A CA 1.411 53.454 52.037 0.011 0.000 0.623 613 A CB -0.622 18.364 19.000 -0.024 0.000 0.818 613 A HN 0.456 nan 8.150 nan 0.000 0.443 614 M N -0.992 118.621 119.600 0.020 0.000 2.117 614 M HA -0.162 4.318 4.480 -0.000 0.000 0.262 614 M C 2.240 178.594 176.300 0.091 0.000 1.065 614 M CA 2.037 57.362 55.300 0.041 0.000 1.114 614 M CB -0.229 32.390 32.600 0.031 0.000 1.361 614 M HN 0.361 nan 8.290 nan 0.000 0.408 615 K N 0.838 121.335 120.400 0.163 0.000 2.103 615 K HA -0.176 4.144 4.320 -0.000 0.000 0.207 615 K C 1.213 177.871 176.600 0.097 0.000 1.048 615 K CA 1.762 58.156 56.287 0.179 0.000 0.930 615 K CB -0.289 32.383 32.500 0.288 0.000 0.716 615 K HN 0.263 nan 8.250 nan 0.000 0.444 616 D N -0.684 119.765 120.400 0.081 0.000 2.224 616 D HA -0.029 4.611 4.640 -0.000 0.000 0.205 616 D C 1.478 177.800 176.300 0.035 0.000 0.965 616 D CA 1.003 55.033 54.000 0.050 0.000 0.852 616 D CB 0.197 41.022 40.800 0.041 0.000 0.947 616 D HN 0.212 nan 8.370 nan 0.000 0.494 617 S N 0.181 115.901 115.700 0.035 0.000 2.444 617 S HA 0.120 4.590 4.470 -0.000 0.000 0.223 617 S C 1.051 175.665 174.600 0.023 0.000 1.054 617 S CA -0.349 57.865 58.200 0.023 0.000 0.947 617 S CB 0.188 63.396 63.200 0.013 0.000 0.850 617 S HN 0.151 nan 8.310 nan 0.000 0.527 618 L N 3.313 124.555 121.223 0.031 0.000 2.769 618 L HA -0.093 4.247 4.340 -0.000 0.000 0.293 618 L C 0.246 177.131 176.870 0.024 0.000 1.224 618 L CA 0.290 55.148 54.840 0.030 0.000 0.906 618 L CB -0.368 41.718 42.059 0.044 0.000 1.193 618 L HN 0.278 nan 8.230 nan 0.000 0.488 619 N N 3.937 122.648 118.700 0.017 0.000 2.765 619 N HA 0.287 5.027 4.740 -0.000 0.000 0.277 619 N C -0.723 174.793 175.510 0.009 0.000 1.750 619 N CA -0.293 52.764 53.050 0.012 0.000 0.827 619 N CB 0.391 38.883 38.487 0.009 0.000 1.200 619 N HN 0.338 nan 8.380 nan 0.000 0.494 633 Q N 1.248 121.054 119.800 0.010 0.000 2.267 633 Q HA 0.405 4.745 4.340 -0.000 0.000 0.255 633 Q C -0.584 175.423 176.000 0.011 0.000 0.923 633 Q CA -0.296 55.513 55.803 0.011 0.000 0.925 633 Q CB 1.513 30.257 28.738 0.010 0.000 1.195 633 Q HN 0.429 nan 8.270 nan 0.000 0.417 634 S N 4.504 120.210 115.700 0.010 0.000 2.549 634 S HA 0.183 4.653 4.470 -0.000 0.000 0.283 634 S C -1.901 172.724 174.600 0.041 0.000 1.320 634 S CA -0.904 57.302 58.200 0.010 0.000 1.058 634 S CB 0.097 63.297 63.200 0.001 0.000 0.882 634 S HN 0.460 nan 8.310 nan 0.000 0.498 635 P HA 0.215 nan 4.420 nan 0.000 0.275 635 P C -1.300 176.076 177.300 0.127 0.000 1.228 635 P CA -0.283 62.852 63.100 0.059 0.000 0.786 635 P CB 0.401 32.114 31.700 0.022 0.000 0.927 636 Y N 3.733 124.024 120.300 -0.014 0.000 2.330 636 Y HA 0.381 4.931 4.550 -0.000 0.000 0.324 636 Y C -2.844 173.049 175.900 -0.011 0.000 1.093 636 Y CA -2.633 55.460 58.100 -0.012 0.000 1.103 636 Y CB 2.039 40.492 38.460 -0.012 0.000 1.183 636 Y HN 0.232 nan 8.280 nan 0.000 0.433 637 P HA 0.174 nan 4.420 nan 0.000 0.286 637 P C -0.365 176.552 177.300 -0.640 0.000 1.269 637 P CA -0.476 62.349 63.100 -0.459 0.000 0.787 637 P CB 1.412 32.949 31.700 -0.272 0.000 0.920 638 M N 6.521 125.915 119.600 -0.343 0.000 2.338 638 M HA 0.104 4.584 4.480 -0.000 0.000 0.360 638 M C -2.363 173.820 176.300 -0.196 0.000 1.547 638 M CA -0.993 54.175 55.300 -0.219 0.000 1.001 638 M CB -0.838 31.709 32.600 -0.089 0.000 2.008 638 M HN 0.228 nan 8.290 nan 0.000 0.464 639 P HA 0.126 nan 4.420 nan 0.000 0.282 639 P C -1.148 176.124 177.300 -0.046 0.000 1.286 639 P CA -0.530 62.522 63.100 -0.079 0.000 0.777 639 P CB 0.463 32.163 31.700 0.000 0.000 1.184 640 S N -0.577 115.106 115.700 -0.029 0.000 2.537 640 S HA 0.187 4.657 4.470 -0.000 0.000 0.275 640 S C 0.809 175.401 174.600 -0.013 0.000 1.272 640 S CA -0.668 57.517 58.200 -0.023 0.000 1.050 640 S CB -0.303 62.884 63.200 -0.021 0.000 0.961 640 S HN 0.267 nan 8.310 nan 0.000 0.496 641 V N 1.951 121.854 119.914 -0.017 0.000 3.577 641 V HA 0.476 4.596 4.120 -0.000 0.000 0.294 641 V C 0.371 176.453 176.094 -0.019 0.000 1.317 641 V CA -0.275 62.015 62.300 -0.016 0.000 1.169 641 V CB -1.045 30.763 31.823 -0.025 0.000 1.011 641 V HN 0.589 nan 8.190 nan 0.000 0.426 642 K N 1.413 121.803 120.400 -0.018 0.000 2.201 642 K HA 0.314 4.634 4.320 -0.000 0.000 0.278 642 K C 0.371 176.964 176.600 -0.012 0.000 1.027 642 K CA 0.096 56.372 56.287 -0.018 0.000 0.909 642 K CB 0.211 32.699 32.500 -0.019 0.000 1.062 642 K HN 0.352 nan 8.250 nan 0.000 0.465 643 D N 1.798 122.191 120.400 -0.012 0.000 2.751 643 D HA -0.264 4.376 4.640 -0.000 0.000 0.233 643 D C -0.525 175.774 176.300 -0.002 0.000 1.149 643 D CA 1.054 55.050 54.000 -0.007 0.000 0.682 643 D CB -0.898 39.898 40.800 -0.007 0.000 1.068 643 D HN 0.505 nan 8.370 nan 0.000 0.429 644 I N -0.011 120.558 120.570 -0.001 0.000 2.656 644 I HA 0.187 4.357 4.170 -0.000 0.000 0.292 644 I C 0.087 176.209 176.117 0.008 0.000 1.144 644 I CA -0.530 60.775 61.300 0.007 0.000 1.038 644 I CB 1.734 39.742 38.000 0.012 0.000 1.244 644 I HN -0.018 nan 8.210 nan 0.000 0.420 645 S N 5.804 121.512 115.700 0.014 0.000 2.603 645 S HA 0.413 4.883 4.470 -0.000 0.000 0.268 645 S C -2.120 172.494 174.600 0.023 0.000 1.317 645 S CA -0.829 57.381 58.200 0.016 0.000 1.012 645 S CB 1.060 64.272 63.200 0.020 0.000 0.926 645 S HN 0.499 nan 8.310 nan 0.000 0.539 646 P HA -0.014 nan 4.420 nan 0.000 0.215 646 P C 1.780 179.106 177.300 0.044 0.000 1.153 646 P CA 1.684 64.803 63.100 0.032 0.000 0.853 646 P CB -0.481 31.239 31.700 0.034 0.000 0.788 647 G N -0.101 108.727 108.800 0.047 0.000 2.446 647 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 647 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 647 G C 1.259 176.198 174.900 0.064 0.000 1.168 647 G CA 1.095 46.231 45.100 0.060 0.000 0.771 647 G HN 0.186 nan 8.290 nan 0.000 0.551 648 D N 0.081 120.513 120.400 0.054 0.000 2.144 648 D HA -0.048 4.592 4.640 -0.000 0.000 0.200 648 D C 2.411 178.743 176.300 0.053 0.000 0.978 648 D CA 0.150 54.182 54.000 0.054 0.000 0.833 648 D CB -0.209 40.618 40.800 0.044 0.000 0.961 648 D HN 0.226 nan 8.370 nan 0.000 0.470 649 L N 0.702 121.954 121.223 0.048 0.000 2.046 649 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 649 L C 2.251 179.156 176.870 0.058 0.000 1.077 649 L CA 1.290 56.161 54.840 0.051 0.000 0.747 649 L CB -0.309 41.775 42.059 0.042 0.000 0.896 649 L HN -0.050 nan 8.230 nan 0.000 0.432 650 A N 0.068 122.922 122.820 0.057 0.000 1.883 650 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 650 A C 1.983 179.601 177.584 0.057 0.000 1.186 650 A CA 1.935 54.007 52.037 0.058 0.000 0.624 650 A CB -0.569 18.470 19.000 0.065 0.000 0.822 650 A HN 0.598 nan 8.150 nan 0.000 0.444 651 E N -0.679 119.560 120.200 0.065 0.000 2.051 651 E HA -0.243 4.107 4.350 -0.000 0.000 0.192 651 E C 2.097 178.717 176.600 0.034 0.000 0.991 651 E CA 1.273 57.709 56.400 0.059 0.000 0.799 651 E CB -0.252 29.491 29.700 0.071 0.000 0.748 651 E HN 0.852 nan 8.360 nan 0.000 0.449 652 E N 1.286 121.513 120.200 0.046 0.000 2.058 652 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 652 E C 2.198 178.818 176.600 0.034 0.000 0.997 652 E CA 0.860 57.290 56.400 0.050 0.000 0.801 652 E CB -0.060 29.688 29.700 0.079 0.000 0.746 652 E HN 0.207 nan 8.360 nan 0.000 0.450 653 L N 0.173 121.427 121.223 0.051 0.000 2.131 653 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 653 L C 2.802 179.625 176.870 -0.079 0.000 1.092 653 L CA 1.054 55.912 54.840 0.029 0.000 0.759 653 L CB -0.335 41.768 42.059 0.073 0.000 0.903 653 L HN 0.122 nan 8.230 nan 0.000 0.435 654 R N -0.245 120.221 120.500 -0.056 0.000 2.148 654 R HA -0.045 4.295 4.340 -0.000 0.000 0.223 654 R C 2.238 178.436 176.300 -0.171 0.000 1.088 654 R CA 0.580 56.621 56.100 -0.097 0.000 0.985 654 R CB -0.102 30.168 30.300 -0.049 0.000 0.880 654 R HN 0.324 nan 8.270 nan 0.000 0.451 655 R N 0.376 120.794 120.500 -0.138 0.000 2.285 655 R HA -0.004 4.336 4.340 -0.000 0.000 0.213 655 R C 0.643 176.818 176.300 -0.207 0.000 1.068 655 R CA 0.692 56.707 56.100 -0.142 0.000 1.004 655 R CB 0.033 30.301 30.300 -0.053 0.000 0.873 655 R HN 0.245 nan 8.270 nan 0.000 0.467 656 N N 0.415 118.927 118.700 -0.313 0.000 2.282 656 N HA 0.132 4.872 4.740 -0.000 0.000 0.240 656 N C -0.176 175.098 175.510 -0.394 0.000 1.182 656 N CA 0.035 52.786 53.050 -0.498 0.000 0.874 656 N CB 0.947 38.720 38.487 -1.190 0.000 1.126 656 N HN 0.057 nan 8.380 nan 0.000 0.516 657 L N -0.421 120.651 121.223 -0.251 0.000 4.040 657 L HA -0.198 4.142 4.340 -0.000 0.000 0.410 657 L C -0.535 176.260 176.870 -0.125 0.000 1.187 657 L CA 0.191 54.931 54.840 -0.167 0.000 0.956 657 L CB -2.019 39.962 42.059 -0.130 0.000 2.022 657 L HN -0.088 nan 8.230 nan 0.000 0.897 658 V N 0.026 119.863 119.914 -0.129 0.000 2.617 658 V HA 0.268 4.388 4.120 -0.000 0.000 0.298 658 V C 0.674 176.747 176.094 -0.034 0.000 1.048 658 V CA -0.233 62.035 62.300 -0.053 0.000 0.964 658 V CB 1.817 33.640 31.823 0.001 0.000 1.004 658 V HN 0.181 nan 8.190 nan 0.000 0.466 659 Q N 5.472 125.261 119.800 -0.020 0.000 2.509 659 Q HA 0.311 4.651 4.340 -0.000 0.000 0.236 659 Q C -2.450 173.538 176.000 -0.020 0.000 1.073 659 Q CA -1.666 54.129 55.803 -0.014 0.000 0.867 659 Q CB 1.554 30.284 28.738 -0.013 0.000 1.181 659 Q HN 0.518 nan 8.270 nan 0.000 0.526 660 P HA 0.214 nan 4.420 nan 0.000 0.276 660 P C -0.534 176.755 177.300 -0.017 0.000 1.244 660 P CA -0.161 62.936 63.100 -0.005 0.000 0.801 660 P CB 1.383 33.098 31.700 0.025 0.000 1.006 661 I N 1.413 121.955 120.570 -0.048 0.000 2.517 661 I HA 0.168 4.338 4.170 -0.000 0.000 0.280 661 I C -0.267 175.856 176.117 0.011 0.000 1.061 661 I CA -1.012 60.258 61.300 -0.050 0.000 1.091 661 I CB 2.006 39.833 38.000 -0.288 0.000 1.205 661 I HN -0.035 nan 8.210 nan 0.000 0.459 662 V N 6.904 126.862 119.914 0.073 0.000 2.488 662 V HA 0.244 4.364 4.120 -0.000 0.000 0.277 662 V C 0.217 176.392 176.094 0.135 0.000 1.046 662 V CA -0.419 61.934 62.300 0.090 0.000 0.986 662 V CB 1.603 33.474 31.823 0.079 0.000 0.989 662 V HN 0.361 nan 8.190 nan 0.000 0.475 663 V N 5.095 125.095 119.914 0.144 0.000 2.347 663 V HA 0.898 5.018 4.120 -0.000 0.000 0.280 663 V C 0.598 176.765 176.094 0.122 0.000 1.021 663 V CA 0.486 62.894 62.300 0.179 0.000 0.847 663 V CB 0.590 32.558 31.823 0.241 0.000 0.990 663 V HN 1.323 nan 8.190 nan 0.000 0.444 664 G N 4.178 113.039 108.800 0.101 0.000 2.661 664 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.685 664 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.685 664 G C 0.197 175.127 174.900 0.050 0.000 1.298 664 G CA -0.118 45.022 45.100 0.066 0.000 0.855 664 G HN 1.279 nan 8.290 nan 0.000 0.560 665 T N -1.534 113.041 114.554 0.035 0.000 3.176 665 T HA 0.578 4.928 4.350 -0.000 0.000 0.263 665 T C 1.273 175.985 174.700 0.021 0.000 1.021 665 T CA 1.084 63.200 62.100 0.027 0.000 0.905 665 T CB 0.462 69.341 68.868 0.019 0.000 1.057 665 T HN 1.934 nan 8.240 nan 0.000 0.558 666 G N 1.354 110.166 108.800 0.020 0.000 2.544 666 G HA2 0.370 4.330 3.960 -0.000 0.000 0.242 666 G HA3 0.370 4.330 3.960 -0.000 0.000 0.242 666 G C 0.927 175.834 174.900 0.011 0.000 1.247 666 G CA 0.074 45.180 45.100 0.011 0.000 0.840 666 G HN 0.396 nan 8.290 nan 0.000 0.578 667 T N -1.909 112.648 114.554 0.005 0.000 3.107 667 T HA 0.284 4.634 4.350 -0.000 0.000 0.249 667 T C 0.643 175.343 174.700 0.001 0.000 1.096 667 T CA 0.208 62.312 62.100 0.006 0.000 1.012 667 T CB -0.096 68.774 68.868 0.003 0.000 0.977 667 T HN 0.432 nan 8.240 nan 0.000 0.527 668 K N 0.567 120.964 120.400 -0.005 0.000 2.435 668 K HA 0.601 4.921 4.320 -0.000 0.000 0.251 668 K C -1.115 175.472 176.600 -0.022 0.000 0.954 668 K CA -0.968 55.311 56.287 -0.013 0.000 0.820 668 K CB 2.437 34.925 32.500 -0.019 0.000 1.292 668 K HN 0.099 nan 8.250 nan 0.000 0.436 669 I N 2.785 123.336 120.570 -0.030 0.000 2.312 669 I HA 0.072 4.242 4.170 -0.000 0.000 0.291 669 I C 1.334 177.400 176.117 -0.084 0.000 1.031 669 I CA -0.185 61.086 61.300 -0.048 0.000 1.293 669 I CB 0.888 38.864 38.000 -0.040 0.000 1.403 669 I HN 0.539 nan 8.210 nan 0.000 0.484 670 K N 4.563 124.892 120.400 -0.118 0.000 2.166 670 K HA 0.124 4.444 4.320 -0.000 0.000 0.201 670 K C 0.315 176.749 176.600 -0.276 0.000 1.052 670 K CA 1.056 57.242 56.287 -0.168 0.000 0.969 670 K CB 0.282 32.686 32.500 -0.159 0.000 0.761 670 K HN 0.639 nan 8.250 nan 0.000 0.459 671 N N -0.829 117.649 118.700 -0.369 0.000 2.927 671 N HA 0.143 4.883 4.740 -0.000 0.000 0.248 671 N C -2.041 173.226 175.510 -0.406 0.000 1.443 671 N CA -0.258 52.454 53.050 -0.563 0.000 0.870 671 N CB 1.854 39.597 38.487 -1.241 0.000 1.444 671 N HN 0.046 nan 8.380 nan 0.000 0.519 672 S N -1.216 114.352 115.700 -0.221 0.000 2.535 672 S HA 0.285 4.755 4.470 -0.000 0.000 0.272 672 S C 0.543 175.363 174.600 0.366 0.000 1.149 672 S CA -0.070 58.211 58.200 0.134 0.000 0.888 672 S CB 0.788 64.020 63.200 0.052 0.000 1.110 672 S HN 0.576 nan 8.310 nan 0.000 0.463 673 S N 1.007 116.965 115.700 0.431 0.000 2.537 673 S HA 0.316 4.786 4.470 -0.000 0.000 0.240 673 S C 0.772 175.448 174.600 0.127 0.000 0.981 673 S CA 0.307 58.655 58.200 0.247 0.000 0.948 673 S CB -0.501 62.713 63.200 0.024 0.000 0.759 673 S HN 1.563 nan 8.310 nan 0.000 0.531 674 A N 0.866 123.747 122.820 0.102 0.000 2.371 674 A HA 0.714 5.034 4.320 -0.000 0.000 0.311 674 A C -0.850 176.754 177.584 0.034 0.000 1.068 674 A CA -0.913 51.153 52.037 0.049 0.000 0.744 674 A CB 1.114 20.130 19.000 0.026 0.000 1.239 674 A HN 0.258 nan 8.150 nan 0.000 0.435 675 E N 1.105 121.315 120.200 0.018 0.000 2.343 675 E HA 0.337 4.687 4.350 -0.000 0.000 0.269 675 E C 0.057 176.645 176.600 -0.020 0.000 1.047 675 E CA -0.469 55.932 56.400 0.002 0.000 0.874 675 E CB 0.651 30.352 29.700 0.002 0.000 1.033 675 E HN 0.689 nan 8.360 nan 0.000 0.409 676 E N 0.782 120.965 120.200 -0.028 0.000 2.534 676 E HA 0.007 4.357 4.350 -0.000 0.000 0.264 676 E C 0.854 177.421 176.600 -0.055 0.000 0.981 676 E CA 1.122 57.495 56.400 -0.045 0.000 0.948 676 E CB 0.043 29.719 29.700 -0.040 0.000 0.934 676 E HN 0.680 nan 8.360 nan 0.000 0.459 677 G N 3.899 112.649 108.800 -0.084 0.000 2.304 677 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.252 677 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.252 677 G C 0.353 175.203 174.900 -0.085 0.000 1.014 677 G CA 0.575 45.623 45.100 -0.088 0.000 0.619 677 G HN 0.627 nan 8.290 nan 0.000 0.525 678 K N 1.126 121.486 120.400 -0.067 0.000 2.436 678 K HA 0.212 4.532 4.320 -0.000 0.000 0.275 678 K C 0.397 176.957 176.600 -0.066 0.000 0.999 678 K CA 0.018 56.275 56.287 -0.050 0.000 0.980 678 K CB 0.112 32.595 32.500 -0.028 0.000 0.919 678 K HN 0.288 nan 8.250 nan 0.000 0.484 679 N N 3.006 121.680 118.700 -0.043 0.000 2.520 679 N HA 0.123 4.863 4.740 -0.000 0.000 0.273 679 N C -1.498 174.015 175.510 0.004 0.000 1.155 679 N CA -0.355 52.677 53.050 -0.030 0.000 0.967 679 N CB 0.432 38.912 38.487 -0.011 0.000 1.092 679 N HN 0.314 nan 8.380 nan 0.000 0.457 680 L N 2.918 124.172 121.223 0.052 0.000 2.316 680 L HA 0.534 4.874 4.340 -0.000 0.000 0.280 680 L C 0.242 177.175 176.870 0.106 0.000 1.006 680 L CA -0.856 54.043 54.840 0.098 0.000 0.836 680 L CB 0.521 42.694 42.059 0.191 0.000 1.221 680 L HN 0.682 nan 8.230 nan 0.000 0.418 681 A N 5.779 128.630 122.820 0.052 0.000 2.448 681 A HA 0.555 4.875 4.320 -0.000 0.000 0.239 681 A C -2.196 175.406 177.584 0.029 0.000 1.080 681 A CA -0.787 51.272 52.037 0.035 0.000 0.779 681 A CB -0.569 18.439 19.000 0.013 0.000 1.026 681 A HN 0.554 nan 8.150 nan 0.000 0.499 682 P HA 0.077 nan 4.420 nan 0.000 0.265 682 P C -0.096 177.196 177.300 -0.014 0.000 1.193 682 P CA 0.393 63.487 63.100 -0.011 0.000 0.765 682 P CB 0.229 31.920 31.700 -0.015 0.000 0.823 683 N N -0.851 117.834 118.700 -0.025 0.000 2.828 683 N HA -0.215 4.525 4.740 -0.000 0.000 0.248 683 N C 0.145 175.644 175.510 -0.018 0.000 1.044 683 N CA 0.809 53.846 53.050 -0.022 0.000 0.851 683 N CB -1.314 37.163 38.487 -0.017 0.000 1.136 683 N HN 0.634 nan 8.380 nan 0.000 0.572 684 Q N 1.044 120.838 119.800 -0.011 0.000 2.364 684 Q HA 0.073 4.413 4.340 -0.000 0.000 0.267 684 Q C -0.146 175.837 176.000 -0.028 0.000 0.999 684 Q CA 0.290 56.084 55.803 -0.015 0.000 0.886 684 Q CB 0.558 29.297 28.738 0.001 0.000 1.243 684 Q HN 0.183 nan 8.270 nan 0.000 0.415 685 Q N 1.925 121.692 119.800 -0.056 0.000 2.286 685 Q HA 0.341 4.681 4.340 -0.000 0.000 0.257 685 Q C -1.124 174.817 176.000 -0.098 0.000 0.941 685 Q CA -0.357 55.389 55.803 -0.095 0.000 0.912 685 Q CB 1.522 30.170 28.738 -0.151 0.000 1.192 685 Q HN 0.362 nan 8.270 nan 0.000 0.410 686 V N 4.454 124.316 119.914 -0.087 0.000 2.443 686 V HA 0.284 4.404 4.120 -0.000 0.000 0.293 686 V C -0.261 175.790 176.094 -0.071 0.000 1.021 686 V CA -0.641 61.627 62.300 -0.053 0.000 0.848 686 V CB 1.503 33.330 31.823 0.007 0.000 0.998 686 V HN 0.694 nan 8.190 nan 0.000 0.424 687 L N 5.915 127.097 121.223 -0.070 0.000 2.331 687 L HA 0.494 4.834 4.340 -0.000 0.000 0.278 687 L C -0.504 176.461 176.870 0.157 0.000 1.106 687 L CA 0.003 54.826 54.840 -0.027 0.000 0.824 687 L CB 0.953 42.958 42.059 -0.090 0.000 1.142 687 L HN 0.533 nan 8.230 nan 0.000 0.443 688 I N 5.526 126.167 120.570 0.119 0.000 2.466 688 I HA 0.241 4.410 4.170 -0.000 0.000 0.279 688 I C -0.421 175.759 176.117 0.105 0.000 1.033 688 I CA -0.273 61.086 61.300 0.098 0.000 1.123 688 I CB 1.615 39.648 38.000 0.054 0.000 1.237 688 I HN 0.434 nan 8.210 nan 0.000 0.460 689 L N 6.601 127.870 121.223 0.077 0.000 2.278 689 L HA 0.337 4.677 4.340 -0.000 0.000 0.287 689 L C 0.832 177.691 176.870 -0.018 0.000 1.072 689 L CA 0.020 54.892 54.840 0.054 0.000 0.819 689 L CB 0.991 43.024 42.059 -0.043 0.000 1.176 689 L HN 0.726 nan 8.230 nan 0.000 0.435 690 S N 2.352 118.064 115.700 0.021 0.000 2.634 690 S HA 0.061 4.531 4.470 -0.000 0.000 0.261 690 S C 0.745 175.337 174.600 -0.013 0.000 1.271 690 S CA -0.469 57.733 58.200 0.003 0.000 0.985 690 S CB 0.907 64.121 63.200 0.023 0.000 0.968 690 S HN 0.731 nan 8.310 nan 0.000 0.568 691 D N -0.949 119.440 120.400 -0.018 0.000 2.332 691 D HA 0.047 4.687 4.640 -0.000 0.000 0.244 691 D C 0.049 176.344 176.300 -0.008 0.000 1.136 691 D CA 0.160 54.146 54.000 -0.023 0.000 0.884 691 D CB -0.300 40.485 40.800 -0.025 0.000 0.906 691 D HN 0.592 nan 8.370 nan 0.000 0.520 692 K N 0.281 120.684 120.400 0.005 0.000 2.762 692 K HA 0.469 4.789 4.320 -0.000 0.000 0.272 692 K C -1.884 174.732 176.600 0.026 0.000 1.093 692 K CA -0.420 55.875 56.287 0.012 0.000 1.048 692 K CB 1.291 33.796 32.500 0.009 0.000 1.304 692 K HN -0.025 nan 8.250 nan 0.000 0.511 693 A N 4.232 127.072 122.820 0.033 0.000 2.709 693 A HA 0.315 4.635 4.320 -0.000 0.000 0.332 693 A C -0.135 177.473 177.584 0.040 0.000 1.241 693 A CA -0.539 51.528 52.037 0.050 0.000 0.782 693 A CB 0.389 19.436 19.000 0.080 0.000 1.109 693 A HN 0.820 nan 8.150 nan 0.000 0.472 694 E N 1.008 121.224 120.200 0.027 0.000 2.476 694 E HA 0.083 4.433 4.350 -0.000 0.000 0.196 694 E C -0.366 176.239 176.600 0.010 0.000 1.029 694 E CA 0.324 56.733 56.400 0.017 0.000 0.896 694 E CB 0.588 30.293 29.700 0.009 0.000 1.012 694 E HN 0.800 nan 8.360 nan 0.000 0.475 695 E N 0.578 120.786 120.200 0.013 0.000 2.367 695 E HA 0.316 4.666 4.350 -0.000 0.000 0.273 695 E C -0.792 175.806 176.600 -0.003 0.000 0.903 695 E CA -0.832 55.566 56.400 -0.004 0.000 0.764 695 E CB 2.820 32.512 29.700 -0.014 0.000 1.252 695 E HN -0.170 nan 8.360 nan 0.000 0.446 696 V N 3.053 122.950 119.914 -0.028 0.000 2.585 696 V HA 0.083 4.203 4.120 -0.000 0.000 0.296 696 V C -2.070 173.982 176.094 -0.070 0.000 1.035 696 V CA -0.831 61.439 62.300 -0.050 0.000 1.084 696 V CB 0.075 31.851 31.823 -0.077 0.000 0.953 696 V HN 0.536 nan 8.190 nan 0.000 0.483 697 P HA 0.181 nan 4.420 nan 0.000 0.279 697 P C -0.819 176.328 177.300 -0.255 0.000 1.252 697 P CA -0.567 62.468 63.100 -0.109 0.000 0.811 697 P CB 0.496 32.184 31.700 -0.020 0.000 1.035 698 D N 1.728 122.008 120.400 -0.201 0.000 2.352 698 D HA 0.101 4.741 4.640 -0.000 0.000 0.245 698 D C 0.288 176.318 176.300 -0.450 0.000 1.224 698 D CA 0.174 54.037 54.000 -0.228 0.000 0.879 698 D CB 0.192 40.922 40.800 -0.115 0.000 1.057 698 D HN 0.249 nan 8.370 nan 0.000 0.491 699 M N 3.449 122.618 119.600 -0.718 0.000 2.493 699 M HA 0.046 4.526 4.480 -0.000 0.000 0.244 699 M C -0.006 175.898 176.300 -0.659 0.000 1.182 699 M CA -0.577 53.870 55.300 -1.422 0.000 0.981 699 M CB 0.040 31.817 32.600 -1.370 0.000 1.551 699 M HN 0.330 nan 8.290 nan 0.000 0.476 700 Y N 1.239 121.334 120.300 -0.343 0.000 2.620 700 Y HA 0.281 4.831 4.550 0.000 0.000 0.330 700 Y C 1.224 177.136 175.900 0.020 0.000 1.186 700 Y CA 1.670 59.696 58.100 -0.123 0.000 1.467 700 Y CB 0.456 38.863 38.460 -0.088 0.000 1.262 700 Y HN 0.515 nan 8.280 nan 0.000 0.550 701 G N 3.286 111.820 108.800 -0.444 0.000 2.258 701 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.233 701 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.233 701 G C -0.190 174.791 174.900 0.134 0.000 1.006 701 G CA -0.142 44.894 45.100 -0.106 0.000 0.620 701 G HN 0.609 nan 8.290 nan 0.000 0.511 702 W N 2.796 124.034 121.300 -0.103 0.000 2.170 702 W HA 0.504 5.164 4.660 -0.000 0.000 0.342 702 W C 1.443 177.916 176.519 -0.076 0.000 1.294 702 W CA 0.404 57.713 57.345 -0.059 0.000 1.246 702 W CB -0.037 29.406 29.460 -0.027 0.000 1.156 702 W HN 0.464 nan 8.180 nan 0.000 0.572 703 T N -0.711 113.912 114.554 0.114 0.000 2.849 703 T HA 0.168 4.518 4.350 -0.000 0.000 0.284 703 T C 1.220 175.937 174.700 0.028 0.000 1.004 703 T CA -0.629 61.480 62.100 0.016 0.000 1.021 703 T CB 1.315 70.156 68.868 -0.046 0.000 1.013 703 T HN 0.537 nan 8.240 nan 0.000 0.527 704 K N 0.381 120.726 120.400 -0.091 0.000 2.032 704 K HA -0.219 4.101 4.320 -0.000 0.000 0.209 704 K C 2.214 178.744 176.600 -0.116 0.000 1.048 704 K CA 1.877 58.016 56.287 -0.247 0.000 0.927 704 K CB -0.206 31.973 32.500 -0.534 0.000 0.712 704 K HN 0.842 nan 8.250 nan 0.000 0.441 705 E N -0.497 119.634 120.200 -0.115 0.000 2.077 705 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 705 E C 1.609 178.158 176.600 -0.086 0.000 0.989 705 E CA 1.784 58.129 56.400 -0.092 0.000 0.800 705 E CB 0.046 29.686 29.700 -0.101 0.000 0.746 705 E HN 0.362 nan 8.360 nan 0.000 0.452 706 T N 0.586 115.086 114.554 -0.090 0.000 2.746 706 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 706 T C 1.852 176.522 174.700 -0.050 0.000 1.039 706 T CA 1.287 63.274 62.100 -0.188 0.000 1.142 706 T CB -0.312 68.367 68.868 -0.315 0.000 0.866 706 T HN 0.325 nan 8.240 nan 0.000 0.444 707 A N 1.817 124.787 122.820 0.250 0.000 1.883 707 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 707 A C 2.200 179.910 177.584 0.211 0.000 1.186 707 A CA 1.778 54.073 52.037 0.430 0.000 0.624 707 A CB -0.634 18.659 19.000 0.488 0.000 0.822 707 A HN 0.601 nan 8.150 nan 0.000 0.444 708 E N -0.845 119.467 120.200 0.187 0.000 2.118 708 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 708 E C 2.032 178.569 176.600 -0.105 0.000 0.992 708 E CA 1.599 58.053 56.400 0.090 0.000 0.804 708 E CB -0.410 29.351 29.700 0.101 0.000 0.741 708 E HN 0.605 nan 8.360 nan 0.000 0.458 709 T N 1.502 115.908 114.554 -0.248 0.000 2.788 709 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 709 T C 1.801 175.991 174.700 -0.849 0.000 1.044 709 T CA 0.779 62.515 62.100 -0.607 0.000 1.139 709 T CB -0.161 68.271 68.868 -0.726 0.000 0.867 709 T HN 0.035 nan 8.240 nan 0.000 0.454 710 L N 1.091 122.050 121.223 -0.441 0.000 2.156 710 L HA 0.210 4.550 4.340 -0.000 0.000 0.208 710 L C 2.494 179.362 176.870 -0.004 0.000 1.095 710 L CA 1.358 56.107 54.840 -0.153 0.000 0.770 710 L CB -0.876 41.299 42.059 0.193 0.000 0.914 710 L HN 0.196 nan 8.230 nan 0.000 0.439 711 A N -0.400 122.405 122.820 -0.026 0.000 1.858 711 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 711 A C 2.427 180.022 177.584 0.018 0.000 1.190 711 A CA 1.875 53.917 52.037 0.008 0.000 0.617 711 A CB -0.688 18.308 19.000 -0.007 0.000 0.827 711 A HN 0.435 nan 8.150 nan 0.000 0.443 712 K N -1.204 119.172 120.400 -0.041 0.000 2.020 712 K HA -0.232 4.087 4.320 -0.000 0.000 0.212 712 K C 1.906 178.607 176.600 0.169 0.000 1.050 712 K CA 2.056 58.353 56.287 0.018 0.000 0.929 712 K CB -0.353 32.116 32.500 -0.052 0.000 0.714 712 K HN 0.636 nan 8.250 nan 0.000 0.443 713 W N 1.050 122.369 121.300 0.032 0.000 2.353 713 W HA -0.107 4.553 4.660 -0.000 0.000 0.319 713 W C 2.096 178.631 176.519 0.026 0.000 1.207 713 W CA 0.594 57.955 57.345 0.026 0.000 1.291 713 W CB -1.093 28.384 29.460 0.027 0.000 1.159 713 W HN 0.060 nan 8.180 nan 0.000 0.478 714 L N 1.050 122.446 121.223 0.289 0.000 2.610 714 L HA -0.029 4.311 4.340 -0.000 0.000 0.232 714 L C 0.819 177.752 176.870 0.105 0.000 1.149 714 L CA 0.543 55.484 54.840 0.169 0.000 0.872 714 L CB -0.897 41.253 42.059 0.152 0.000 0.992 714 L HN 0.170 nan 8.230 nan 0.000 0.447 715 N N 1.205 119.966 118.700 0.101 0.000 2.747 715 N HA -0.164 4.576 4.740 -0.000 0.000 0.249 715 N C -0.289 175.243 175.510 0.036 0.000 1.107 715 N CA 0.767 53.854 53.050 0.062 0.000 0.707 715 N CB -0.593 37.927 38.487 0.054 0.000 1.054 715 N HN 0.363 nan 8.380 nan 0.000 0.555 716 I N -1.512 119.075 120.570 0.029 0.000 2.525 716 I HA 0.475 4.645 4.170 -0.000 0.000 0.301 716 I C 0.554 176.659 176.117 -0.020 0.000 0.992 716 I CA -0.642 60.659 61.300 0.001 0.000 1.162 716 I CB 1.560 39.556 38.000 -0.006 0.000 1.332 716 I HN 0.052 nan 8.210 nan 0.000 0.458 717 E N 5.582 125.760 120.200 -0.036 0.000 2.229 717 E HA 0.453 4.803 4.350 -0.000 0.000 0.283 717 E C -1.494 175.042 176.600 -0.107 0.000 1.030 717 E CA -0.575 55.792 56.400 -0.054 0.000 0.836 717 E CB 1.199 30.873 29.700 -0.044 0.000 1.068 717 E HN 0.638 nan 8.360 nan 0.000 0.401 718 L N 4.106 125.239 121.223 -0.151 0.000 2.317 718 L HA 0.410 4.750 4.340 -0.000 0.000 0.281 718 L C -0.127 176.533 176.870 -0.349 0.000 1.024 718 L CA -0.559 54.092 54.840 -0.315 0.000 0.810 718 L CB 1.717 43.503 42.059 -0.455 0.000 1.240 718 L HN 0.646 nan 8.230 nan 0.000 0.427 719 E N 2.935 122.893 120.200 -0.402 0.000 2.235 719 E HA 0.369 4.719 4.350 -0.000 0.000 0.252 719 E C -1.321 175.081 176.600 -0.331 0.000 0.886 719 E CA -0.614 55.630 56.400 -0.261 0.000 0.767 719 E CB 1.025 30.644 29.700 -0.135 0.000 1.205 719 E HN 0.255 nan 8.360 nan 0.000 0.421 720 F N 2.196 122.136 119.950 -0.017 0.000 2.378 720 F HA 0.319 4.846 4.527 -0.000 0.000 0.319 720 F C 0.583 176.373 175.800 -0.017 0.000 1.155 720 F CA 0.026 58.015 58.000 -0.019 0.000 1.157 720 F CB 1.127 40.116 39.000 -0.018 0.000 1.252 720 F HN 0.430 nan 8.300 nan 0.000 0.550 721 Q N 1.085 121.004 119.800 0.197 0.000 2.378 721 Q HA 0.504 4.844 4.340 -0.000 0.000 0.262 721 Q C -0.714 175.333 176.000 0.078 0.000 0.978 721 Q CA -0.242 55.619 55.803 0.096 0.000 0.918 721 Q CB 2.066 30.832 28.738 0.047 0.000 1.415 721 Q HN 1.101 nan 8.270 nan 0.000 0.409 722 G N 1.587 110.417 108.800 0.051 0.000 2.707 722 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.686 722 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.686 722 G C -0.874 174.037 174.900 0.019 0.000 1.315 722 G CA -0.359 44.760 45.100 0.031 0.000 0.832 722 G HN 1.229 nan 8.290 nan 0.000 0.573 723 S N -0.284 115.418 115.700 0.003 0.000 2.475 723 S HA 1.018 5.488 4.470 -0.000 0.000 0.298 723 S C 0.433 175.021 174.600 -0.021 0.000 1.119 723 S CA 0.575 58.767 58.200 -0.014 0.000 1.085 723 S CB 1.964 65.157 63.200 -0.013 0.000 1.028 723 S HN 2.727 nan 8.310 nan 0.000 0.489 724 G N 0.687 109.463 108.800 -0.040 0.000 2.340 724 G HA2 0.354 4.314 3.960 -0.000 0.000 0.300 724 G HA3 0.354 4.314 3.960 -0.000 0.000 0.300 724 G C 0.032 174.890 174.900 -0.069 0.000 1.488 724 G CA -0.188 44.885 45.100 -0.045 0.000 0.878 724 G HN 1.247 nan 8.290 nan 0.000 0.618 725 S N -1.712 113.949 115.700 -0.065 0.000 2.528 725 S HA 0.383 4.853 4.470 -0.000 0.000 0.219 725 S C 1.014 175.568 174.600 -0.076 0.000 0.985 725 S CA 1.344 59.499 58.200 -0.076 0.000 0.914 725 S CB -0.025 63.140 63.200 -0.058 0.000 0.776 725 S HN 1.839 nan 8.310 nan 0.000 0.526 726 T N -1.049 113.461 114.554 -0.075 0.000 2.900 726 T HA 0.644 4.994 4.350 -0.000 0.000 0.303 726 T C -0.540 174.101 174.700 -0.098 0.000 1.142 726 T CA -0.825 61.229 62.100 -0.077 0.000 1.007 726 T CB 1.451 70.256 68.868 -0.105 0.000 1.156 726 T HN -0.050 nan 8.240 nan 0.000 0.490 727 V N 3.017 122.888 119.914 -0.071 0.000 2.673 727 V HA 0.157 4.277 4.120 -0.000 0.000 0.303 727 V C 0.814 176.732 176.094 -0.294 0.000 1.046 727 V CA 0.279 62.528 62.300 -0.085 0.000 1.126 727 V CB 0.724 32.522 31.823 -0.042 0.000 0.934 727 V HN 0.974 nan 8.190 nan 0.000 0.487 728 Q N 3.091 122.788 119.800 -0.173 0.000 2.113 728 Q HA 0.347 4.687 4.340 -0.000 0.000 0.225 728 Q C 0.084 176.156 176.000 0.120 0.000 0.786 728 Q CA -0.009 55.713 55.803 -0.135 0.000 0.989 728 Q CB 1.591 30.313 28.738 -0.027 0.000 1.174 728 Q HN 0.747 nan 8.270 nan 0.000 0.470 729 K N 1.113 121.540 120.400 0.045 0.000 2.598 729 K HA 0.210 4.530 4.320 -0.000 0.000 0.271 729 K C -1.857 174.734 176.600 -0.014 0.000 0.947 729 K CA -0.233 56.081 56.287 0.044 0.000 0.854 729 K CB 1.821 34.344 32.500 0.038 0.000 1.401 729 K HN -0.018 nan 8.250 nan 0.000 0.415 730 Q N 1.555 121.333 119.800 -0.036 0.000 2.315 730 Q HA 0.245 4.585 4.340 -0.000 0.000 0.273 730 Q C -0.680 175.280 176.000 -0.066 0.000 1.053 730 Q CA -0.711 55.047 55.803 -0.075 0.000 0.817 730 Q CB 1.922 30.589 28.738 -0.119 0.000 1.326 730 Q HN 0.643 nan 8.270 nan 0.000 0.423 731 D N 1.003 121.362 120.400 -0.069 0.000 2.224 731 D HA -0.041 4.599 4.640 -0.000 0.000 0.205 731 D C 0.351 176.614 176.300 -0.061 0.000 0.965 731 D CA 0.477 54.443 54.000 -0.057 0.000 0.852 731 D CB 0.223 40.990 40.800 -0.054 0.000 0.947 731 D HN 0.243 nan 8.370 nan 0.000 0.494 732 V N 2.040 121.909 119.914 -0.076 0.000 2.333 732 V HA 0.267 4.387 4.120 -0.000 0.000 0.274 732 V C 0.399 176.440 176.094 -0.088 0.000 1.028 732 V CA -1.070 61.185 62.300 -0.074 0.000 0.851 732 V CB 0.620 32.398 31.823 -0.076 0.000 1.000 732 V HN 0.219 nan 8.190 nan 0.000 0.456 733 R N 4.508 124.958 120.500 -0.084 0.000 2.641 733 R HA 0.638 4.978 4.340 -0.000 0.000 0.269 733 R C 0.335 176.568 176.300 -0.112 0.000 1.074 733 R CA -0.052 55.988 56.100 -0.101 0.000 1.133 733 R CB 0.546 30.785 30.300 -0.102 0.000 1.029 733 R HN 0.671 nan 8.270 nan 0.000 0.488 734 A N 2.432 125.173 122.820 -0.130 0.000 2.555 734 A HA 0.041 4.361 4.320 -0.000 0.000 0.233 734 A C 0.141 177.655 177.584 -0.117 0.000 1.060 734 A CA 0.307 52.266 52.037 -0.129 0.000 0.759 734 A CB -0.231 18.683 19.000 -0.142 0.000 0.995 734 A HN 1.051 nan 8.150 nan 0.000 0.506 735 N N -1.325 117.320 118.700 -0.092 0.000 2.984 735 N HA -0.132 4.608 4.740 -0.000 0.000 0.227 735 N C 0.070 175.541 175.510 -0.064 0.000 0.903 735 N CA 1.607 54.611 53.050 -0.077 0.000 0.995 735 N CB -2.083 36.345 38.487 -0.098 0.000 1.065 735 N HN 0.735 nan 8.380 nan 0.000 0.585 736 T N 1.296 115.811 114.554 -0.066 0.000 2.919 736 T HA 0.451 4.801 4.350 -0.000 0.000 0.302 736 T C 0.882 175.560 174.700 -0.038 0.000 1.031 736 T CA 0.328 62.397 62.100 -0.053 0.000 1.127 736 T CB 0.991 69.825 68.868 -0.056 0.000 0.952 736 T HN 0.391 nan 8.240 nan 0.000 0.540 737 A N 3.380 126.183 122.820 -0.029 0.000 2.545 737 A HA 0.170 4.490 4.320 -0.000 0.000 0.253 737 A C 1.423 178.997 177.584 -0.016 0.000 1.074 737 A CA -0.180 51.846 52.037 -0.019 0.000 0.760 737 A CB -0.445 18.546 19.000 -0.015 0.000 1.005 737 A HN 1.044 nan 8.150 nan 0.000 0.506 738 I N 2.136 122.700 120.570 -0.009 0.000 2.617 738 I HA -0.131 4.039 4.170 -0.000 0.000 0.256 738 I C 2.283 178.400 176.117 -0.000 0.000 1.167 738 I CA 1.044 62.341 61.300 -0.004 0.000 1.469 738 I CB -0.177 37.828 38.000 0.010 0.000 1.098 738 I HN 1.008 nan 8.210 nan 0.000 0.436 739 K N 1.085 121.486 120.400 0.001 0.000 2.007 739 K HA -0.357 3.963 4.320 -0.000 0.000 0.231 739 K C 1.277 177.877 176.600 0.000 0.000 1.044 739 K CA 2.963 59.252 56.287 0.002 0.000 0.996 739 K CB -0.366 32.134 32.500 -0.000 0.000 0.738 739 K HN 0.326 nan 8.250 nan 0.000 0.447 740 D N -0.208 120.189 120.400 -0.005 0.000 2.323 740 D HA 0.060 4.700 4.640 -0.000 0.000 0.209 740 D C 0.017 176.311 176.300 -0.010 0.000 0.973 740 D CA 0.214 54.210 54.000 -0.006 0.000 0.874 740 D CB 0.020 40.815 40.800 -0.008 0.000 0.930 740 D HN 0.152 nan 8.370 nan 0.000 0.521 741 I N 1.143 121.706 120.570 -0.013 0.000 2.821 741 I HA -0.110 4.060 4.170 -0.000 0.000 0.294 741 I C 1.521 177.629 176.117 -0.016 0.000 1.210 741 I CA 0.883 62.171 61.300 -0.019 0.000 1.430 741 I CB 0.579 38.564 38.000 -0.025 0.000 1.356 741 I HN -0.151 nan 8.210 nan 0.000 0.563 742 K N 5.014 125.402 120.400 -0.021 0.000 2.464 742 K HA 0.235 4.555 4.320 -0.000 0.000 0.206 742 K C 0.305 176.887 176.600 -0.030 0.000 1.186 742 K CA -0.005 56.271 56.287 -0.018 0.000 0.990 742 K CB 0.581 33.072 32.500 -0.014 0.000 1.003 742 K HN 0.568 nan 8.250 nan 0.000 0.562 743 K N 0.964 121.339 120.400 -0.042 0.000 2.502 743 K HA 0.441 4.761 4.320 -0.000 0.000 0.257 743 K C -1.680 174.874 176.600 -0.077 0.000 0.938 743 K CA -0.712 55.539 56.287 -0.060 0.000 0.819 743 K CB 1.583 34.050 32.500 -0.054 0.000 1.333 743 K HN -0.020 nan 8.250 nan 0.000 0.434 744 I N 1.804 122.309 120.570 -0.109 0.000 2.692 744 I HA 0.213 4.383 4.170 -0.000 0.000 0.293 744 I C -0.952 175.062 176.117 -0.172 0.000 1.200 744 I CA -0.849 60.374 61.300 -0.128 0.000 1.036 744 I CB 2.670 40.588 38.000 -0.136 0.000 1.258 744 I HN 0.528 nan 8.210 nan 0.000 0.421 745 T N 6.474 120.941 114.554 -0.145 0.000 2.770 745 T HA 0.593 4.943 4.350 -0.000 0.000 0.283 745 T C -0.340 174.276 174.700 -0.141 0.000 0.988 745 T CA -0.428 61.581 62.100 -0.152 0.000 0.957 745 T CB 0.699 69.512 68.868 -0.092 0.000 0.930 745 T HN 0.240 nan 8.240 nan 0.000 0.443 746 L N 3.223 124.337 121.223 -0.182 0.000 2.307 746 L HA 0.502 4.842 4.340 -0.000 0.000 0.284 746 L C 0.363 177.257 176.870 0.040 0.000 1.023 746 L CA -0.874 53.919 54.840 -0.078 0.000 0.810 746 L CB 1.506 43.521 42.059 -0.074 0.000 1.231 746 L HN 0.527 nan 8.230 nan 0.000 0.423 747 T N 4.169 118.745 114.554 0.037 0.000 2.767 747 T HA 0.536 4.886 4.350 -0.000 0.000 0.288 747 T C 0.074 174.807 174.700 0.055 0.000 0.963 747 T CA -0.434 61.697 62.100 0.053 0.000 1.019 747 T CB 1.034 69.919 68.868 0.028 0.000 0.923 747 T HN 0.277 nan 8.240 nan 0.000 0.468 748 L N 2.362 123.623 121.223 0.063 0.000 2.379 748 L HA 0.812 5.152 4.340 -0.000 0.000 0.269 748 L C 0.855 177.723 176.870 -0.004 0.000 1.084 748 L CA -0.577 54.275 54.840 0.020 0.000 0.802 748 L CB 1.231 43.293 42.059 0.006 0.000 1.175 748 L HN 0.783 nan 8.230 nan 0.000 0.448 749 G N -0.246 108.536 108.800 -0.030 0.000 2.692 749 G HA2 0.532 4.492 3.960 -0.000 0.000 0.291 749 G HA3 0.532 4.492 3.960 -0.000 0.000 0.291 749 G C -1.674 173.208 174.900 -0.029 0.000 1.423 749 G CA -0.317 44.771 45.100 -0.020 0.000 0.843 749 G HN 0.621 nan 8.290 nan 0.000 0.486 750 D N 0.000 120.392 120.400 -0.013 0.000 6.856 750 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 750 D CA 0.000 53.992 54.000 -0.013 0.000 0.868 750 D CB 0.000 40.793 40.800 -0.012 0.000 0.688 750 D HN 0.000 nan 8.370 nan 0.000 0.683