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 1vsy_1_M DATA FIRST_RESID 601 DATA SEQUENCE QFNPYGDNGX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX 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SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX 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DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE GTILGIAGED FAVLAGDTRN ITDYSINSRY EPKVFDCGDN IVMSANGFAA DATA SEQUENCE DGDALVKRFK NSVKWYHFDH NDKKLSINSA ARNIQHLLYG KRFFPYYVHT DATA SEQUENCE IIAGLDEDGK GAVYSFDPVG SYEREQCRAG GAAASLIMPF LDNQVNFKNQ DATA SEQUENCE YEPGTNGKVK KPLKYLSVEE VIKLVRDSFT SATERHIQVG DGLEILIVTK DATA SEQUENCE DGVRKEFYEL KRD 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 601 Q HA 0.000 nan 4.340 nan 0.000 0.214 601 Q C 0.000 176.072 176.000 0.120 0.000 1.003 601 Q CA 0.000 55.839 55.803 0.060 0.000 1.022 601 Q CB 0.000 28.759 28.738 0.034 0.000 1.108 602 F N 2.481 122.410 119.950 -0.035 0.000 2.415 602 F HA 0.500 5.026 4.527 -0.000 0.000 0.348 602 F C -0.673 175.094 175.800 -0.054 0.000 1.119 602 F CA -0.488 57.489 58.000 -0.038 0.000 1.069 602 F CB 0.814 39.791 39.000 -0.037 0.000 1.124 602 F HN 0.459 nan 8.300 nan 0.000 0.472 603 N N 7.552 125.848 118.700 -0.673 0.000 2.511 603 N HA 0.352 5.092 4.740 -0.000 0.000 0.249 603 N C -2.069 172.848 175.510 -0.989 0.000 0.971 603 N CA -1.808 50.852 53.050 -0.650 0.000 0.938 603 N CB 1.536 39.822 38.487 -0.335 0.000 1.131 603 N HN 0.349 nan 8.380 nan 0.000 0.505 604 P HA 0.005 nan 4.420 nan 0.000 0.222 604 P C -0.651 176.283 177.300 -0.611 0.000 1.153 604 P CA 0.969 63.615 63.100 -0.757 0.000 0.798 604 P CB 0.146 31.568 31.700 -0.464 0.000 0.796 605 Y N -0.280 119.724 120.300 -0.493 0.000 2.392 605 Y HA 0.631 5.181 4.550 -0.000 0.000 0.323 605 Y C 1.425 176.700 175.900 -1.042 0.000 1.291 605 Y CA -0.132 57.458 58.100 -0.850 0.000 1.345 605 Y CB 0.612 38.667 38.460 -0.676 0.000 1.320 605 Y HN -0.147 nan 8.280 nan 0.000 0.518 606 G N -0.322 107.729 108.800 -1.249 0.000 2.687 606 G HA2 0.433 4.393 3.960 -0.000 0.000 0.291 606 G HA3 0.433 4.393 3.960 -0.000 0.000 0.291 606 G C -2.181 172.617 174.900 -0.169 0.000 1.420 606 G CA -0.684 44.043 45.100 -0.622 0.000 0.796 606 G HN 0.379 nan 8.290 nan 0.000 0.485 607 D N -1.378 119.041 120.400 0.030 0.000 2.629 607 D HA 0.476 5.116 4.640 -0.000 0.000 0.250 607 D C 0.070 176.464 176.300 0.157 0.000 1.126 607 D CA -0.573 53.497 54.000 0.116 0.000 0.852 607 D CB 1.822 42.649 40.800 0.045 0.000 1.335 607 D HN 0.235 nan 8.370 nan 0.000 0.518 608 N N 1.125 119.939 118.700 0.189 0.000 2.166 608 N HA 0.384 5.124 4.740 -0.000 0.000 0.213 608 N C 0.464 176.030 175.510 0.094 0.000 1.222 608 N CA 0.109 53.245 53.050 0.143 0.000 0.900 608 N CB 1.290 39.874 38.487 0.162 0.000 1.055 608 N HN 0.580 nan 8.380 nan 0.000 0.515 6002 T N 0.562 115.150 114.554 0.056 0.000 3.395 6002 T HA 0.531 4.881 4.350 -0.000 0.000 0.330 6002 T C -0.325 174.488 174.700 0.189 0.000 1.076 6002 T CA -0.323 61.807 62.100 0.051 0.000 1.070 6002 T CB 0.863 69.705 68.868 -0.044 0.000 1.119 6002 T HN 1.044 nan 8.240 nan 0.000 0.462 6003 I N 1.191 121.842 120.570 0.134 0.000 2.797 6003 I HA 0.972 5.142 4.170 -0.000 0.000 0.307 6003 I C -1.480 174.743 176.117 0.177 0.000 1.033 6003 I CA -1.449 59.966 61.300 0.191 0.000 1.071 6003 I CB 2.030 40.105 38.000 0.125 0.000 1.255 6003 I HN 0.528 nan 8.210 nan 0.000 0.445 6004 L N 3.506 124.864 121.223 0.226 0.000 2.493 6004 L HA 0.886 5.226 4.340 -0.000 0.000 0.265 6004 L C -0.786 176.169 176.870 0.142 0.000 0.954 6004 L CA 0.135 55.079 54.840 0.173 0.000 0.844 6004 L CB 2.022 44.222 42.059 0.236 0.000 1.302 6004 L HN 0.892 nan 8.230 nan 0.000 0.405 6005 G N 5.333 114.189 108.800 0.092 0.000 2.590 6005 G HA2 0.709 4.669 3.960 -0.000 0.000 0.310 6005 G HA3 0.709 4.669 3.960 -0.000 0.000 0.310 6005 G C -1.429 173.487 174.900 0.027 0.000 1.347 6005 G CA -0.409 44.729 45.100 0.063 0.000 0.963 6005 G HN 0.591 nan 8.290 nan 0.000 0.494 6006 I N 1.567 122.146 120.570 0.014 0.000 2.466 6006 I HA 0.495 4.665 4.170 -0.000 0.000 0.289 6006 I C 0.281 176.336 176.117 -0.103 0.000 1.026 6006 I CA -0.957 60.329 61.300 -0.024 0.000 1.078 6006 I CB 2.352 40.361 38.000 0.015 0.000 1.249 6006 I HN 0.566 nan 8.210 nan 0.000 0.429 6007 A N 5.030 127.764 122.820 -0.143 0.000 2.269 6007 A HA 0.737 5.057 4.320 -0.000 0.000 0.302 6007 A C 0.377 177.771 177.584 -0.316 0.000 1.266 6007 A CA -0.224 51.674 52.037 -0.231 0.000 0.894 6007 A CB 0.373 19.246 19.000 -0.211 0.000 1.147 6007 A HN 0.838 nan 8.150 nan 0.000 0.537 6008 G N 0.412 108.819 108.800 -0.654 0.000 2.510 6008 G HA2 0.380 4.340 3.960 -0.000 0.000 0.280 6008 G HA3 0.380 4.340 3.960 -0.000 0.000 0.280 6008 G C 0.627 175.293 174.900 -0.391 0.000 1.386 6008 G CA 0.292 44.880 45.100 -0.853 0.000 1.047 6008 G HN 0.774 nan 8.290 nan 0.000 0.527 6009 E N -1.113 119.041 120.200 -0.078 0.000 2.075 6009 E HA -0.058 4.292 4.350 -0.000 0.000 0.190 6009 E C 1.080 177.724 176.600 0.074 0.000 0.969 6009 E CA 1.368 57.764 56.400 -0.007 0.000 0.815 6009 E CB 0.143 29.920 29.700 0.128 0.000 0.776 6009 E HN 0.541 nan 8.360 nan 0.000 0.457 6010 D N -0.857 119.706 120.400 0.271 0.000 2.501 6010 D HA 0.143 4.783 4.640 -0.000 0.000 0.224 6010 D C -0.111 176.393 176.300 0.341 0.000 1.202 6010 D CA -0.412 53.733 54.000 0.243 0.000 0.829 6010 D CB 0.039 40.961 40.800 0.202 0.000 1.023 6010 D HN 0.158 nan 8.370 nan 0.000 0.499 6011 F N -1.506 118.476 119.950 0.053 0.000 2.877 6011 F HA 0.856 5.383 4.527 -0.000 0.000 0.319 6011 F C -2.092 173.741 175.800 0.055 0.000 1.174 6011 F CA -1.753 56.280 58.000 0.054 0.000 0.903 6011 F CB 0.941 39.977 39.000 0.059 0.000 1.357 6011 F HN -0.016 nan 8.300 nan 0.000 0.472 6012 A N 0.867 123.716 122.820 0.048 0.000 2.566 6012 A HA 0.750 5.070 4.320 -0.000 0.000 0.297 6012 A C -1.576 176.078 177.584 0.117 0.000 1.059 6012 A CA -0.253 51.737 52.037 -0.078 0.000 0.691 6012 A CB 1.230 20.192 19.000 -0.063 0.000 1.282 6012 A HN 2.117 nan 8.150 nan 0.000 0.401 6013 V N -0.104 119.870 119.914 0.099 0.000 2.815 6013 V HA 0.898 5.018 4.120 -0.000 0.000 0.314 6013 V C -0.542 175.604 176.094 0.088 0.000 1.064 6013 V CA -0.873 61.509 62.300 0.136 0.000 0.952 6013 V CB 1.865 33.800 31.823 0.187 0.000 1.020 6013 V HN 1.090 nan 8.190 nan 0.000 0.439 6014 L N 3.437 124.709 121.223 0.082 0.000 2.504 6014 L HA 0.815 5.155 4.340 -0.000 0.000 0.265 6014 L C -0.313 176.588 176.870 0.051 0.000 0.975 6014 L CA -0.247 54.634 54.840 0.068 0.000 0.864 6014 L CB 1.127 43.219 42.059 0.055 0.000 1.212 6014 L HN 1.125 nan 8.230 nan 0.000 0.416 6015 A N 3.084 125.946 122.820 0.069 0.000 2.340 6015 A HA 0.967 5.287 4.320 -0.000 0.000 0.331 6015 A C -0.211 177.379 177.584 0.011 0.000 1.140 6015 A CA -0.124 51.917 52.037 0.006 0.000 0.801 6015 A CB 1.828 20.820 19.000 -0.014 0.000 1.234 6015 A HN 0.794 nan 8.150 nan 0.000 0.469 6016 G N 0.787 109.522 108.800 -0.109 0.000 2.690 6016 G HA2 0.562 4.522 3.960 -0.000 0.000 0.293 6016 G HA3 0.562 4.522 3.960 -0.000 0.000 0.293 6016 G C -1.318 173.487 174.900 -0.158 0.000 1.399 6016 G CA -0.502 44.565 45.100 -0.055 0.000 0.890 6016 G HN 0.859 nan 8.290 nan 0.000 0.485 6017 D N -0.930 119.454 120.400 -0.026 0.000 2.377 6017 D HA 0.338 4.978 4.640 -0.000 0.000 0.245 6017 D C 0.756 177.033 176.300 -0.037 0.000 1.196 6017 D CA -0.276 53.715 54.000 -0.014 0.000 0.962 6017 D CB 1.077 41.953 40.800 0.126 0.000 1.127 6017 D HN 0.188 nan 8.370 nan 0.000 0.471 6018 T N -1.398 113.154 114.554 -0.005 0.000 3.069 6018 T HA 0.066 4.416 4.350 -0.000 0.000 0.252 6018 T C 0.969 175.647 174.700 -0.038 0.000 1.053 6018 T CA -0.317 61.737 62.100 -0.077 0.000 0.964 6018 T CB 0.014 68.888 68.868 0.011 0.000 1.005 6018 T HN 0.318 nan 8.240 nan 0.000 0.532 6019 R N 2.824 123.335 120.500 0.019 0.000 2.308 6019 R HA 0.260 4.600 4.340 -0.000 0.000 0.305 6019 R C -0.726 175.587 176.300 0.022 0.000 1.053 6019 R CA -0.291 55.832 56.100 0.038 0.000 0.957 6019 R CB 0.327 30.666 30.300 0.065 0.000 1.022 6019 R HN 0.023 nan 8.270 nan 0.000 0.461 6020 N N 5.261 123.977 118.700 0.026 0.000 2.448 6020 N HA 0.263 5.003 4.740 -0.000 0.000 0.279 6020 N C -1.272 174.267 175.510 0.048 0.000 1.025 6020 N CA -0.519 52.549 53.050 0.031 0.000 0.898 6020 N CB 1.092 39.588 38.487 0.015 0.000 1.303 6020 N HN 0.567 nan 8.380 nan 0.000 0.495 6021 I N -0.472 120.132 120.570 0.056 0.000 3.108 6021 I HA 0.637 4.807 4.170 -0.000 0.000 0.312 6021 I C -0.376 175.780 176.117 0.064 0.000 1.095 6021 I CA -0.538 60.796 61.300 0.058 0.000 1.000 6021 I CB 2.112 40.140 38.000 0.047 0.000 1.229 6021 I HN 0.148 nan 8.210 nan 0.000 0.454 6022 T N 2.936 117.525 114.554 0.059 0.000 2.930 6022 T HA 0.390 4.740 4.350 -0.000 0.000 0.313 6022 T C -0.477 174.245 174.700 0.036 0.000 1.019 6022 T CA 0.002 62.137 62.100 0.058 0.000 1.004 6022 T CB 0.342 69.254 68.868 0.074 0.000 0.987 6022 T HN 0.879 nan 8.240 nan 0.000 0.456 6023 D N 1.771 122.163 120.400 -0.012 0.000 4.566 6023 D HA -0.227 4.413 4.640 -0.000 0.000 0.168 6023 D C 0.406 176.579 176.300 -0.212 0.000 0.658 6023 D CA 1.886 55.838 54.000 -0.080 0.000 1.285 6023 D CB -0.770 40.057 40.800 0.046 0.000 0.770 6023 D HN 0.647 nan 8.370 nan 0.000 0.517 6024 Y N 0.182 120.508 120.300 0.042 0.000 2.471 6024 Y HA 0.416 4.966 4.550 -0.000 0.000 0.249 6024 Y C 0.972 176.896 175.900 0.041 0.000 1.116 6024 Y CA 0.362 58.485 58.100 0.039 0.000 1.240 6024 Y CB 1.059 39.536 38.460 0.029 0.000 1.251 6024 Y HN 0.029 nan 8.280 nan 0.000 0.527 6025 S N -0.003 115.794 115.700 0.161 0.000 2.687 6025 S HA 0.596 5.066 4.470 -0.000 0.000 0.283 6025 S C -0.435 174.219 174.600 0.090 0.000 1.170 6025 S CA -0.480 57.790 58.200 0.117 0.000 1.008 6025 S CB 0.445 63.703 63.200 0.097 0.000 1.026 6025 S HN 0.086 nan 8.310 nan 0.000 0.541 6026 I N 3.320 123.938 120.570 0.080 0.000 2.392 6026 I HA 0.312 4.481 4.170 -0.000 0.000 0.295 6026 I C 0.447 176.603 176.117 0.064 0.000 0.985 6026 I CA -0.635 60.708 61.300 0.071 0.000 1.221 6026 I CB 1.649 39.692 38.000 0.071 0.000 1.366 6026 I HN 0.654 nan 8.210 nan 0.000 0.467 6027 N N 2.479 121.216 118.700 0.060 0.000 2.322 6027 N HA 0.042 4.782 4.740 -0.000 0.000 0.186 6027 N C 0.296 175.837 175.510 0.052 0.000 1.037 6027 N CA 0.595 53.679 53.050 0.056 0.000 0.869 6027 N CB 0.317 38.837 38.487 0.056 0.000 1.036 6027 N HN 0.522 nan 8.380 nan 0.000 0.439 6028 S N -0.951 114.778 115.700 0.049 0.000 2.595 6028 S HA 0.465 4.935 4.470 -0.000 0.000 0.281 6028 S C 0.236 174.873 174.600 0.062 0.000 1.117 6028 S CA -0.659 57.573 58.200 0.053 0.000 0.873 6028 S CB 1.777 65.002 63.200 0.042 0.000 1.108 6028 S HN 0.054 nan 8.310 nan 0.000 0.477 6029 R N 0.596 121.149 120.500 0.088 0.000 2.223 6029 R HA 0.157 4.497 4.340 -0.000 0.000 0.198 6029 R C -0.610 175.788 176.300 0.163 0.000 0.984 6029 R CA 0.472 56.641 56.100 0.115 0.000 1.018 6029 R CB 0.249 30.622 30.300 0.121 0.000 0.945 6029 R HN 0.612 nan 8.270 nan 0.000 0.479 6030 Y N 1.219 121.517 120.300 -0.003 0.000 2.426 6030 Y HA 0.275 4.825 4.550 -0.000 0.000 0.325 6030 Y C -1.350 174.520 175.900 -0.050 0.000 0.989 6030 Y CA -1.164 56.905 58.100 -0.052 0.000 1.284 6030 Y CB 1.212 39.616 38.460 -0.093 0.000 1.104 6030 Y HN -0.141 nan 8.280 nan 0.000 0.481 6031 E N 7.515 127.462 120.200 -0.422 0.000 2.466 6031 E HA 0.430 4.780 4.350 -0.000 0.000 0.308 6031 E C -3.145 173.195 176.600 -0.434 0.000 0.933 6031 E CA -1.943 54.259 56.400 -0.330 0.000 0.800 6031 E CB 1.422 31.051 29.700 -0.118 0.000 1.434 6031 E HN 0.265 nan 8.360 nan 0.000 0.389 6032 P HA 0.328 nan 4.420 nan 0.000 0.274 6032 P C -0.301 176.660 177.300 -0.565 0.000 1.237 6032 P CA -0.397 62.330 63.100 -0.622 0.000 0.793 6032 P CB 1.242 32.548 31.700 -0.656 0.000 0.977 6033 K N 0.247 120.304 120.400 -0.572 0.000 2.474 6033 K HA 0.167 4.487 4.320 -0.000 0.000 0.202 6033 K C -0.432 175.865 176.600 -0.506 0.000 1.248 6033 K CA 0.336 56.391 56.287 -0.387 0.000 0.946 6033 K CB 0.579 32.963 32.500 -0.194 0.000 1.102 6033 K HN 0.251 nan 8.250 nan 0.000 0.541 6034 V N 1.780 121.332 119.914 -0.604 0.000 2.370 6034 V HA 0.540 4.660 4.120 -0.000 0.000 0.283 6034 V C -0.781 174.983 176.094 -0.551 0.000 1.023 6034 V CA -0.815 61.240 62.300 -0.410 0.000 0.857 6034 V CB 0.734 32.429 31.823 -0.213 0.000 0.985 6034 V HN -0.089 nan 8.190 nan 0.000 0.443 6035 F N 1.619 121.553 119.950 -0.026 0.000 2.532 6035 F HA 0.499 5.026 4.527 -0.000 0.000 0.321 6035 F C 0.262 176.065 175.800 0.006 0.000 1.089 6035 F CA -0.870 57.120 58.000 -0.017 0.000 0.926 6035 F CB 1.664 40.650 39.000 -0.024 0.000 1.168 6035 F HN 0.485 nan 8.300 nan 0.000 0.459 6036 D N 1.454 121.984 120.400 0.217 0.000 2.317 6036 D HA 0.175 4.815 4.640 -0.000 0.000 0.252 6036 D C 0.011 176.392 176.300 0.135 0.000 1.174 6036 D CA 0.052 54.137 54.000 0.141 0.000 0.866 6036 D CB 1.214 42.075 40.800 0.102 0.000 1.127 6036 D HN 0.595 nan 8.370 nan 0.000 0.467 6037 C N 3.073 122.450 119.300 0.128 0.000 3.038 6037 C HA 0.566 5.026 4.460 -0.000 0.000 0.279 6037 C C 1.101 176.129 174.990 0.062 0.000 1.276 6037 C CA 0.262 59.347 59.018 0.112 0.000 1.697 6037 C CB -1.021 26.857 27.740 0.230 0.000 2.032 6037 C HN 0.884 nan 8.230 nan 0.000 0.636 6038 G N 1.121 109.965 108.800 0.073 0.000 2.728 6038 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.294 6038 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.294 6038 G C -0.483 174.468 174.900 0.085 0.000 1.342 6038 G CA -0.135 45.008 45.100 0.072 0.000 0.866 6038 G HN 0.225 nan 8.290 nan 0.000 0.534 6039 D N 0.034 120.495 120.400 0.103 0.000 2.739 6039 D HA -0.205 4.435 4.640 -0.000 0.000 0.230 6039 D C 0.888 177.241 176.300 0.088 0.000 1.167 6039 D CA 1.805 55.867 54.000 0.104 0.000 0.640 6039 D CB -1.396 39.473 40.800 0.115 0.000 1.045 6039 D HN 1.101 nan 8.370 nan 0.000 0.421 6040 N N -0.959 117.792 118.700 0.084 0.000 2.705 6040 N HA -0.228 4.512 4.740 -0.000 0.000 0.255 6040 N C -0.695 174.869 175.510 0.090 0.000 1.008 6040 N CA 0.628 53.728 53.050 0.083 0.000 0.742 6040 N CB -0.693 37.840 38.487 0.077 0.000 0.906 6040 N HN 0.472 nan 8.380 nan 0.000 0.541 6041 I N 0.853 121.484 120.570 0.102 0.000 2.468 6041 I HA 0.305 4.475 4.170 -0.000 0.000 0.285 6041 I C 0.230 176.415 176.117 0.113 0.000 1.039 6041 I CA -1.031 60.337 61.300 0.113 0.000 1.074 6041 I CB 1.797 39.889 38.000 0.152 0.000 1.228 6041 I HN -0.182 nan 8.210 nan 0.000 0.436 6042 V N 4.931 124.899 119.914 0.091 0.000 2.483 6042 V HA 0.798 4.918 4.120 -0.000 0.000 0.295 6042 V C -0.271 175.860 176.094 0.061 0.000 1.035 6042 V CA -0.562 61.790 62.300 0.085 0.000 0.896 6042 V CB 1.606 33.472 31.823 0.071 0.000 0.986 6042 V HN 0.903 nan 8.190 nan 0.000 0.447 6043 M N 3.068 122.707 119.600 0.064 0.000 2.631 6043 M HA 0.881 5.361 4.480 -0.000 0.000 0.288 6043 M C -0.963 175.372 176.300 0.059 0.000 1.260 6043 M CA -0.426 54.885 55.300 0.018 0.000 0.842 6043 M CB 2.461 34.992 32.600 -0.115 0.000 1.743 6043 M HN 0.664 nan 8.290 nan 0.000 0.461 6044 S N 0.981 116.700 115.700 0.031 0.000 2.649 6044 S HA 0.795 5.265 4.470 -0.000 0.000 0.274 6044 S C -1.549 173.068 174.600 0.028 0.000 1.176 6044 S CA -0.428 57.798 58.200 0.045 0.000 0.988 6044 S CB 1.596 64.811 63.200 0.025 0.000 1.071 6044 S HN 1.003 nan 8.310 nan 0.000 0.478 6045 A N 4.788 127.626 122.820 0.030 0.000 2.394 6045 A HA 0.563 4.883 4.320 -0.000 0.000 0.333 6045 A C -0.112 177.494 177.584 0.037 0.000 1.397 6045 A CA -0.675 51.359 52.037 -0.004 0.000 0.884 6045 A CB 0.120 19.080 19.000 -0.067 0.000 1.147 6045 A HN 0.748 nan 8.150 nan 0.000 0.505 6046 N N 2.045 120.781 118.700 0.061 0.000 2.370 6046 N HA 0.659 5.399 4.740 -0.000 0.000 0.303 6046 N C 0.535 176.101 175.510 0.094 0.000 1.103 6046 N CA 0.714 53.810 53.050 0.077 0.000 0.848 6046 N CB 1.940 40.474 38.487 0.078 0.000 1.235 6046 N HN 0.836 nan 8.380 nan 0.000 0.496 6047 G N 2.323 111.196 108.800 0.121 0.000 1.674 6047 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.192 6047 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.192 6047 G C -1.185 173.904 174.900 0.314 0.000 1.551 6047 G CA -0.485 44.725 45.100 0.184 0.000 1.320 6047 G HN 0.503 nan 8.290 nan 0.000 0.432 6048 F N 4.011 124.087 119.950 0.210 0.000 2.375 6048 F HA 0.755 5.282 4.527 -0.000 0.000 0.362 6048 F C 1.425 177.315 175.800 0.151 0.000 1.129 6048 F CA -0.359 57.765 58.000 0.207 0.000 1.154 6048 F CB 0.883 40.067 39.000 0.307 0.000 1.205 6048 F HN 0.787 nan 8.300 nan 0.000 0.513 6049 A N 5.908 128.688 122.820 -0.067 0.000 1.869 6049 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 6049 A C 2.407 179.771 177.584 -0.366 0.000 1.203 6049 A CA 2.416 54.353 52.037 -0.166 0.000 0.638 6049 A CB -1.392 17.573 19.000 -0.058 0.000 0.831 6049 A HN 1.004 nan 8.150 nan 0.000 0.450 6050 A N -0.673 121.731 122.820 -0.694 0.000 1.927 6050 A HA -0.277 4.043 4.320 -0.000 0.000 0.220 6050 A C 1.856 179.187 177.584 -0.421 0.000 1.185 6050 A CA 2.353 54.051 52.037 -0.565 0.000 0.639 6050 A CB -0.746 17.893 19.000 -0.602 0.000 0.820 6050 A HN 0.507 nan 8.150 nan 0.000 0.451 6051 D N -1.039 119.041 120.400 -0.534 0.000 2.149 6051 D HA -0.002 4.637 4.640 -0.000 0.000 0.201 6051 D C 2.114 178.400 176.300 -0.023 0.000 0.972 6051 D CA 1.355 55.350 54.000 -0.009 0.000 0.835 6051 D CB -0.501 40.503 40.800 0.340 0.000 0.966 6051 D HN 0.410 nan 8.370 nan 0.000 0.476 6052 G N 0.245 108.996 108.800 -0.082 0.000 2.396 6052 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.214 6052 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.214 6052 G C 1.391 176.223 174.900 -0.113 0.000 1.166 6052 G CA 0.410 45.462 45.100 -0.081 0.000 0.793 6052 G HN 0.101 nan 8.290 nan 0.000 0.533 6053 D N 1.139 121.474 120.400 -0.108 0.000 2.133 6053 D HA -0.090 4.550 4.640 -0.000 0.000 0.195 6053 D C 2.791 178.989 176.300 -0.170 0.000 0.997 6053 D CA 1.365 55.289 54.000 -0.127 0.000 0.840 6053 D CB -0.339 40.395 40.800 -0.110 0.000 0.947 6053 D HN 0.288 nan 8.370 nan 0.000 0.452 6054 A N 0.130 122.859 122.820 -0.152 0.000 1.969 6054 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 6054 A C 2.131 179.575 177.584 -0.234 0.000 1.169 6054 A CA 0.815 52.771 52.037 -0.136 0.000 0.635 6054 A CB -0.501 18.477 19.000 -0.036 0.000 0.810 6054 A HN 0.260 nan 8.150 nan 0.000 0.445 6055 L N -0.644 120.355 121.223 -0.373 0.000 2.109 6055 L HA -0.009 4.331 4.340 -0.000 0.000 0.207 6055 L C 2.329 179.023 176.870 -0.294 0.000 1.086 6055 L CA 1.437 55.957 54.840 -0.533 0.000 0.760 6055 L CB -0.402 41.244 42.059 -0.688 0.000 0.910 6055 L HN 0.117 nan 8.230 nan 0.000 0.437 6056 V N -0.010 119.766 119.914 -0.230 0.000 2.255 6056 V HA -0.340 3.780 4.120 -0.000 0.000 0.247 6056 V C 2.722 178.723 176.094 -0.155 0.000 1.051 6056 V CA 2.128 64.324 62.300 -0.174 0.000 1.018 6056 V CB -0.503 31.168 31.823 -0.253 0.000 0.641 6056 V HN 0.492 nan 8.190 nan 0.000 0.445 6057 K N -0.549 119.732 120.400 -0.199 0.000 2.059 6057 K HA -0.277 4.043 4.320 -0.000 0.000 0.212 6057 K C 2.384 178.917 176.600 -0.113 0.000 1.050 6057 K CA 2.161 58.351 56.287 -0.161 0.000 0.927 6057 K CB -0.213 32.202 32.500 -0.142 0.000 0.714 6057 K HN 0.262 nan 8.250 nan 0.000 0.447 6058 R N -0.698 119.736 120.500 -0.109 0.000 2.115 6058 R HA -0.114 4.226 4.340 -0.000 0.000 0.230 6058 R C 2.160 178.429 176.300 -0.052 0.000 1.111 6058 R CA 1.291 57.343 56.100 -0.080 0.000 0.976 6058 R CB -0.174 30.067 30.300 -0.097 0.000 0.870 6058 R HN 0.195 nan 8.270 nan 0.000 0.445 6059 F N 0.986 120.821 119.950 -0.192 0.000 2.149 6059 F HA 0.013 4.540 4.527 -0.000 0.000 0.294 6059 F C 1.784 177.487 175.800 -0.162 0.000 1.095 6059 F CA 1.210 59.099 58.000 -0.184 0.000 1.276 6059 F CB -0.011 38.858 39.000 -0.219 0.000 1.023 6059 F HN -0.207 nan 8.300 nan 0.000 0.480 6060 K N 0.320 120.643 120.400 -0.129 0.000 2.173 6060 K HA -0.278 4.042 4.320 -0.000 0.000 0.207 6060 K C 2.005 178.431 176.600 -0.290 0.000 1.046 6060 K CA 1.635 57.790 56.287 -0.220 0.000 0.929 6060 K CB -0.455 31.968 32.500 -0.128 0.000 0.720 6060 K HN 0.423 nan 8.250 nan 0.000 0.453 6061 N N -0.232 118.338 118.700 -0.217 0.000 2.333 6061 N HA -0.085 4.655 4.740 -0.000 0.000 0.178 6061 N C 1.699 177.130 175.510 -0.131 0.000 1.018 6061 N CA 0.521 53.487 53.050 -0.140 0.000 0.882 6061 N CB 0.160 38.624 38.487 -0.038 0.000 0.984 6061 N HN -0.006 nan 8.380 nan 0.000 0.434 6062 S N -0.029 115.522 115.700 -0.248 0.000 2.419 6062 S HA -0.034 4.436 4.470 -0.000 0.000 0.233 6062 S C 1.930 176.329 174.600 -0.335 0.000 1.016 6062 S CA 0.573 58.627 58.200 -0.243 0.000 0.974 6062 S CB 0.004 63.026 63.200 -0.297 0.000 0.786 6062 S HN 0.141 nan 8.310 nan 0.000 0.492 6063 V N 1.475 121.051 119.914 -0.563 0.000 2.283 6063 V HA -0.080 4.040 4.120 -0.000 0.000 0.243 6063 V C 2.423 178.129 176.094 -0.648 0.000 1.039 6063 V CA 1.772 63.702 62.300 -0.616 0.000 1.016 6063 V CB -0.582 30.847 31.823 -0.658 0.000 0.650 6063 V HN 0.446 nan 8.190 nan 0.000 0.449 6064 K N -1.228 118.837 120.400 -0.558 0.000 2.127 6064 K HA -0.264 4.056 4.320 -0.000 0.000 0.208 6064 K C 1.896 177.953 176.600 -0.906 0.000 1.047 6064 K CA 2.346 58.205 56.287 -0.713 0.000 0.927 6064 K CB -0.221 31.854 32.500 -0.707 0.000 0.716 6064 K HN 0.587 nan 8.250 nan 0.000 0.450 6065 W N -1.065 119.941 121.300 -0.490 0.000 2.812 6065 W HA 0.017 4.677 4.660 0.000 0.000 0.263 6065 W C 1.775 178.266 176.519 -0.046 0.000 1.284 6065 W CA -0.157 57.009 57.345 -0.298 0.000 1.430 6065 W CB -0.038 29.304 29.460 -0.196 0.000 1.088 6065 W HN 0.136 nan 8.180 nan 0.000 0.623 6066 Y N -0.020 120.279 120.300 -0.003 0.000 2.439 6066 Y HA -0.214 4.336 4.550 -0.000 0.000 0.292 6066 Y C 2.353 178.366 175.900 0.189 0.000 1.130 6066 Y CA 1.718 59.849 58.100 0.052 0.000 1.254 6066 Y CB -0.404 37.987 38.460 -0.115 0.000 1.000 6066 Y HN -0.103 nan 8.280 nan 0.000 0.554 6067 H N -0.425 118.740 119.070 0.158 0.000 2.256 6067 H HA -0.140 4.416 4.556 -0.000 0.000 0.301 6067 H C 2.047 177.523 175.328 0.246 0.000 1.062 6067 H CA 1.913 58.054 56.048 0.155 0.000 1.283 6067 H CB -1.138 28.707 29.762 0.138 0.000 1.379 6067 H HN 0.276 nan 8.280 nan 0.000 0.493 6068 F N 1.348 121.355 119.950 0.096 0.000 2.154 6068 F HA -0.171 4.356 4.527 -0.000 0.000 0.301 6068 F C 2.103 177.940 175.800 0.060 0.000 1.087 6068 F CA 1.121 59.123 58.000 0.003 0.000 1.274 6068 F CB -0.857 38.043 39.000 -0.166 0.000 1.009 6068 F HN 0.192 nan 8.300 nan 0.000 0.485 6069 D N -1.928 118.666 120.400 0.323 0.000 2.234 6069 D HA -0.062 4.578 4.640 -0.000 0.000 0.205 6069 D C 0.743 176.987 176.300 -0.093 0.000 0.962 6069 D CA 1.126 55.231 54.000 0.175 0.000 0.855 6069 D CB -0.206 40.759 40.800 0.276 0.000 0.951 6069 D HN 0.340 nan 8.370 nan 0.000 0.500 6070 H N -0.705 118.308 119.070 -0.096 0.000 2.676 6070 H HA 0.263 4.819 4.556 -0.000 0.000 0.238 6070 H C -0.745 174.521 175.328 -0.103 0.000 1.276 6070 H CA -0.583 55.358 56.048 -0.179 0.000 0.983 6070 H CB -0.403 29.083 29.762 -0.460 0.000 2.000 6070 H HN -0.133 nan 8.280 nan 0.000 0.584 6071 N N 2.320 121.036 118.700 0.027 0.000 2.614 6071 N HA -0.231 4.509 4.740 -0.000 0.000 0.276 6071 N C -0.672 174.846 175.510 0.014 0.000 1.119 6071 N CA 0.806 53.863 53.050 0.012 0.000 0.742 6071 N CB -0.517 37.964 38.487 -0.011 0.000 0.900 6071 N HN 0.563 nan 8.380 nan 0.000 0.549 6072 D N -1.341 119.074 120.400 0.023 0.000 2.913 6072 D HA -0.281 4.359 4.640 -0.000 0.000 0.228 6072 D C 0.273 176.548 176.300 -0.042 0.000 1.180 6072 D CA 1.328 55.272 54.000 -0.093 0.000 0.761 6072 D CB -0.230 40.476 40.800 -0.156 0.000 1.085 6072 D HN 0.665 nan 8.370 nan 0.000 0.420 6073 K N 1.193 121.641 120.400 0.080 0.000 2.485 6073 K HA -0.022 4.298 4.320 -0.000 0.000 0.277 6073 K C 0.396 177.181 176.600 0.308 0.000 0.990 6073 K CA 0.216 56.594 56.287 0.152 0.000 0.994 6073 K CB 0.648 33.217 32.500 0.115 0.000 0.906 6073 K HN -0.073 nan 8.250 nan 0.000 0.488 6074 K N 3.935 124.472 120.400 0.228 0.000 2.322 6074 K HA 0.057 4.377 4.320 -0.000 0.000 0.283 6074 K C -0.516 176.209 176.600 0.207 0.000 1.042 6074 K CA -0.567 55.848 56.287 0.213 0.000 0.958 6074 K CB 0.507 33.081 32.500 0.123 0.000 0.984 6074 K HN 0.361 nan 8.250 nan 0.000 0.473 6075 L N 4.655 125.928 121.223 0.082 0.000 2.407 6075 L HA 0.070 4.410 4.340 -0.000 0.000 0.282 6075 L C -0.600 176.224 176.870 -0.076 0.000 1.110 6075 L CA 0.492 55.218 54.840 -0.190 0.000 0.863 6075 L CB 0.115 41.958 42.059 -0.360 0.000 1.207 6075 L HN 0.537 nan 8.230 nan 0.000 0.454 6076 S N 5.024 120.691 115.700 -0.055 0.000 2.593 6076 S HA -0.079 4.391 4.470 -0.000 0.000 0.300 6076 S C 1.533 176.124 174.600 -0.015 0.000 1.267 6076 S CA -0.265 57.933 58.200 -0.003 0.000 1.065 6076 S CB 0.259 63.465 63.200 0.009 0.000 0.807 6076 S HN 0.708 nan 8.310 nan 0.000 0.499 6077 I N 3.370 123.964 120.570 0.040 0.000 2.145 6077 I HA -0.309 3.861 4.170 -0.000 0.000 0.244 6077 I C 2.237 178.334 176.117 -0.034 0.000 1.075 6077 I CA 1.956 63.294 61.300 0.064 0.000 1.332 6077 I CB -0.609 37.496 38.000 0.175 0.000 1.033 6077 I HN 0.899 nan 8.210 nan 0.000 0.410 6078 N N -0.395 118.309 118.700 0.006 0.000 2.364 6078 N HA -0.154 4.586 4.740 -0.000 0.000 0.183 6078 N C 1.548 176.961 175.510 -0.162 0.000 1.022 6078 N CA 1.736 54.734 53.050 -0.087 0.000 0.883 6078 N CB -0.578 37.964 38.487 0.092 0.000 0.965 6078 N HN 0.404 nan 8.380 nan 0.000 0.438 6079 S N 0.602 116.230 115.700 -0.120 0.000 2.425 6079 S HA 0.226 4.696 4.470 -0.000 0.000 0.225 6079 S C 2.221 176.715 174.600 -0.177 0.000 1.024 6079 S CA 0.483 58.602 58.200 -0.136 0.000 0.951 6079 S CB -0.124 62.992 63.200 -0.140 0.000 0.796 6079 S HN 0.615 nan 8.310 nan 0.000 0.498 6080 A N 1.968 124.695 122.820 -0.153 0.000 1.930 6080 A HA 0.175 4.495 4.320 -0.000 0.000 0.217 6080 A C 2.340 179.807 177.584 -0.195 0.000 1.175 6080 A CA 1.554 53.570 52.037 -0.034 0.000 0.627 6080 A CB -1.095 17.989 19.000 0.141 0.000 0.815 6080 A HN 0.482 nan 8.150 nan 0.000 0.443 6081 A N 0.130 122.734 122.820 -0.361 0.000 1.873 6081 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 6081 A C 2.201 179.378 177.584 -0.678 0.000 1.193 6081 A CA 2.345 54.080 52.037 -0.504 0.000 0.629 6081 A CB -0.512 17.849 19.000 -1.064 0.000 0.826 6081 A HN 0.484 nan 8.150 nan 0.000 0.447 6082 R N 0.401 120.525 120.500 -0.626 0.000 2.120 6082 R HA -0.107 4.233 4.340 -0.000 0.000 0.234 6082 R C 2.026 178.258 176.300 -0.114 0.000 1.123 6082 R CA 1.887 57.761 56.100 -0.377 0.000 0.975 6082 R CB -0.698 29.556 30.300 -0.076 0.000 0.866 6082 R HN 0.739 nan 8.270 nan 0.000 0.446 6083 N N -0.138 118.496 118.700 -0.110 0.000 2.244 6083 N HA -0.111 4.629 4.740 -0.000 0.000 0.183 6083 N C 1.631 177.121 175.510 -0.033 0.000 1.016 6083 N CA 1.260 54.299 53.050 -0.019 0.000 0.866 6083 N CB 0.049 38.528 38.487 -0.014 0.000 0.980 6083 N HN 0.284 nan 8.380 nan 0.000 0.430 6084 I N 1.094 121.548 120.570 -0.194 0.000 2.252 6084 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 6084 I C 2.704 178.633 176.117 -0.313 0.000 1.102 6084 I CA 0.880 61.944 61.300 -0.393 0.000 1.385 6084 I CB -0.372 37.085 38.000 -0.905 0.000 1.064 6084 I HN 0.316 nan 8.210 nan 0.000 0.414 6085 Q N 0.705 120.380 119.800 -0.209 0.000 2.077 6085 Q HA -0.295 4.045 4.340 -0.000 0.000 0.206 6085 Q C 2.033 178.000 176.000 -0.055 0.000 0.989 6085 Q CA 2.105 57.880 55.803 -0.048 0.000 0.853 6085 Q CB -0.124 28.621 28.738 0.011 0.000 0.907 6085 Q HN 0.565 nan 8.270 nan 0.000 0.418 6086 H N -0.407 118.659 119.070 -0.006 0.000 2.502 6086 H HA 0.042 4.598 4.556 -0.000 0.000 0.283 6086 H C 1.798 177.159 175.328 0.055 0.000 1.015 6086 H CA 1.043 57.116 56.048 0.041 0.000 1.298 6086 H CB 0.213 29.983 29.762 0.014 0.000 1.411 6086 H HN 0.215 nan 8.280 nan 0.000 0.556 6087 L N -0.285 120.997 121.223 0.099 0.000 2.027 6087 L HA -0.161 4.179 4.340 -0.000 0.000 0.206 6087 L C 1.915 178.862 176.870 0.129 0.000 1.074 6087 L CA 1.093 55.977 54.840 0.073 0.000 0.745 6087 L CB -0.264 41.778 42.059 -0.029 0.000 0.898 6087 L HN 0.311 nan 8.230 nan 0.000 0.433 6088 L N -1.892 119.376 121.223 0.074 0.000 2.072 6088 L HA -0.248 4.092 4.340 -0.000 0.000 0.205 6088 L C 2.423 179.351 176.870 0.097 0.000 1.079 6088 L CA 1.196 56.119 54.840 0.138 0.000 0.752 6088 L CB -0.494 41.590 42.059 0.042 0.000 0.906 6088 L HN 0.199 nan 8.230 nan 0.000 0.436 6089 Y N 0.675 120.957 120.300 -0.030 0.000 2.509 6089 Y HA -0.074 4.476 4.550 -0.000 0.000 0.293 6089 Y C 2.223 178.089 175.900 -0.056 0.000 1.133 6089 Y CA 0.831 58.882 58.100 -0.083 0.000 1.283 6089 Y CB -0.223 38.155 38.460 -0.137 0.000 1.001 6089 Y HN 0.083 nan 8.280 nan 0.000 0.555 6090 G N -0.121 108.746 108.800 0.111 0.000 2.440 6090 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 6090 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 6090 G C 1.308 176.203 174.900 -0.008 0.000 1.154 6090 G CA 0.523 45.677 45.100 0.090 0.000 0.767 6090 G HN 0.273 nan 8.290 nan 0.000 0.552 6091 K N 0.399 120.754 120.400 -0.076 0.000 2.827 6091 K HA 0.178 4.498 4.320 -0.000 0.000 0.222 6091 K C 1.824 178.291 176.600 -0.222 0.000 1.114 6091 K CA -0.455 55.732 56.287 -0.167 0.000 1.206 6091 K CB 0.541 32.785 32.500 -0.427 0.000 1.035 6091 K HN 0.085 nan 8.250 nan 0.000 0.464 6092 R N 0.324 120.575 120.500 -0.415 0.000 2.127 6092 R HA -0.123 4.217 4.340 -0.000 0.000 0.238 6092 R C 0.422 176.322 176.300 -0.668 0.000 1.134 6092 R CA 1.731 57.347 56.100 -0.807 0.000 0.975 6092 R CB -0.117 29.221 30.300 -1.605 0.000 0.865 6092 R HN 0.091 nan 8.270 nan 0.000 0.447 6093 F N -0.753 119.156 119.950 -0.068 0.000 2.837 6093 F HA 0.355 4.882 4.527 0.000 0.000 0.298 6093 F C -0.279 175.613 175.800 0.153 0.000 1.161 6093 F CA -0.367 57.642 58.000 0.014 0.000 1.353 6093 F CB 0.475 39.473 39.000 -0.004 0.000 0.951 6093 F HN -0.080 nan 8.300 nan 0.000 0.508 6094 F N 0.889 120.868 119.950 0.049 0.000 3.098 6094 F HA 0.236 4.763 4.527 0.000 0.000 0.473 6094 F C -3.162 172.648 175.800 0.016 0.000 0.900 6094 F CA -2.468 55.578 58.000 0.075 0.000 1.207 6094 F CB -0.499 38.516 39.000 0.025 0.000 2.914 6094 F HN -0.152 nan 8.300 nan 0.000 0.504 6095 P HA 0.141 nan 4.420 nan 0.000 0.272 6095 P C -0.800 176.496 177.300 -0.007 0.000 1.240 6095 P CA 0.282 63.373 63.100 -0.015 0.000 0.791 6095 P CB 0.470 32.197 31.700 0.045 0.000 0.978 6096 Y N -0.139 120.209 120.300 0.081 0.000 2.531 6096 Y HA 0.093 4.643 4.550 -0.000 0.000 0.347 6096 Y C 0.694 176.689 175.900 0.159 0.000 1.024 6096 Y CA 0.248 58.419 58.100 0.118 0.000 1.306 6096 Y CB -0.661 37.803 38.460 0.008 0.000 1.149 6096 Y HN 0.323 nan 8.280 nan 0.000 0.527 6097 Y N 5.070 125.526 120.300 0.260 0.000 2.604 6097 Y HA 0.365 4.915 4.550 -0.000 0.000 0.341 6097 Y C -0.193 175.801 175.900 0.156 0.000 1.249 6097 Y CA -0.694 57.448 58.100 0.070 0.000 1.926 6097 Y CB -0.455 37.913 38.460 -0.152 0.000 1.941 6097 Y HN 0.312 nan 8.280 nan 0.000 0.426 6098 V N 1.086 120.997 119.914 -0.005 0.000 2.733 6098 V HA 0.368 4.488 4.120 -0.000 0.000 0.306 6098 V C -1.040 175.037 176.094 -0.029 0.000 1.084 6098 V CA -1.167 61.132 62.300 -0.001 0.000 0.905 6098 V CB 1.360 33.210 31.823 0.046 0.000 1.010 6098 V HN 0.516 nan 8.190 nan 0.000 0.424 6099 H N 2.792 121.811 119.070 -0.084 0.000 2.690 6099 H HA 0.690 5.246 4.556 -0.000 0.000 0.314 6099 H C 0.014 175.357 175.328 0.025 0.000 1.069 6099 H CA 1.077 57.109 56.048 -0.027 0.000 1.436 6099 H CB 1.211 30.948 29.762 -0.041 0.000 1.462 6099 H HN 1.166 nan 8.280 nan 0.000 0.511 6100 T N 5.871 120.287 114.554 -0.230 0.000 2.886 6100 T HA 0.537 4.887 4.350 -0.000 0.000 0.292 6100 T C -0.974 173.772 174.700 0.077 0.000 1.012 6100 T CA -0.788 61.283 62.100 -0.048 0.000 0.982 6100 T CB 0.411 69.210 68.868 -0.115 0.000 1.018 6100 T HN 0.564 nan 8.240 nan 0.000 0.451 6101 I N 5.898 126.531 120.570 0.106 0.000 2.582 6101 I HA 0.558 4.728 4.170 -0.000 0.000 0.292 6101 I C -0.256 175.934 176.117 0.123 0.000 1.066 6101 I CA -1.292 60.097 61.300 0.147 0.000 1.053 6101 I CB 2.115 40.188 38.000 0.121 0.000 1.241 6101 I HN 0.706 nan 8.210 nan 0.000 0.421 6102 I N 2.364 123.037 120.570 0.171 0.000 2.740 6102 I HA 1.005 5.175 4.170 -0.000 0.000 0.303 6102 I C -0.822 175.369 176.117 0.124 0.000 1.044 6102 I CA -0.583 60.780 61.300 0.106 0.000 1.064 6102 I CB 2.249 40.283 38.000 0.057 0.000 1.249 6102 I HN 0.618 nan 8.210 nan 0.000 0.433 6103 A N 2.931 125.806 122.820 0.092 0.000 2.486 6103 A HA 0.977 5.297 4.320 -0.000 0.000 0.300 6103 A C -0.387 177.246 177.584 0.081 0.000 1.048 6103 A CA 0.079 52.163 52.037 0.078 0.000 0.696 6103 A CB 1.576 20.605 19.000 0.048 0.000 1.278 6103 A HN 1.365 nan 8.150 nan 0.000 0.405 6104 G N -0.224 108.621 108.800 0.076 0.000 2.562 6104 G HA2 0.523 4.483 3.960 -0.000 0.000 0.190 6104 G HA3 0.523 4.483 3.960 -0.000 0.000 0.190 6104 G C -1.802 173.135 174.900 0.062 0.000 1.196 6104 G CA -0.523 44.624 45.100 0.078 0.000 0.986 6104 G HN 0.892 nan 8.290 nan 0.000 0.512 6105 L N 2.077 123.343 121.223 0.071 0.000 2.362 6105 L HA 0.396 4.736 4.340 -0.000 0.000 0.275 6105 L C -0.646 176.264 176.870 0.067 0.000 0.998 6105 L CA -1.072 53.802 54.840 0.057 0.000 0.820 6105 L CB 1.975 44.070 42.059 0.060 0.000 1.270 6105 L HN 0.790 nan 8.230 nan 0.000 0.415 6106 D N 1.233 121.666 120.400 0.055 0.000 2.360 6106 D HA -0.016 4.624 4.640 -0.000 0.000 0.242 6106 D C 0.595 176.927 176.300 0.055 0.000 1.184 6106 D CA -0.362 53.680 54.000 0.069 0.000 0.930 6106 D CB 0.832 41.665 40.800 0.056 0.000 1.161 6106 D HN 0.534 nan 8.370 nan 0.000 0.447 6107 E N -0.771 119.464 120.200 0.057 0.000 2.393 6107 E HA -0.169 4.181 4.350 -0.000 0.000 0.201 6107 E C 0.332 176.955 176.600 0.039 0.000 1.025 6107 E CA 0.897 57.326 56.400 0.049 0.000 0.856 6107 E CB 0.073 29.803 29.700 0.050 0.000 0.771 6107 E HN 0.391 nan 8.360 nan 0.000 0.526 6108 D N -1.446 118.973 120.400 0.032 0.000 2.360 6108 D HA 0.076 4.716 4.640 -0.000 0.000 0.210 6108 D C 1.251 177.565 176.300 0.024 0.000 1.047 6108 D CA 0.764 54.778 54.000 0.023 0.000 0.854 6108 D CB 0.835 41.642 40.800 0.013 0.000 0.936 6108 D HN 0.271 nan 8.370 nan 0.000 0.514 6109 G N 0.430 109.248 108.800 0.030 0.000 2.234 6109 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.235 6109 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.235 6109 G C 0.499 175.418 174.900 0.032 0.000 0.997 6109 G CA -0.162 44.959 45.100 0.036 0.000 0.623 6109 G HN 0.150 nan 8.290 nan 0.000 0.514 6110 K N 1.382 121.788 120.400 0.010 0.000 2.219 6110 K HA 0.485 4.805 4.320 -0.000 0.000 0.258 6110 K C 1.048 177.627 176.600 -0.036 0.000 1.008 6110 K CA 0.263 56.539 56.287 -0.019 0.000 0.928 6110 K CB 0.365 32.836 32.500 -0.049 0.000 0.983 6110 K HN 0.446 nan 8.250 nan 0.000 0.484 6111 G N -0.231 108.517 108.800 -0.085 0.000 2.467 6111 G HA2 0.471 4.431 3.960 -0.000 0.000 0.257 6111 G HA3 0.471 4.431 3.960 -0.000 0.000 0.257 6111 G C -0.858 173.961 174.900 -0.135 0.000 1.227 6111 G CA -0.333 44.695 45.100 -0.119 0.000 0.835 6111 G HN 0.581 nan 8.290 nan 0.000 0.556 6112 A N 0.627 123.383 122.820 -0.108 0.000 2.515 6112 A HA 0.764 5.084 4.320 -0.000 0.000 0.298 6112 A C -1.135 176.359 177.584 -0.150 0.000 1.059 6112 A CA -0.511 51.431 52.037 -0.159 0.000 0.698 6112 A CB 2.200 21.142 19.000 -0.096 0.000 1.289 6112 A HN 1.129 nan 8.150 nan 0.000 0.404 6113 V N 1.701 121.450 119.914 -0.275 0.000 2.760 6113 V HA 0.514 4.634 4.120 -0.000 0.000 0.309 6113 V C -1.592 174.287 176.094 -0.359 0.000 1.077 6113 V CA -0.396 61.792 62.300 -0.187 0.000 0.910 6113 V CB 1.791 33.543 31.823 -0.119 0.000 1.008 6113 V HN 0.834 nan 8.190 nan 0.000 0.424 6114 Y N 1.918 122.177 120.300 -0.069 0.000 2.446 6114 Y HA 0.672 5.222 4.550 -0.000 0.000 0.345 6114 Y C 0.441 176.173 175.900 -0.280 0.000 0.984 6114 Y CA -0.364 57.626 58.100 -0.183 0.000 1.058 6114 Y CB 2.334 40.687 38.460 -0.178 0.000 1.220 6114 Y HN 0.615 nan 8.280 nan 0.000 0.455 6115 S N 2.747 118.280 115.700 -0.278 0.000 2.568 6115 S HA 0.819 5.289 4.470 -0.000 0.000 0.302 6115 S C -1.460 172.755 174.600 -0.642 0.000 1.082 6115 S CA -0.403 57.610 58.200 -0.312 0.000 1.009 6115 S CB 0.578 63.726 63.200 -0.087 0.000 1.069 6115 S HN 0.422 nan 8.310 nan 0.000 0.500 6116 F N 1.192 120.983 119.950 -0.265 0.000 2.576 6116 F HA 0.447 4.974 4.527 -0.000 0.000 0.313 6116 F C 0.508 176.153 175.800 -0.258 0.000 1.078 6116 F CA -0.919 56.968 58.000 -0.188 0.000 0.921 6116 F CB 1.416 40.317 39.000 -0.165 0.000 1.232 6116 F HN 0.490 nan 8.300 nan 0.000 0.459 6117 D N 2.077 122.536 120.400 0.098 0.000 2.346 6117 D HA 0.160 4.800 4.640 -0.000 0.000 0.249 6117 D C -1.599 174.727 176.300 0.045 0.000 1.308 6117 D CA -1.259 52.778 54.000 0.063 0.000 0.987 6117 D CB 0.421 41.269 40.800 0.081 0.000 1.114 6117 D HN 0.181 nan 8.370 nan 0.000 0.529 6118 P HA -0.002 nan 4.420 nan 0.000 0.240 6118 P C 0.722 178.041 177.300 0.032 0.000 1.190 6118 P CA 0.558 63.663 63.100 0.008 0.000 0.781 6118 P CB 0.332 31.998 31.700 -0.056 0.000 0.931 6119 V N -5.965 113.969 119.914 0.033 0.000 3.477 6119 V HA 0.629 4.749 4.120 -0.000 0.000 0.297 6119 V C 1.240 177.427 176.094 0.155 0.000 1.433 6119 V CA 0.317 62.627 62.300 0.016 0.000 1.052 6119 V CB -0.520 31.265 31.823 -0.063 0.000 0.895 6119 V HN 0.206 nan 8.190 nan 0.000 0.438 6120 G N 0.433 109.337 108.800 0.174 0.000 2.148 6120 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.203 6120 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.203 6120 G C 0.236 175.306 174.900 0.283 0.000 0.993 6120 G CA 0.229 45.477 45.100 0.248 0.000 0.661 6120 G HN 0.970 nan 8.290 nan 0.000 0.518 6121 S N 0.577 116.397 115.700 0.199 0.000 2.525 6121 S HA 0.494 4.964 4.470 -0.000 0.000 0.285 6121 S C 0.175 174.872 174.600 0.161 0.000 1.283 6121 S CA 0.338 58.619 58.200 0.134 0.000 1.072 6121 S CB -0.089 63.148 63.200 0.062 0.000 0.867 6121 S HN 1.510 nan 8.310 nan 0.000 0.492 6122 Y N 2.192 122.457 120.300 -0.059 0.000 2.409 6122 Y HA 0.865 5.415 4.550 -0.000 0.000 0.343 6122 Y C -0.551 175.252 175.900 -0.163 0.000 0.973 6122 Y CA -1.216 56.725 58.100 -0.264 0.000 1.064 6122 Y CB 1.165 39.381 38.460 -0.407 0.000 1.207 6122 Y HN 0.526 nan 8.280 nan 0.000 0.452 6123 E N 2.065 122.159 120.200 -0.175 0.000 2.369 6123 E HA 0.449 4.799 4.350 -0.000 0.000 0.270 6123 E C -1.481 175.074 176.600 -0.075 0.000 0.909 6123 E CA -1.159 55.143 56.400 -0.162 0.000 0.775 6123 E CB 1.917 31.527 29.700 -0.149 0.000 1.270 6123 E HN 0.731 nan 8.360 nan 0.000 0.445 6124 R N 1.736 122.159 120.500 -0.128 0.000 2.308 6124 R HA 0.352 4.691 4.340 -0.000 0.000 0.305 6124 R C -0.740 175.382 176.300 -0.297 0.000 1.053 6124 R CA -0.103 55.753 56.100 -0.406 0.000 0.957 6124 R CB 0.771 30.757 30.300 -0.523 0.000 1.022 6124 R HN 0.511 nan 8.270 nan 0.000 0.461 6125 E N 1.370 121.384 120.200 -0.310 0.000 2.312 6125 E HA 0.040 4.390 4.350 -0.000 0.000 0.267 6125 E C -0.097 176.389 176.600 -0.191 0.000 0.894 6125 E CA -0.533 55.749 56.400 -0.197 0.000 0.773 6125 E CB 2.145 31.764 29.700 -0.134 0.000 1.241 6125 E HN 0.642 nan 8.360 nan 0.000 0.432 6126 Q N 1.373 121.085 119.800 -0.147 0.000 2.062 6126 Q HA 0.030 4.370 4.340 -0.000 0.000 0.196 6126 Q C -0.262 175.679 176.000 -0.099 0.000 0.967 6126 Q CA 1.249 56.972 55.803 -0.134 0.000 0.832 6126 Q CB 0.269 28.937 28.738 -0.117 0.000 0.899 6126 Q HN 0.545 nan 8.270 nan 0.000 0.442 6127 C N -0.172 119.081 119.300 -0.077 0.000 2.832 6127 C HA 0.849 5.309 4.460 -0.000 0.000 0.383 6127 C C -1.161 173.807 174.990 -0.037 0.000 1.046 6127 C CA -1.218 57.771 59.018 -0.048 0.000 1.242 6127 C CB 0.984 28.703 27.740 -0.036 0.000 1.693 6127 C HN 0.516 nan 8.230 nan 0.000 0.497 6128 R N 2.537 123.030 120.500 -0.013 0.000 2.686 6128 R HA 0.869 5.209 4.340 -0.000 0.000 0.286 6128 R C -0.534 175.779 176.300 0.021 0.000 0.969 6128 R CA 0.209 56.312 56.100 0.004 0.000 0.898 6128 R CB 1.866 32.188 30.300 0.038 0.000 1.183 6128 R HN 1.408 nan 8.270 nan 0.000 0.456 6129 A N 1.748 124.557 122.820 -0.018 0.000 2.340 6129 A HA 0.833 5.153 4.320 -0.000 0.000 0.331 6129 A C -0.551 176.956 177.584 -0.129 0.000 1.140 6129 A CA -0.336 51.679 52.037 -0.037 0.000 0.801 6129 A CB 1.604 20.560 19.000 -0.073 0.000 1.234 6129 A HN 0.814 nan 8.150 nan 0.000 0.469 6130 G N -0.992 107.736 108.800 -0.120 0.000 2.605 6130 G HA2 0.836 4.796 3.960 -0.000 0.000 0.296 6130 G HA3 0.836 4.796 3.960 -0.000 0.000 0.296 6130 G C 0.042 174.854 174.900 -0.146 0.000 1.304 6130 G CA -0.089 44.820 45.100 -0.317 0.000 0.941 6130 G HN 2.293 nan 8.290 nan 0.000 0.475 6131 G N -1.208 107.499 108.800 -0.155 0.000 2.549 6131 G HA2 0.385 4.345 3.960 -0.000 0.000 0.404 6131 G HA3 0.385 4.345 3.960 -0.000 0.000 0.404 6131 G C 1.023 175.857 174.900 -0.109 0.000 1.292 6131 G CA 0.532 45.581 45.100 -0.085 0.000 0.935 6131 G HN 1.849 nan 8.290 nan 0.000 0.512 6132 A N -0.578 122.169 122.820 -0.122 0.000 1.873 6132 A HA 0.448 4.768 4.320 -0.000 0.000 0.215 6132 A C 2.632 180.120 177.584 -0.160 0.000 1.186 6132 A CA 3.033 55.001 52.037 -0.115 0.000 0.616 6132 A CB -0.792 18.101 19.000 -0.178 0.000 0.823 6132 A HN 2.458 nan 8.150 nan 0.000 0.442 6133 A N -0.522 122.088 122.820 -0.349 0.000 2.310 6133 A HA 0.543 4.863 4.320 -0.000 0.000 0.230 6133 A C 1.892 179.377 177.584 -0.166 0.000 1.294 6133 A CA 0.979 52.866 52.037 -0.249 0.000 0.898 6133 A CB -0.861 17.933 19.000 -0.343 0.000 0.917 6133 A HN 0.876 nan 8.150 nan 0.000 0.491 6134 A N 0.622 123.358 122.820 -0.140 0.000 1.908 6134 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 6134 A C 2.439 179.969 177.584 -0.090 0.000 1.181 6134 A CA 2.204 54.164 52.037 -0.130 0.000 0.627 6134 A CB -0.853 18.058 19.000 -0.149 0.000 0.818 6134 A HN 0.917 nan 8.150 nan 0.000 0.445 6135 S N -0.624 115.042 115.700 -0.056 0.000 2.447 6135 S HA -0.016 4.454 4.470 -0.000 0.000 0.233 6135 S C 1.315 175.904 174.600 -0.019 0.000 1.006 6135 S CA 1.304 59.487 58.200 -0.028 0.000 0.957 6135 S CB -0.314 62.882 63.200 -0.008 0.000 0.773 6135 S HN 0.270 nan 8.310 nan 0.000 0.507 6136 L N 0.326 121.530 121.223 -0.031 0.000 2.509 6136 L HA 0.416 4.756 4.340 -0.000 0.000 0.222 6136 L C 1.831 178.672 176.870 -0.049 0.000 1.123 6136 L CA 0.717 55.536 54.840 -0.035 0.000 0.856 6136 L CB -0.526 41.510 42.059 -0.039 0.000 0.985 6136 L HN 0.329 nan 8.230 nan 0.000 0.456 6137 I N -2.237 118.295 120.570 -0.063 0.000 2.899 6137 I HA -0.073 4.097 4.170 -0.000 0.000 0.257 6137 I C 2.097 178.246 176.117 0.052 0.000 1.115 6137 I CA 0.188 61.469 61.300 -0.032 0.000 1.451 6137 I CB -0.103 37.808 38.000 -0.149 0.000 1.251 6137 I HN 0.075 nan 8.210 nan 0.000 0.456 6138 M N 0.859 120.457 119.600 -0.003 0.000 2.089 6138 M HA -0.148 4.332 4.480 -0.000 0.000 0.257 6138 M C -0.313 175.993 176.300 0.010 0.000 1.071 6138 M CA 2.319 57.615 55.300 -0.007 0.000 1.096 6138 M CB -2.560 30.022 32.600 -0.031 0.000 1.330 6138 M HN 0.036 nan 8.290 nan 0.000 0.403 6139 P HA -0.185 nan 4.420 nan 0.000 0.214 6139 P C 1.733 179.070 177.300 0.062 0.000 1.163 6139 P CA 1.196 64.320 63.100 0.039 0.000 0.889 6139 P CB -0.429 31.302 31.700 0.052 0.000 0.790 6140 F N 0.075 120.005 119.950 -0.033 0.000 2.120 6140 F HA -0.214 4.313 4.527 -0.000 0.000 0.300 6140 F C 1.853 177.634 175.800 -0.031 0.000 1.095 6140 F CA 1.480 59.464 58.000 -0.027 0.000 1.249 6140 F CB -1.047 37.932 39.000 -0.034 0.000 0.995 6140 F HN -0.246 nan 8.300 nan 0.000 0.480 6141 L N 0.746 121.858 121.223 -0.185 0.000 2.027 6141 L HA -0.207 4.133 4.340 -0.000 0.000 0.206 6141 L C 2.160 178.875 176.870 -0.257 0.000 1.074 6141 L CA 1.804 56.477 54.840 -0.278 0.000 0.745 6141 L CB -1.352 40.648 42.059 -0.097 0.000 0.898 6141 L HN 0.092 nan 8.230 nan 0.000 0.433 6142 D N -0.867 119.441 120.400 -0.154 0.000 2.203 6142 D HA -0.243 4.397 4.640 -0.000 0.000 0.199 6142 D C 1.996 178.208 176.300 -0.146 0.000 0.997 6142 D CA 1.227 55.150 54.000 -0.127 0.000 0.863 6142 D CB -0.157 40.602 40.800 -0.068 0.000 0.928 6142 D HN 0.471 nan 8.370 nan 0.000 0.458 6143 N N -0.305 118.296 118.700 -0.167 0.000 2.278 6143 N HA -0.083 4.657 4.740 -0.000 0.000 0.181 6143 N C 1.255 176.685 175.510 -0.134 0.000 1.023 6143 N CA 0.468 53.452 53.050 -0.111 0.000 0.862 6143 N CB 0.299 38.746 38.487 -0.066 0.000 1.003 6143 N HN 0.033 nan 8.380 nan 0.000 0.431 6144 Q N 0.225 119.820 119.800 -0.343 0.000 2.392 6144 Q HA 0.125 4.465 4.340 -0.000 0.000 0.203 6144 Q C 1.434 177.196 176.000 -0.398 0.000 0.917 6144 Q CA 0.202 55.828 55.803 -0.296 0.000 0.939 6144 Q CB 1.193 29.611 28.738 -0.535 0.000 1.063 6144 Q HN 0.275 nan 8.270 nan 0.000 0.516 6145 V N 0.535 120.139 119.914 -0.516 0.000 3.013 6145 V HA 0.046 4.166 4.120 -0.000 0.000 0.238 6145 V C 0.992 176.634 176.094 -0.753 0.000 1.161 6145 V CA 0.620 62.573 62.300 -0.578 0.000 1.170 6145 V CB 0.272 31.902 31.823 -0.322 0.000 0.917 6145 V HN 0.219 nan 8.190 nan 0.000 0.478 6146 N N 0.174 118.560 118.700 -0.524 0.000 2.230 6146 N HA 0.125 4.865 4.740 -0.000 0.000 0.202 6146 N C -0.083 175.257 175.510 -0.283 0.000 1.119 6146 N CA -0.073 52.754 53.050 -0.372 0.000 0.851 6146 N CB 0.197 38.575 38.487 -0.182 0.000 0.990 6146 N HN 0.347 nan 8.380 nan 0.000 0.497 6147 F N 0.697 120.601 119.950 -0.077 0.000 2.783 6147 F HA -0.277 4.249 4.527 -0.000 0.000 0.222 6147 F C 0.714 176.463 175.800 -0.085 0.000 1.028 6147 F CA 0.327 58.279 58.000 -0.081 0.000 0.862 6147 F CB -1.862 37.094 39.000 -0.073 0.000 0.744 6147 F HN -0.159 nan 8.300 nan 0.000 0.850 6148 K N 0.428 120.851 120.400 0.040 0.000 2.168 6148 K HA 0.208 4.528 4.320 -0.000 0.000 0.258 6148 K C 1.149 177.773 176.600 0.040 0.000 1.010 6148 K CA -0.194 56.099 56.287 0.010 0.000 0.929 6148 K CB 0.444 32.936 32.500 -0.013 0.000 0.998 6148 K HN 0.443 nan 8.250 nan 0.000 0.479 6149 N N 0.298 119.027 118.700 0.048 0.000 2.690 6149 N HA -0.250 4.490 4.740 -0.000 0.000 0.249 6149 N C -0.741 174.887 175.510 0.195 0.000 1.125 6149 N CA 0.890 54.026 53.050 0.144 0.000 0.794 6149 N CB -0.415 38.141 38.487 0.114 0.000 1.152 6149 N HN 0.474 nan 8.380 nan 0.000 0.571 6150 Q N 0.034 119.884 119.800 0.082 0.000 2.307 6150 Q HA 0.405 4.745 4.340 -0.000 0.000 0.262 6150 Q C -1.035 174.949 176.000 -0.028 0.000 0.961 6150 Q CA -0.298 55.560 55.803 0.091 0.000 0.882 6150 Q CB 1.077 29.848 28.738 0.054 0.000 1.264 6150 Q HN 0.191 nan 8.270 nan 0.000 0.446 6151 Y N 0.228 120.524 120.300 -0.008 0.000 2.621 6151 Y HA 0.210 4.760 4.550 -0.000 0.000 0.334 6151 Y C 0.373 176.255 175.900 -0.031 0.000 1.074 6151 Y CA -1.003 57.089 58.100 -0.013 0.000 1.149 6151 Y CB 1.207 39.663 38.460 -0.007 0.000 1.302 6151 Y HN 0.413 nan 8.280 nan 0.000 0.501 6152 E N 2.853 123.123 120.200 0.115 0.000 2.290 6152 E HA 0.187 4.537 4.350 -0.000 0.000 0.277 6152 E C -2.448 174.188 176.600 0.060 0.000 1.035 6152 E CA -1.796 54.632 56.400 0.046 0.000 0.873 6152 E CB 0.526 30.240 29.700 0.024 0.000 1.029 6152 E HN 0.253 nan 8.360 nan 0.000 0.419 6153 P HA -0.023 nan 4.420 nan 0.000 0.265 6153 P C 0.517 177.826 177.300 0.015 0.000 1.187 6153 P CA 0.509 63.621 63.100 0.019 0.000 0.766 6153 P CB 0.425 32.126 31.700 0.003 0.000 0.820 6154 G N 2.386 111.192 108.800 0.009 0.000 2.283 6154 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.280 6154 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.280 6154 G C 0.563 175.468 174.900 0.010 0.000 1.029 6154 G CA 0.725 45.827 45.100 0.004 0.000 0.840 6154 G HN 0.732 nan 8.290 nan 0.000 0.505 6155 T N -3.016 111.552 114.554 0.022 0.000 3.174 6155 T HA 0.324 4.674 4.350 -0.000 0.000 0.269 6155 T C 1.216 175.929 174.700 0.021 0.000 1.017 6155 T CA 0.812 62.930 62.100 0.029 0.000 0.899 6155 T CB 0.027 68.927 68.868 0.053 0.000 1.077 6155 T HN 1.069 nan 8.240 nan 0.000 0.552 6156 N N 1.515 120.212 118.700 -0.004 0.000 1.910 6156 N HA -0.243 4.497 4.740 -0.000 0.000 0.214 6156 N C 0.869 176.325 175.510 -0.090 0.000 1.113 6156 N CA 2.132 55.161 53.050 -0.035 0.000 3.595 6156 N CB -1.477 36.996 38.487 -0.024 0.000 0.733 6156 N HN 1.275 nan 8.380 nan 0.000 0.352 6157 G N 0.010 108.769 108.800 -0.067 0.000 2.370 6157 G HA2 0.022 3.982 3.960 -0.000 0.000 0.225 6157 G HA3 0.022 3.982 3.960 -0.000 0.000 0.225 6157 G C 0.337 175.253 174.900 0.028 0.000 1.109 6157 G CA 0.412 45.364 45.100 -0.246 0.000 0.871 6157 G HN 0.376 nan 8.290 nan 0.000 0.498 6158 K N -0.503 120.006 120.400 0.181 0.000 2.474 6158 K HA 0.332 4.652 4.320 -0.000 0.000 0.204 6158 K C 0.706 177.413 176.600 0.178 0.000 1.220 6158 K CA 0.255 56.645 56.287 0.172 0.000 0.966 6158 K CB 1.429 33.976 32.500 0.078 0.000 1.049 6158 K HN 0.338 nan 8.250 nan 0.000 0.554 6159 V N 4.233 124.257 119.914 0.184 0.000 2.328 6159 V HA 0.212 4.332 4.120 -0.000 0.000 0.278 6159 V C 0.133 176.224 176.094 -0.005 0.000 1.021 6159 V CA -0.937 61.408 62.300 0.076 0.000 0.838 6159 V CB 1.225 33.077 31.823 0.048 0.000 0.999 6159 V HN 0.048 nan 8.190 nan 0.000 0.447 6160 K N 3.450 123.754 120.400 -0.159 0.000 2.355 6160 K HA 0.182 4.502 4.320 -0.000 0.000 0.270 6160 K C 0.253 176.741 176.600 -0.188 0.000 1.003 6160 K CA -0.447 55.621 56.287 -0.365 0.000 0.957 6160 K CB 1.031 33.345 32.500 -0.311 0.000 0.939 6160 K HN 0.534 nan 8.250 nan 0.000 0.482 6161 K N 4.284 124.570 120.400 -0.191 0.000 2.447 6161 K HA 0.029 4.349 4.320 -0.000 0.000 0.281 6161 K C -2.028 174.522 176.600 -0.083 0.000 1.031 6161 K CA -1.178 55.027 56.287 -0.138 0.000 1.019 6161 K CB 0.291 32.679 32.500 -0.188 0.000 0.918 6161 K HN 0.297 nan 8.250 nan 0.000 0.476 6162 P HA -0.035 nan 4.420 nan 0.000 0.267 6162 P C -0.459 176.902 177.300 0.101 0.000 1.209 6162 P CA 0.029 63.129 63.100 -0.000 0.000 0.763 6162 P CB 0.498 32.186 31.700 -0.021 0.000 0.816 6163 L N 3.695 125.032 121.223 0.190 0.000 2.477 6163 L HA 0.083 4.422 4.340 -0.000 0.000 0.272 6163 L C 1.218 178.265 176.870 0.294 0.000 1.157 6163 L CA 0.593 55.630 54.840 0.329 0.000 0.889 6163 L CB -0.041 42.123 42.059 0.177 0.000 1.158 6163 L HN 0.374 nan 8.230 nan 0.000 0.473 6164 K N 3.182 123.846 120.400 0.439 0.000 2.139 6164 K HA 0.353 4.673 4.320 -0.000 0.000 0.243 6164 K C -1.414 175.380 176.600 0.324 0.000 0.983 6164 K CA -0.671 55.794 56.287 0.296 0.000 0.890 6164 K CB 1.154 33.800 32.500 0.243 0.000 1.090 6164 K HN 0.345 nan 8.250 nan 0.000 0.445 6165 Y N 1.597 121.954 120.300 0.095 0.000 2.409 6165 Y HA 0.358 4.908 4.550 -0.000 0.000 0.339 6165 Y C -0.796 175.167 175.900 0.105 0.000 1.033 6165 Y CA -0.914 57.235 58.100 0.082 0.000 1.094 6165 Y CB 1.264 39.760 38.460 0.060 0.000 1.210 6165 Y HN 0.342 nan 8.280 nan 0.000 0.456 6166 L N 3.608 124.546 121.223 -0.474 0.000 2.317 6166 L HA 0.512 4.852 4.340 -0.000 0.000 0.281 6166 L C 0.059 176.915 176.870 -0.022 0.000 1.024 6166 L CA -0.935 53.758 54.840 -0.245 0.000 0.810 6166 L CB 1.563 43.393 42.059 -0.381 0.000 1.240 6166 L HN 0.577 nan 8.230 nan 0.000 0.427 6167 S N 0.727 116.400 115.700 -0.045 0.000 2.563 6167 S HA 0.020 4.490 4.470 -0.000 0.000 0.284 6167 S C 1.201 175.666 174.600 -0.226 0.000 1.331 6167 S CA -0.488 57.637 58.200 -0.124 0.000 1.047 6167 S CB 1.405 64.544 63.200 -0.101 0.000 0.859 6167 S HN 0.546 nan 8.310 nan 0.000 0.514 6168 V N 1.875 121.406 119.914 -0.638 0.000 2.527 6168 V HA -0.228 3.892 4.120 -0.000 0.000 0.255 6168 V C 2.103 178.082 176.094 -0.193 0.000 1.081 6168 V CA 2.435 64.321 62.300 -0.690 0.000 1.092 6168 V CB -0.977 30.317 31.823 -0.881 0.000 0.673 6168 V HN 0.951 nan 8.190 nan 0.000 0.470 6169 E N -0.404 119.705 120.200 -0.150 0.000 2.208 6169 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 6169 E C 2.117 178.698 176.600 -0.033 0.000 0.988 6169 E CA 1.248 57.610 56.400 -0.065 0.000 0.828 6169 E CB -0.046 29.619 29.700 -0.058 0.000 0.763 6169 E HN 0.712 nan 8.360 nan 0.000 0.478 6170 E N -0.369 119.810 120.200 -0.035 0.000 2.051 6170 E HA -0.081 4.269 4.350 -0.000 0.000 0.189 6170 E C 1.900 178.506 176.600 0.010 0.000 0.979 6170 E CA 0.603 56.994 56.400 -0.015 0.000 0.803 6170 E CB 0.143 29.825 29.700 -0.029 0.000 0.761 6170 E HN -0.002 nan 8.360 nan 0.000 0.451 6171 V N 1.029 120.966 119.914 0.038 0.000 2.324 6171 V HA -0.299 3.821 4.120 -0.000 0.000 0.250 6171 V C 2.238 178.391 176.094 0.099 0.000 1.060 6171 V CA 1.764 64.117 62.300 0.088 0.000 1.042 6171 V CB -0.427 31.524 31.823 0.214 0.000 0.650 6171 V HN 0.339 nan 8.190 nan 0.000 0.450 6172 I N -0.619 120.004 120.570 0.088 0.000 2.264 6172 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 6172 I C 2.569 178.701 176.117 0.024 0.000 1.111 6172 I CA 1.654 62.998 61.300 0.075 0.000 1.382 6172 I CB -0.332 37.710 38.000 0.070 0.000 1.060 6172 I HN 0.311 nan 8.210 nan 0.000 0.418 6173 K N 0.500 120.905 120.400 0.009 0.000 1.991 6173 K HA -0.197 4.123 4.320 -0.000 0.000 0.212 6173 K C 2.055 178.694 176.600 0.063 0.000 1.049 6173 K CA 1.467 57.755 56.287 0.001 0.000 0.932 6173 K CB -0.390 32.114 32.500 0.007 0.000 0.717 6173 K HN 0.302 nan 8.250 nan 0.000 0.441 6174 L N 0.863 122.149 121.223 0.104 0.000 2.083 6174 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 6174 L C 2.454 179.471 176.870 0.244 0.000 1.083 6174 L CA 0.780 55.740 54.840 0.201 0.000 0.752 6174 L CB -0.558 41.574 42.059 0.121 0.000 0.899 6174 L HN 0.022 nan 8.230 nan 0.000 0.433 6175 V N 0.815 120.847 119.914 0.197 0.000 2.261 6175 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 6175 V C 2.458 178.747 176.094 0.324 0.000 1.047 6175 V CA 2.245 64.715 62.300 0.283 0.000 1.015 6175 V CB -0.679 31.288 31.823 0.239 0.000 0.642 6175 V HN 0.610 nan 8.190 nan 0.000 0.446 6176 R N -0.139 120.449 120.500 0.147 0.000 2.339 6176 R HA -0.030 4.310 4.340 -0.000 0.000 0.199 6176 R C 0.901 177.238 176.300 0.060 0.000 1.018 6176 R CA 1.223 57.367 56.100 0.074 0.000 1.036 6176 R CB -0.298 29.911 30.300 -0.151 0.000 0.899 6176 R HN 0.397 nan 8.270 nan 0.000 0.473 6177 D N 0.121 120.564 120.400 0.073 0.000 2.422 6177 D HA 0.100 4.740 4.640 -0.000 0.000 0.218 6177 D C 1.379 177.598 176.300 -0.136 0.000 1.047 6177 D CA 0.406 54.392 54.000 -0.023 0.000 0.885 6177 D CB 0.422 41.215 40.800 -0.013 0.000 1.035 6177 D HN 0.073 nan 8.370 nan 0.000 0.502 6178 S N 0.207 115.890 115.700 -0.030 0.000 2.368 6178 S HA -0.105 4.365 4.470 -0.000 0.000 0.225 6178 S C 1.698 176.174 174.600 -0.207 0.000 1.030 6178 S CA 0.874 58.978 58.200 -0.161 0.000 0.999 6178 S CB -0.223 62.983 63.200 0.011 0.000 0.844 6178 S HN 0.195 nan 8.310 nan 0.000 0.459 6179 F N 2.108 122.030 119.950 -0.047 0.000 2.098 6179 F HA -0.091 4.436 4.527 -0.000 0.000 0.294 6179 F C 2.981 178.754 175.800 -0.045 0.000 1.107 6179 F CA 1.435 59.417 58.000 -0.031 0.000 1.234 6179 F CB -1.349 37.654 39.000 0.005 0.000 1.002 6179 F HN 0.212 nan 8.300 nan 0.000 0.472 6180 T N -2.690 111.931 114.554 0.113 0.000 2.803 6180 T HA -0.189 4.161 4.350 -0.000 0.000 0.269 6180 T C 2.100 176.788 174.700 -0.021 0.000 1.052 6180 T CA 1.482 63.603 62.100 0.035 0.000 1.136 6180 T CB -0.762 68.106 68.868 -0.001 0.000 0.864 6180 T HN 0.120 nan 8.240 nan 0.000 0.467 6181 S N 1.866 117.514 115.700 -0.087 0.000 2.336 6181 S HA 0.105 4.575 4.470 -0.000 0.000 0.214 6181 S C 2.722 177.271 174.600 -0.085 0.000 1.032 6181 S CA 0.988 59.111 58.200 -0.129 0.000 1.001 6181 S CB -1.048 61.997 63.200 -0.258 0.000 0.953 6181 S HN 0.721 nan 8.310 nan 0.000 0.430 6182 A N 1.145 123.898 122.820 -0.112 0.000 1.940 6182 A HA -0.216 4.104 4.320 -0.000 0.000 0.221 6182 A C 2.254 179.847 177.584 0.014 0.000 1.190 6182 A CA 2.430 54.425 52.037 -0.071 0.000 0.647 6182 A CB -1.629 17.269 19.000 -0.170 0.000 0.821 6182 A HN 0.532 nan 8.150 nan 0.000 0.457 6183 T N -0.127 114.447 114.554 0.033 0.000 2.803 6183 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 6183 T C 1.729 176.465 174.700 0.060 0.000 1.052 6183 T CA 1.525 63.667 62.100 0.070 0.000 1.136 6183 T CB -0.221 68.695 68.868 0.079 0.000 0.864 6183 T HN 0.559 nan 8.240 nan 0.000 0.467 6184 E N 0.834 121.053 120.200 0.031 0.000 2.072 6184 E HA 0.012 4.362 4.350 -0.000 0.000 0.190 6184 E C 2.131 178.745 176.600 0.023 0.000 0.982 6184 E CA 0.771 57.183 56.400 0.020 0.000 0.803 6184 E CB 0.033 29.732 29.700 -0.003 0.000 0.755 6184 E HN 0.321 nan 8.360 nan 0.000 0.453 6185 R N -0.162 120.353 120.500 0.025 0.000 2.397 6185 R HA 0.178 4.518 4.340 -0.000 0.000 0.241 6185 R C 0.103 176.424 176.300 0.035 0.000 0.914 6185 R CA 0.022 56.133 56.100 0.017 0.000 1.071 6185 R CB 0.140 30.440 30.300 0.000 0.000 1.116 6185 R HN 0.188 nan 8.270 nan 0.000 0.524 6186 H N 0.187 119.252 119.070 -0.009 0.000 2.547 6186 H HA 0.235 4.791 4.556 -0.000 0.000 0.342 6186 H C 1.380 176.716 175.328 0.013 0.000 1.048 6186 H CA -0.387 55.659 56.048 -0.003 0.000 1.204 6186 H CB 1.259 31.011 29.762 -0.017 0.000 1.493 6186 H HN -0.050 nan 8.280 nan 0.000 0.511 6187 I N 0.773 121.420 120.570 0.129 0.000 3.419 6187 I HA 0.057 4.227 4.170 -0.000 0.000 0.286 6187 I C 1.355 177.577 176.117 0.176 0.000 1.268 6187 I CA 0.568 61.941 61.300 0.122 0.000 1.414 6187 I CB 0.104 38.144 38.000 0.067 0.000 1.074 6187 I HN 0.516 nan 8.210 nan 0.000 0.457 6188 Q N 0.919 120.931 119.800 0.353 0.000 2.360 6188 Q HA 0.267 4.607 4.340 -0.000 0.000 0.202 6188 Q C -0.175 175.880 176.000 0.091 0.000 0.915 6188 Q CA 0.041 55.967 55.803 0.206 0.000 0.943 6188 Q CB 0.953 29.822 28.738 0.218 0.000 1.064 6188 Q HN 0.375 nan 8.270 nan 0.000 0.511 6189 V N -0.098 119.879 119.914 0.106 0.000 2.459 6189 V HA 0.825 4.945 4.120 -0.000 0.000 0.295 6189 V C 0.302 176.461 176.094 0.108 0.000 1.029 6189 V CA -0.125 62.219 62.300 0.074 0.000 0.874 6189 V CB 1.491 33.332 31.823 0.030 0.000 0.985 6189 V HN 0.342 nan 8.190 nan 0.000 0.438 6190 G N 2.527 111.396 108.800 0.115 0.000 2.323 6190 G HA2 0.470 4.430 3.960 -0.000 0.000 0.291 6190 G HA3 0.470 4.430 3.960 -0.000 0.000 0.291 6190 G C -0.749 174.220 174.900 0.115 0.000 1.278 6190 G CA 0.376 45.543 45.100 0.111 0.000 0.860 6190 G HN 0.524 nan 8.290 nan 0.000 0.504 6191 D N -1.598 118.868 120.400 0.111 0.000 3.732 6191 D HA -0.121 4.519 4.640 -0.000 0.000 0.208 6191 D C 0.809 177.217 176.300 0.180 0.000 1.153 6191 D CA 3.205 57.284 54.000 0.132 0.000 2.311 6191 D CB -1.457 39.421 40.800 0.131 0.000 1.212 6191 D HN 1.901 nan 8.370 nan 0.000 0.459 6192 G N -0.212 108.714 108.800 0.210 0.000 2.720 6192 G HA2 0.553 4.513 3.960 -0.000 0.000 0.295 6192 G HA3 0.553 4.513 3.960 -0.000 0.000 0.295 6192 G C -2.095 172.950 174.900 0.242 0.000 1.437 6192 G CA -0.366 44.946 45.100 0.353 0.000 0.886 6192 G HN 0.273 nan 8.290 nan 0.000 0.509 6193 L N 0.525 121.881 121.223 0.221 0.000 2.372 6193 L HA 0.744 5.084 4.340 -0.000 0.000 0.274 6193 L C -0.393 176.590 176.870 0.189 0.000 0.988 6193 L CA -0.581 54.269 54.840 0.017 0.000 0.833 6193 L CB 1.819 43.792 42.059 -0.143 0.000 1.236 6193 L HN 0.604 nan 8.230 nan 0.000 0.410 6194 E N 5.139 125.385 120.200 0.077 0.000 2.187 6194 E HA 0.595 4.945 4.350 -0.000 0.000 0.268 6194 E C -1.410 175.178 176.600 -0.020 0.000 0.896 6194 E CA -0.598 55.856 56.400 0.091 0.000 0.766 6194 E CB 1.372 31.070 29.700 -0.002 0.000 1.142 6194 E HN 0.652 nan 8.360 nan 0.000 0.408 6195 I N 4.330 124.908 120.570 0.013 0.000 2.465 6195 I HA 0.278 4.448 4.170 -0.000 0.000 0.291 6195 I C -1.011 175.121 176.117 0.025 0.000 1.014 6195 I CA -1.074 60.238 61.300 0.021 0.000 1.093 6195 I CB 1.318 39.363 38.000 0.076 0.000 1.267 6195 I HN 0.329 nan 8.210 nan 0.000 0.431 6196 L N 6.940 128.179 121.223 0.027 0.000 2.307 6196 L HA 0.552 4.892 4.340 -0.000 0.000 0.282 6196 L C -0.280 176.634 176.870 0.074 0.000 1.051 6196 L CA -0.261 54.603 54.840 0.039 0.000 0.804 6196 L CB 1.287 43.364 42.059 0.029 0.000 1.197 6196 L HN 0.389 nan 8.230 nan 0.000 0.431 6197 I N 3.538 124.157 120.570 0.083 0.000 2.447 6197 I HA 0.404 4.574 4.170 -0.000 0.000 0.287 6197 I C -0.837 175.350 176.117 0.116 0.000 1.023 6197 I CA -0.850 60.522 61.300 0.120 0.000 1.083 6197 I CB 1.973 40.043 38.000 0.116 0.000 1.245 6197 I HN 0.100 nan 8.210 nan 0.000 0.434 6198 V N 5.166 125.164 119.914 0.141 0.000 2.370 6198 V HA 0.532 4.652 4.120 -0.000 0.000 0.279 6198 V C 0.351 176.541 176.094 0.161 0.000 1.029 6198 V CA -0.258 62.117 62.300 0.126 0.000 0.870 6198 V CB 1.352 33.238 31.823 0.104 0.000 0.984 6198 V HN 0.900 nan 8.190 nan 0.000 0.451 6199 T N 1.437 116.067 114.554 0.127 0.000 2.883 6199 T HA 0.410 4.760 4.350 -0.000 0.000 0.284 6199 T C 0.856 175.613 174.700 0.095 0.000 1.041 6199 T CA -0.814 61.363 62.100 0.129 0.000 1.007 6199 T CB 1.661 70.586 68.868 0.094 0.000 1.220 6199 T HN 0.655 nan 8.240 nan 0.000 0.552 6200 K N 0.040 120.491 120.400 0.085 0.000 2.442 6200 K HA -0.049 4.270 4.320 -0.000 0.000 0.198 6200 K C 0.672 177.305 176.600 0.055 0.000 1.042 6200 K CA 1.202 57.529 56.287 0.066 0.000 0.958 6200 K CB -0.172 32.363 32.500 0.059 0.000 0.766 6200 K HN 0.382 nan 8.250 nan 0.000 0.474 6201 D N 0.893 121.325 120.400 0.053 0.000 2.347 6201 D HA 0.075 4.715 4.640 -0.000 0.000 0.213 6201 D C 0.966 177.292 176.300 0.044 0.000 0.985 6201 D CA 1.124 55.149 54.000 0.043 0.000 0.879 6201 D CB 0.733 41.554 40.800 0.035 0.000 0.919 6201 D HN 0.491 nan 8.370 nan 0.000 0.526 6202 G N -0.309 108.523 108.800 0.054 0.000 2.280 6202 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.277 6202 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.277 6202 G C -1.417 173.519 174.900 0.060 0.000 1.288 6202 G CA -0.600 44.532 45.100 0.054 0.000 1.075 6202 G HN 0.025 nan 8.290 nan 0.000 0.480 6203 V N 1.311 121.258 119.914 0.056 0.000 2.417 6203 V HA 0.754 4.874 4.120 -0.000 0.000 0.291 6203 V C 0.509 176.631 176.094 0.047 0.000 1.024 6203 V CA -0.374 61.960 62.300 0.058 0.000 0.861 6203 V CB 1.425 33.284 31.823 0.061 0.000 0.985 6203 V HN 0.914 nan 8.190 nan 0.000 0.436 6204 R N 4.217 124.745 120.500 0.047 0.000 2.637 6204 R HA 0.603 4.943 4.340 -0.000 0.000 0.291 6204 R C -0.842 175.476 176.300 0.029 0.000 0.963 6204 R CA -0.819 55.301 56.100 0.034 0.000 0.901 6204 R CB 1.591 31.911 30.300 0.032 0.000 1.160 6204 R HN 0.593 nan 8.270 nan 0.000 0.457 6205 K N 2.563 122.972 120.400 0.015 0.000 2.339 6205 K HA 0.225 4.545 4.320 -0.000 0.000 0.264 6205 K C -1.042 175.547 176.600 -0.018 0.000 0.986 6205 K CA -0.433 55.856 56.287 0.003 0.000 0.866 6205 K CB 1.784 34.282 32.500 -0.002 0.000 1.103 6205 K HN 0.549 nan 8.250 nan 0.000 0.441 6206 E N 2.217 122.394 120.200 -0.038 0.000 2.191 6206 E HA 0.357 4.707 4.350 -0.000 0.000 0.274 6206 E C -1.383 175.082 176.600 -0.226 0.000 0.948 6206 E CA -0.820 55.481 56.400 -0.164 0.000 0.802 6206 E CB 1.566 31.184 29.700 -0.136 0.000 1.137 6206 E HN 0.272 nan 8.360 nan 0.000 0.397 6207 F N 2.962 122.536 119.950 -0.627 0.000 2.561 6207 F HA 0.444 4.971 4.527 -0.000 0.000 0.313 6207 F C -1.980 173.415 175.800 -0.675 0.000 1.126 6207 F CA -0.828 56.871 58.000 -0.501 0.000 0.918 6207 F CB 0.917 39.783 39.000 -0.224 0.000 1.199 6207 F HN 0.328 nan 8.300 nan 0.000 0.444 6208 Y N 3.513 123.375 120.300 -0.730 0.000 2.425 6208 Y HA 0.421 4.971 4.550 -0.000 0.000 0.344 6208 Y C 0.098 175.534 175.900 -0.774 0.000 0.969 6208 Y CA -1.175 56.529 58.100 -0.659 0.000 1.052 6208 Y CB 1.393 39.685 38.460 -0.280 0.000 1.215 6208 Y HN 0.462 nan 8.280 nan 0.000 0.451 6209 E N 2.809 122.762 120.200 -0.412 0.000 2.390 6209 E HA 0.379 4.728 4.350 -0.000 0.000 0.261 6209 E C -0.872 175.689 176.600 -0.063 0.000 1.076 6209 E CA -0.108 56.151 56.400 -0.234 0.000 0.905 6209 E CB 1.267 30.885 29.700 -0.137 0.000 0.984 6209 E HN 0.574 nan 8.360 nan 0.000 0.427 6210 L N 1.465 122.695 121.223 0.012 0.000 2.333 6210 L HA 0.361 4.701 4.340 -0.000 0.000 0.263 6210 L C 0.256 177.157 176.870 0.052 0.000 1.014 6210 L CA -0.955 53.912 54.840 0.045 0.000 0.820 6210 L CB 1.921 44.030 42.059 0.084 0.000 1.352 6210 L HN 0.264 nan 8.230 nan 0.000 0.421 6211 K N 0.858 121.287 120.400 0.050 0.000 2.511 6211 K HA 0.013 4.333 4.320 -0.000 0.000 0.280 6211 K C 0.147 176.783 176.600 0.060 0.000 1.008 6211 K CA 0.410 56.725 56.287 0.047 0.000 1.050 6211 K CB 0.465 32.989 32.500 0.041 0.000 0.889 6211 K HN 0.423 nan 8.250 nan 0.000 0.484 6212 R N 2.171 122.705 120.500 0.056 0.000 2.568 6212 R HA 0.019 4.359 4.340 -0.000 0.000 0.288 6212 R C -0.211 176.125 176.300 0.060 0.000 1.077 6212 R CA -0.265 55.874 56.100 0.064 0.000 1.102 6212 R CB -0.149 30.187 30.300 0.061 0.000 1.278 6212 R HN 0.626 nan 8.270 nan 0.000 0.560 6213 D N 0.000 120.435 120.400 0.058 0.000 6.856 6213 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 6213 D CA 0.000 54.034 54.000 0.056 0.000 0.868 6213 D CB 0.000 40.828 40.800 0.046 0.000 0.688 6213 D HN 0.000 nan 8.370 nan 0.000 0.683